A0A077ZM40_TRITR Loading...

3Beta HSD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM40, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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
1M40Very low84.6Confident241 Ų24172.6 Ų72.6100%1.18740%0.399SS*.  0111.70-75.2173.9178.600106.6M3M1-M3 PolarHBondContact O-N 3.25Å
2T50.7Low85.6Confident146 Ų14667.3 Ų67.390%0.89637%0.372SS*.PPolyproline II helixtrans-61.1118.3168.438.50000107.1A4T2-A4 PolarHBondContact O-N 3.47Å
3M69.4Low86.5Confident179 Ų17962.1 Ų62.188%0.88234%0.344SS*.PPolyproline II helixtrans-57.5139.6172.6-71.4-161-74.900108.4M1 K5M1-M3 PolarHBondContact O-N 3.25Å; M3-K5 PolarHBondContact O-N 3.38Å
4A86.9Confident87.1Confident95 Ų9559.1 Ų59.179%0.78533%0.329SS*.PPolyproline II helixtrans-58134.4174.100000108.6T2T2-A4 PolarHBondContact O-N 3.47Å
5K94.5Very high87.7Confident95 Ų9556.6 Ų56.641%0.41332%0.322SS..PPolyproline II helixtrans-67.9150.3176.3-73.9-173.3171.2-157.80110.2M3 A30 D31 K32 D34M3-K5 PolarHBondContact O-N 3.38Å; K5-A30 PolarHBondContact NZ-O 2.95Å; K5-A30 VanDerWaalsContact NZ-O 3.17Å; K5-D31 WeakPolarHBondContact CE-O 3.18Å; K5-K32 CarbonylContact C-O 3.6Å; K5-K32 VanDerWaalsContact CA-O 3.27Å; K5-K32 WeakPolarHBondContact CA-O 3.49Å; K5-K32 WeakPolarHBondContact CB-O 3.4Å; K5-D34 HydrophobicContact CB-CB 3.77Å; K5-D34 HydrophobicContact CD-CB 4.37Å
6D96.8Very high88.2Confident11 Ų1154.1 Ų54.16%0.05931%0.307CS..EExtended strand (participates in β ladder)trans-72.6138.8179.4-69.7-25.8000111V8 K32 V33 D34 T77 K244D6-V8 HydrophobicContact CB-CG2 4.1Å; D6-K32 PolarHBondContact N-O 3.24Å; D6-V33 HydrophobicContact CB-CG2 4.27Å; D6-V33 CarbonylContact O-C 3.53Å; D6-V33 WeakPolarHBondContact O-CA 3.43Å; D6-V33 WeakPolarHBondContact O-CG1 3.39Å; D6-D34 PolarHBondContact O-N 2.88Å; D6-T77 WeakPolarHBondContact CA-OG1 3.34Å; D6-T77 VanDerWaalsContact CB-OG1 3.3Å; D6-T77 WeakPolarHBondContact CB-OG1 3.36Å; D6-T77 PolarHBondContact OD1-OG1 2.93Å; D6-K244 IonicContact OD1-NZ 3.73Å; D6-K244 PolarHBondContact OD1-NZ 2.96Å; D6-K244 IonicContact OD2-NZ 2.93Å; D6-K244 PolarHBondContact OD2-NZ 3.5Å
7I98.2Very high88.8Confident32 Ų3251.7 Ų51.716%0.16429%0.293CS..EExtended strand (participates in β ladder)trans-95.6114158.7-65.6175.2000106.2E35 R37 A76 T77I7-E35 HydrophobicContact CB-CG 4.35Å; I7-E35 HydrophobicContact CG1-CG 3.98Å; I7-E35 HydrophobicContact CG2-CG 3.96Å; I7-R37 HydrophobicContact CG2-CG 4.49Å; I7-R37 VanDerWaalsContact CG2-CZ 3.47Å; I7-A76 HydrophobicContact CG2-CB 4.09Å; I7-T77 PolarHBondContact N-OG1 2.86Å; I7-T77 PolarHBondContact O-N 2.97Å; I7-T77 PolarHBondContact O-OG1 2.88Å
8V98.6Very high89.3Confident0 Ų048.9 Ų48.90%028%0.277CS..EExtended strand (participates in β ladder)trans-101.2131.1-174.6174.60000110D6 I10 I25 W29 V33 E35 I36 R37 I78 F80D6-V8 HydrophobicContact CB-CG2 4.1Å; V8-I10 HydrophobicContact CG1-CG1 4.08Å; V8-I25 HydrophobicContact CG1-CD1 4.05Å; V8-W29 HydrophobicContact CG2-CZ3 4.29Å; V8-V33 HydrophobicContact CB-CG1 4.36Å; V8-V33 HydrophobicContact CG2-CB 4.46Å; V8-V33 HydrophobicContact CG2-CG1 3.89Å; V8-V33 HydrophobicContact CG2-CG2 3.65Å; V8-E35 PolarHBondContact N-O 3.3Å; V8-E35 VanDerWaalsContact N-O 3.09Å; V8-I36 CarbonylContact O-C 3.59Å; V8-R37 PolarHBondContact O-N 2.91Å; V8-I78 HydrophobicContact CB-CG2 4.36Å; V8-I78 HydrophobicContact CG1-CG2 4.42Å; V8-I78 HydrophobicContact CG2-CG2 3.77Å; V8-F80 HydrophobicContact CG1-CD2 3.55Å; V8-F80 HydrophobicContact CG1-CE2 3.52Å
9V98.7Very high89.7Confident0 Ų046.4 Ų46.40%026%0.263CS..EExtended strand (participates in β ladder)trans-110.8133.5173.1176.10000109.7R37 I39 P72 L73 A76 I78 V79 F80V9-R37 CarbonylContact C-O 3.3Å; V9-R37 WeakPolarHBondContact CA-O 3.28Å; V9-R37 HydrophobicContact CG2-CB 4.07Å; V9-I39 HydrophobicContact CG1-CD1 3.52Å; V9-I39 HydrophobicContact CG1-CG1 4Å; V9-P72 VanDerWaalsContact CG2-O 3.24Å; V9-P72 WeakPolarHBondContact CG2-O 3.37Å; V9-L73 HydrophobicContact CB-CD2 4.45Å; V9-L73 HydrophobicContact CG1-CD2 4.06Å; V9-L73 HydrophobicContact CG2-CD2 4.29Å; V9-A76 HydrophobicContact CG2-CB 3.5Å; V9-I78 PolarHBondContact N-O 3.06Å; V9-V79 HydrophobicContact CB-CG2 4.05Å; V9-V79 HydrophobicContact CG1-CG2 4.4Å; V9-V79 CarbonylContact O-C 3.51Å; V9-V79 WeakPolarHBondContact O-CA 3.35Å; V9-F80 PolarHBondContact O-N 3.26Å
10I98.6Very high90.1Very high0 Ų044.1 Ų44.10%025%0.25CC..EExtended strand (participates in β ladder)trans-123.4112176.9-53.2172000108.3V8 L21 I22 I25 I36 R37 I39 F80 T82V8-I10 HydrophobicContact CG1-CG1 4.08Å; I10-L21 HydrophobicContact CD1-CD2 3.9Å; I10-L21 HydrophobicContact CD1-CG 4.11Å; I10-L21 HydrophobicContact CG1-CD2 4.02Å; I10-L21 HydrophobicContact CG2-CD2 3.97Å; I10-I22 HydrophobicContact CD1-CD1 4.42Å; I10-I22 HydrophobicContact CD1-CG1 3.54Å; I10-I25 HydrophobicContact CD1-CD1 3.8Å; I10-I36 HydrophobicContact CD1-CG2 3.75Å; I10-I36 HydrophobicContact CG1-CG2 4.36Å; I10-R37 PolarHBondContact N-O 3.32Å; I10-I39 PolarHBondContact O-N 3.41Å; I10-F80 WeakPolarHBondContact CA-O 3.29Å; I10-F80 HydrophobicContact CG1-CB 4.3Å; I10-F80 HydrophobicContact CG1-CD2 4.32Å; I10-F80 HydrophobicContact CG2-CB 4.46Å; I10-T82 HydrophobicContact CG2-CG2 4.4Å
11T98.2Very high90.5Very high0 Ų042 Ų420%024%0.238CC..EExtended strand (participates in β ladder)trans-82.4139.9169.685.90000109.2G13 I39 V63 V79 F80 H81 T82 A83 L109T11-G13 VanDerWaalsContact C-N 3.26Å; T11-I39 CarbonylContact C-O 3.43Å; T11-I39 WeakPolarHBondContact CA-O 3.43Å; T11-I39 HydrophobicContact CG2-CD1 4.44Å; T11-V63 HydrophobicContact CG2-CG2 4.22Å; T11-V79 HydrophobicContact CG2-CG1 4.24Å; T11-F80 PolarHBondContact N-O 2.78Å; T11-H81 PolarHBondContact OG1-ND1 3.04Å; T11-T82 CarbonylContact O-C 3.58Å; T11-T82 WeakPolarHBondContact O-CA 3.33Å; T11-T82 WeakPolarHBondContact O-CB 3.23Å; T11-T82 PolarHBondContact O-N 3.49Å; T11-T82 VanDerWaalsContact O-N 3.08Å; T11-T82 PolarHBondContact O-OG1 3.18Å; T11-T82 PolarHBondContact OG1-N 2.94Å; T11-A83 PolarHBondContact O-N 2.84Å; T11-A83 VanDerWaalsContact OG1-CB 3.24Å; T11-A83 WeakPolarHBondContact OG1-CB 3.04Å; T11-A83 PolarHBondContact OG1-N 3.3Å; T11-L109 HydrophobicContact CG2-CD1 4.17Å; T11-L109 HydrophobicContact CG2-CD2 3.93Å
12G96.8Very high93.3Very high8 Ų830.5 Ų30.58%0.08218%0.181CC..THydrogen-bonded Turntrans72.622.7-171.400000112.3S14 G15 I39 D40 T82G12-S14 PolarHBondContact O-N 3.31Å; G12-G15 WeakPolarHBondContact O-CA 3.26Å; G12-G15 PolarHBondContact O-N 3.39Å; G12-I39 PolarHBondContact N-O 2.83Å; G12-D40 VanDerWaalsContact CA-OD2 3.24Å; G12-D40 WeakPolarHBondContact CA-OD2 3.3Å; G12-T82 PolarHBondContact O-OG1 2.9Å
13G96.5Very high95.5Very high0 Ų023.5 Ų23.50%014%0.139CC..THydrogen-bonded Turntrans-67.1-21.5-172.600000114T11 G15 G18 I22T11-G13 VanDerWaalsContact C-N 3.26Å; G13-G15 VanDerWaalsContact C-N 3.29Å; G13-G18 CarbonylContact O-C 3.56Å; G13-I22 WeakPolarHBondContact O-CD1 3.27Å
14S96.1Very high96.9Very high20 Ų2015 Ų1514%0.1410%0.097CC..THydrogen-bonded Turntrans-80.1-13.6171.7-53.70000112.3G12 Q19 D40 K42 F44G12-S14 PolarHBondContact O-N 3.31Å; S14-Q19 PolarHBondContact O-NE2 3.02Å; S14-D40 WeakPolarHBondContact CB-OD2 3.37Å; S14-D40 PolarHBondContact N-OD2 3.04Å; S14-D40 WeakPolarHBondContact OG-CB 3.35Å; S14-K42 PolarHBondContact OG-O 2.92Å; S14-F44 WeakPolarHBondContact OG-CA 3.37Å
15G95.2Very high97.5Very high22 Ų2210.5 Ų10.523%0.2276%0.059CC..SBendtrans-79.1174.3-179.900000114.6G12 G13 L17 G18 Q19 D40G12-G15 WeakPolarHBondContact O-CA 3.26Å; G12-G15 PolarHBondContact O-N 3.39Å; G13-G15 VanDerWaalsContact C-N 3.29Å; G15-L17 PolarHBondContact O-N 3.42Å; G15-G18 PolarHBondContact O-N 3.24Å; G15-Q19 WeakPolarHBondContact O-CG 3.31Å; G15-Q19 PolarHBondContact O-N 3.11Å; G15-D40 PolarHBondContact N-OD2 3.18Å
16F96.5Very high97.6Very high16 Ų166.2 Ų6.27%0.074%0.041CC..Hα-helixtrans-53.3-59-174.4171.6-134.6000113.5G18 Q19 H20 M193 E196 G197 E198 A229F16-G18 VanDerWaalsContact C-N 3.34Å; F16-G18 PolarHBondContact O-N 3.46Å; F16-Q19 PolarHBondContact O-N 2.94Å; F16-H20 AromaticContact CD2-CD2 3.85Å; F16-H20 AromaticContact CD2-NE2 4Å; F16-H20 AromaticContact CE2-CD2 3.59Å; F16-H20 AromaticContact CE2-NE2 3.37Å; F16-H20 WeakPolarHBondContact CE2-NE2 3.36Å; F16-H20 PolarHBondContact O-CD2 2.89Å; F16-H20 PolarHBondContact O-N 2.83Å; F16-M193 HydrophobicContact CE1-CB 3.81Å; F16-E196 WeakPolarHBondContact CE2-O 3.46Å; F16-G197 WeakPolarHBondContact CD2-O 3.3Å; F16-E198 HydrophobicContact CD1-CG 4.46Å; F16-E198 HydrophobicContact CD2-CB 4.46Å; F16-E198 HydrophobicContact CE1-CB 4.21Å; F16-E198 HydrophobicContact CE1-CG 3.99Å; F16-E198 HydrophobicContact CE2-CB 4.04Å; F16-E198 HydrophobicContact CZ-CB 3.9Å; F16-E198 HydrophobicContact CZ-CG 4.12Å; F16-A229 HydrophobicContact CE1-CB 3.73Å; F16-A229 HydrophobicContact CE2-CB 3.72Å; F16-A229 HydrophobicContact CZ-CB 3.26Å
17L97.7Very high97.6Very high14 Ų149.8 Ų9.87%0.0736%0.057CC..Hα-helixtrans-65.9-37.1178.5179.260.6000112.2G15 Q19 H20 L21 T82 T124 M193 V232 A233G15-L17 PolarHBondContact O-N 3.42Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 2.9Å; L17-H20 PolarHBondContact O-N 2.6Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 PolarHBondContact O-N 3.38Å; L17-T82 HydrophobicContact CD2-CG2 4.13Å; L17-T82 HydrophobicContact CG-CG2 4.33Å; L17-T124 HydrophobicContact CD2-CG2 3.62Å; L17-M193 HydrophobicContact CB-CE 4.46Å; L17-M193 HydrophobicContact CD1-SD 4.18Å; L17-M193 HydrophobicContact CD2-CE 4.46Å; L17-M193 HydrophobicContact CD2-SD 4.24Å; L17-V232 HydrophobicContact CD1-CB 3.92Å; L17-V232 HydrophobicContact CD1-CG1 3.71Å; L17-V232 HydrophobicContact CD2-CG1 4.15Å; L17-A233 HydrophobicContact CD1-CB 4.34Å
18G97.8Very high97.5Very high1 Ų111.6 Ų11.61%0.017%0.067CC..Hα-helixtrans-57.6-43.1177.800000112.8G13 G15 F16 L21 I22G13-G18 CarbonylContact O-C 3.56Å; G15-G18 PolarHBondContact O-N 3.24Å; F16-G18 VanDerWaalsContact C-N 3.34Å; F16-G18 PolarHBondContact O-N 3.46Å; G18-L21 WeakPolarHBondContact O-CB 3.4Å; G18-L21 PolarHBondContact O-N 2.91Å; G18-I22 VanDerWaalsContact O-CG1 3.29Å; G18-I22 WeakPolarHBondContact O-CG1 3.43Å; G18-I22 PolarHBondContact O-N 2.94Å
19Q97.3Very high97.4Very high1 Ų111.9 Ų11.91%0.0057%0.068CC..Hα-helixtrans-64.2-43.1177.3-66.6-83.5-17.700112.2S14 G15 F16 L17 L21 I22 R23 Q45 I47 L48S14-Q19 PolarHBondContact O-NE2 3.02Å; G15-Q19 WeakPolarHBondContact O-CG 3.31Å; G15-Q19 PolarHBondContact O-N 3.11Å; F16-Q19 PolarHBondContact O-N 2.94Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 2.9Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 2.91Å; Q19-I22 PolarHBondContact O-N 3.16Å; Q19-R23 PolarHBondContact O-N 3.43Å; Q19-Q45 PolarHBondContact NE2-O 3.4Å; Q19-Q45 PolarHBondContact OE1-O 3.4Å; Q19-I47 HydrophobicContact CB-CD1 3.99Å; Q19-I47 HydrophobicContact CB-CG1 4Å; Q19-I47 HydrophobicContact CG-CD1 3.72Å; Q19-I47 HydrophobicContact CG-CG1 3.86Å; Q19-L48 HydrophobicContact CB-CD1 4.21Å; Q19-L48 HydrophobicContact CB-CG 4.37Å
20H98.2Very high97.2Very high0 Ų013.8 Ų13.80%08%0.084CC..Hα-helixtrans-63-39.8173.3-80.4-82.7000111.5F16 L17 R23 E24 L48 E196 Y228 A229 G230 A233F16-H20 AromaticContact CD2-CD2 3.85Å; F16-H20 AromaticContact CD2-NE2 4Å; F16-H20 AromaticContact CE2-CD2 3.59Å; F16-H20 AromaticContact CE2-NE2 3.37Å; F16-H20 WeakPolarHBondContact CE2-NE2 3.36Å; F16-H20 PolarHBondContact O-CD2 2.89Å; F16-H20 PolarHBondContact O-N 2.83Å; L17-H20 PolarHBondContact O-N 2.6Å; H20-R23 PolarHBondContact ND1-NH2 3.17Å; H20-R23 WeakPolarHBondContact O-CB 3.25Å; H20-R23 PolarHBondContact O-N 2.72Å; H20-E24 WeakPolarHBondContact O-CG 3.01Å; H20-E24 PolarHBondContact O-N 2.94Å; H20-L48 HydrophobicContact CB-CD1 4.39Å; H20-E196 IonicContact CE1-OE2 2.59Å; H20-E196 PolarHBondContact NE2-O 3.43Å; H20-Y228 AromaticContact CE1-CZ 3.8Å; H20-Y228 PolarHBondContact CE1-OH 3.33Å; H20-A229 HydrophobicContact CB-CB 4.39Å; H20-A229 VanDerWaalsContact CD2-CB 3.41Å; H20-A229 WeakPolarHBondContact CD2-CB 3.45Å; H20-G230 PolarHBondContact ND1-N 3.02Å; H20-A233 HydrophobicContact CB-CB 3.86Å
21L98.3Very high97Very high0 Ų019.4 Ų19.40%011%0.114CC..Hα-helixtrans-63.9-44.9177.2-174.865.2000112.3I10 L17 G18 Q19 R23 E24 I25 F80 T82 A233 H236 L237I10-L21 HydrophobicContact CD1-CD2 3.9Å; I10-L21 HydrophobicContact CD1-CG 4.11Å; I10-L21 HydrophobicContact CG1-CD2 4.02Å; I10-L21 HydrophobicContact CG2-CD2 3.97Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 PolarHBondContact O-N 3.38Å; G18-L21 WeakPolarHBondContact O-CB 3.4Å; G18-L21 PolarHBondContact O-N 2.91Å; Q19-L21 VanDerWaalsContact C-N 3.31Å; Q19-L21 PolarHBondContact O-N 2.91Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.95Å; L21-E24 PolarHBondContact O-N 3.3Å; L21-I25 HydrophobicContact CD1-CD1 4.39Å; L21-I25 HydrophobicContact CG-CD1 3.98Å; L21-I25 VanDerWaalsContact O-CG1 3.29Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 3.18Å; L21-F80 HydrophobicContact CD1-CD1 4.28Å; L21-F80 HydrophobicContact CD1-CE1 4.35Å; L21-F80 HydrophobicContact CD2-CB 3.45Å; L21-F80 VanDerWaalsContact CD2-CB 3.45Å; L21-F80 HydrophobicContact CD2-CD1 3.78Å; L21-F80 HydrophobicContact CD2-CD2 4.12Å; L21-F80 HydrophobicContact CD2-CG 3.53Å; L21-T82 HydrophobicContact CD2-CG2 4.37Å; L21-A233 HydrophobicContact CB-CB 4.21Å; L21-A233 HydrophobicContact CD1-CB 4.33Å; L21-H236 HydrophobicContact CD1-CB 3.79Å; L21-L237 HydrophobicContact CD1-CD2 3.53Å; L21-L237 HydrophobicContact CD1-CG 4.32Å
22I98.3Very high96.9Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-59.8-44175.7-66.1161.5000110.4I10 G13 G18 Q19 E24 I25 Q26 I36 V38 F44 Y50 V56I10-I22 HydrophobicContact CD1-CD1 4.42Å; I10-I22 HydrophobicContact CD1-CG1 3.54Å; G13-I22 WeakPolarHBondContact O-CD1 3.27Å; G18-I22 VanDerWaalsContact O-CG1 3.29Å; G18-I22 WeakPolarHBondContact O-CG1 3.43Å; G18-I22 PolarHBondContact O-N 2.94Å; Q19-I22 PolarHBondContact O-N 3.16Å; I22-E24 PolarHBondContact O-N 2.99Å; I22-I25 PolarHBondContact O-N 2.82Å; I22-Q26 HydrophobicContact CG2-CG 4.26Å; I22-Q26 WeakPolarHBondContact O-CB 3.44Å; I22-Q26 WeakPolarHBondContact O-CG 3.33Å; I22-Q26 PolarHBondContact O-N 2.68Å; I22-I36 HydrophobicContact CG1-CG2 4.23Å; I22-I36 HydrophobicContact CG2-CD1 4.16Å; I22-V38 HydrophobicContact CD1-CG2 3.61Å; I22-V38 HydrophobicContact CG1-CG2 4.49Å; I22-F44 HydrophobicContact CD1-CD2 4.16Å; I22-F44 HydrophobicContact CD1-CE2 3.38Å; I22-F44 HydrophobicContact CD1-CZ 3.96Å; I22-Y50 HydrophobicContact CG2-CE2 4.27Å; I22-Y50 VanDerWaalsContact CG2-OH 3.3Å; I22-Y50 WeakPolarHBondContact CG2-OH 3.46Å; I22-V56 HydrophobicContact CG2-CG2 4.26Å
23R97.8Very high96.9Very high0 Ų022.4 Ų22.40%013%0.125CC..Hα-helixtrans-55.7-51.8174.1177.3-179.676.3-170.56.1111.8Q19 H20 L21 I25 Q26 E27 L48 Y50 E196 Y228Q19-R23 PolarHBondContact O-N 3.43Å; H20-R23 PolarHBondContact ND1-NH2 3.17Å; H20-R23 WeakPolarHBondContact O-CB 3.25Å; H20-R23 PolarHBondContact O-N 2.72Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.95Å; R23-I25 VanDerWaalsContact C-N 3.29Å; R23-I25 PolarHBondContact O-N 3.42Å; R23-Q26 PolarHBondContact O-N 2.84Å; R23-E27 WeakPolarHBondContact CG-OE1 3.45Å; R23-E27 WeakPolarHBondContact O-CG 3.11Å; R23-E27 PolarHBondContact O-N 2.8Å; R23-L48 HydrophobicContact CB-CD1 4.28Å; R23-Y50 HydrophobicContact CB-CD1 3.53Å; R23-Y50 HydrophobicContact CB-CE1 3.93Å; R23-Y50 HydrophobicContact CB-CG 4.06Å; R23-Y50 HydrophobicContact CG-CD1 3.73Å; R23-Y50 HydrophobicContact CG-CG 3.95Å; R23-E196 IonicContact NH1-OE1 2.9Å; R23-Y228 PolarHBondContact NH1-OH 2.99Å; R23-Y228 VanDerWaalsContact NH1-OH 3.11Å; R23-Y228 PolarHBondContact NH2-OH 2.82Å
24E97.9Very high96.9Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-63-36.8-179-61.3-51.6133.700111.7H20 L21 I22 E27 L28 A233 L237 K347 Y348H20-E24 WeakPolarHBondContact O-CG 3.01Å; H20-E24 PolarHBondContact O-N 2.94Å; L21-E24 PolarHBondContact O-N 3.3Å; I22-E24 PolarHBondContact O-N 2.99Å; E24-E27 PolarHBondContact O-N 3.12Å; E24-L28 VanDerWaalsContact O-CB 3.25Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 WeakPolarHBondContact O-CG 3.3Å; E24-L28 PolarHBondContact O-N 3.29Å; E24-A233 HydrophobicContact CG-CB 3.73Å; E24-L237 HydrophobicContact CB-CD1 3.75Å; E24-L237 HydrophobicContact CB-CG 4.34Å; E24-K347 WeakPolarHBondContact OE2-CD 3.31Å; E24-K347 IonicContact OE2-NZ 2.6Å; E24-K347 PolarHBondContact OE2-NZ 3.22Å; E24-Y348 WeakPolarHBondContact OE1-CE2 3.46Å; E24-Y348 VanDerWaalsContact OE1-CZ 3.3Å; E24-Y348 PolarHBondContact OE1-OH 3.18Å; E24-Y348 PolarHBondContact OE2-OH 2.78Å
25I98.3Very high97Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-65.2-46.2176.2-67.5165.1000110.7V8 I10 L21 I22 R23 E27 W29 V33 I36 I54 F80 L237V8-I25 HydrophobicContact CG1-CD1 4.05Å; I10-I25 HydrophobicContact CD1-CD1 3.8Å; L21-I25 HydrophobicContact CD1-CD1 4.39Å; L21-I25 HydrophobicContact CG-CD1 3.98Å; L21-I25 VanDerWaalsContact O-CG1 3.29Å; L21-I25 WeakPolarHBondContact O-CG1 3.49Å; L21-I25 PolarHBondContact O-N 3.18Å; I22-I25 PolarHBondContact O-N 2.82Å; R23-I25 VanDerWaalsContact C-N 3.29Å; R23-I25 PolarHBondContact O-N 3.42Å; I25-E27 VanDerWaalsContact C-N 3.29Å; I25-E27 PolarHBondContact O-N 3.34Å; I25-W29 HydrophobicContact CG1-CE3 4.01Å; I25-W29 HydrophobicContact CG2-CB 4.1Å; I25-W29 HydrophobicContact CG2-CE3 4.26Å; I25-W29 WeakPolarHBondContact O-CA 3.43Å; I25-W29 WeakPolarHBondContact O-CB 3.45Å; I25-W29 PolarHBondContact O-N 3.15Å; I25-V33 HydrophobicContact CG2-CB 4.4Å; I25-V33 HydrophobicContact CG2-CG1 4.4Å; I25-V33 HydrophobicContact CG2-CG2 4.07Å; I25-I36 HydrophobicContact CB-CD1 4.09Å; I25-I36 HydrophobicContact CG2-CD1 3.58Å; I25-I36 HydrophobicContact CG2-CG1 3.93Å; I25-I54 HydrophobicContact CG2-CD1 3.76Å; I25-F80 HydrophobicContact CD1-CE2 4.46Å; I25-L237 HydrophobicContact CD1-CD2 4.3Å; I25-L237 HydrophobicContact CG1-CD1 4.09Å; I25-L237 HydrophobicContact CG1-CD2 3.65Å
26Q97.9Very high97.2Very high5 Ų525.2 Ų25.22%0.02313%0.133CC..Hα-helixtrans-59.3-40.8177.5-70.2-78.215.200112I22 R23 I36 Y50 N51 I54I22-Q26 HydrophobicContact CG2-CG 4.26Å; I22-Q26 WeakPolarHBondContact O-CB 3.44Å; I22-Q26 WeakPolarHBondContact O-CG 3.33Å; I22-Q26 PolarHBondContact O-N 2.68Å; R23-Q26 PolarHBondContact O-N 2.84Å; Q26-I36 HydrophobicContact CG-CD1 4.26Å; Q26-Y50 HydrophobicContact CB-CD2 4.01Å; Q26-Y50 HydrophobicContact CB-CE2 4.36Å; Q26-Y50 HydrophobicContact CG-CD2 3.92Å; Q26-Y50 HydrophobicContact CG-CE2 3.76Å; Q26-N51 WeakPolarHBondContact CB-O 3.2Å; Q26-I54 PolarHBondContact NE2-O 2.99Å
27E96.4Very high97.3Very high87 Ų8725.6 Ų25.641%0.40713%0.134SC..Hα-helixtrans-78.4-37.1-178.1-71.4178.7-172.400113.9R23 E24 I25 K347R23-E27 WeakPolarHBondContact CG-OE1 3.45Å; R23-E27 WeakPolarHBondContact O-CG 3.11Å; R23-E27 PolarHBondContact O-N 2.8Å; E24-E27 PolarHBondContact O-N 3.12Å; I25-E27 VanDerWaalsContact C-N 3.29Å; I25-E27 PolarHBondContact O-N 3.34Å; E27-K347 IonicContact OE2-NZ 2.83Å; E27-K347 PolarHBondContact OE2-NZ 3.42Å
28L96.7Very high97.3Very high70 Ų7025 Ų2537%0.36613%0.13SC..Hα-helixtrans-112-18.7-166.3-58.8177.5000114.3E24 Y234 L237 K347E24-L28 VanDerWaalsContact O-CB 3.25Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 WeakPolarHBondContact O-CG 3.3Å; E24-L28 PolarHBondContact O-N 3.29Å; L28-Y234 HydrophobicContact CD1-CD2 3.7Å; L28-Y234 HydrophobicContact CD1-CE2 3.85Å; L28-L237 HydrophobicContact CB-CD1 4.46Å; L28-L237 HydrophobicContact CD1-CD1 4.47Å; L28-K347 HydrophobicContact CD1-CD 4.43Å
29W96.8Very high97.3Very high5 Ų525 Ų252%0.01913%0.13CC..  trans-122.618.6-170.7-78.19.3000113.5V8 I25 D31 K32 V33 F80 L237 A240 D241V8-W29 HydrophobicContact CG2-CZ3 4.29Å; I25-W29 HydrophobicContact CG1-CE3 4.01Å; I25-W29 HydrophobicContact CG2-CB 4.1Å; I25-W29 HydrophobicContact CG2-CE3 4.26Å; I25-W29 WeakPolarHBondContact O-CA 3.43Å; I25-W29 WeakPolarHBondContact O-CB 3.45Å; I25-W29 PolarHBondContact O-N 3.15Å; W29-D31 PolarHBondContact O-N 2.85Å; W29-D31 VanDerWaalsContact O-N 3.16Å; W29-K32 HydrophobicContact CB-CB 4.35Å; W29-K32 HydrophobicContact CG-CD 4.17Å; W29-K32 PolarHBondContact O-N 3.37Å; W29-V33 HydrophobicContact CB-CG2 3.95Å; W29-V33 HydrophobicContact CD2-CG2 4.36Å; W29-V33 HydrophobicContact CE3-CG2 3.62Å; W29-V33 HydrophobicContact CZ3-CG2 4.38Å; W29-V33 PolarHBondContact O-N 3.41Å; W29-F80 HydrophobicContact CH2-CE2 4.37Å; W29-F80 AromaticContact CH2-CZ 3.72Å; W29-F80 HydrophobicContact CH2-CZ 3.72Å; W29-F80 HydrophobicContact CZ3-CE2 4Å; W29-F80 AromaticContact CZ3-CZ 3.78Å; W29-F80 HydrophobicContact CZ3-CZ 3.78Å; W29-L237 HydrophobicContact CD2-CD1 4.03Å; W29-L237 HydrophobicContact CD2-CD2 4.28Å; W29-L237 HydrophobicContact CE3-CD2 4.17Å; W29-L237 HydrophobicContact CG-CD1 4.2Å; W29-L237 HydrophobicContact CH2-CD2 3.96Å; W29-L237 HydrophobicContact CZ2-CB 3.77Å; W29-L237 HydrophobicContact CZ2-CD2 4Å; W29-L237 HydrophobicContact CZ2-CG 4.3Å; W29-L237 WeakPolarHBondContact CZ2-O 3.28Å; W29-L237 HydrophobicContact CZ3-CD2 4.02Å; W29-A240 HydrophobicContact CH2-CB 3.47Å; W29-A240 VanDerWaalsContact CH2-CB 3.47Å; W29-A240 HydrophobicContact CZ2-CB 3.94Å; W29-D241 PolarHBondContact NE1-OD2 3.33Å
30A93.8Very high97.3Very high41 Ų4126.1 Ų26.134%0.33914%0.136SC..THydrogen-bonded Turntrans-56-30.4179.200000114.2K5K5-A30 PolarHBondContact NZ-O 2.95Å; K5-A30 VanDerWaalsContact NZ-O 3.17Å
31D94.2Very high97.1Very high117 Ų11731.5 Ų31.563%0.62616%0.16SC*.THydrogen-bonded Turntrans-85.4-18.8176.364.4-43.1000113.5K5 W29K5-D31 WeakPolarHBondContact CE-O 3.18Å; W29-D31 PolarHBondContact O-N 2.85Å; W29-D31 VanDerWaalsContact O-N 3.16Å
32K95.4Very high96.9Very high70 Ų7038.3 Ų38.330%0.30419%0.189SC..THydrogen-bonded Turntrans-100.6-29.5-174.7-61.3-178.7-177.5-178.40114.2K5 D6 W29 D241K5-K32 CarbonylContact C-O 3.6Å; K5-K32 VanDerWaalsContact CA-O 3.27Å; K5-K32 WeakPolarHBondContact CA-O 3.49Å; K5-K32 WeakPolarHBondContact CB-O 3.4Å; D6-K32 PolarHBondContact N-O 3.24Å; W29-K32 HydrophobicContact CB-CB 4.35Å; W29-K32 HydrophobicContact CG-CD 4.17Å; W29-K32 PolarHBondContact O-N 3.37Å; K32-D241 IonicContact NZ-OD1 2.79Å; K32-D241 PolarHBondContact NZ-OD1 3.06Å; K32-D241 IonicContact NZ-OD2 2.78Å; K32-D241 PolarHBondContact NZ-OD2 2.72Å
33V97.7Very high96.8Very high2 Ų241.4 Ų41.41%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-110137.1-172.4176.90000110.8D6 V8 I25 W29 E35 I36 I54D6-V33 HydrophobicContact CB-CG2 4.27Å; D6-V33 CarbonylContact O-C 3.53Å; D6-V33 WeakPolarHBondContact O-CA 3.43Å; D6-V33 WeakPolarHBondContact O-CG1 3.39Å; V8-V33 HydrophobicContact CB-CG1 4.36Å; V8-V33 HydrophobicContact CG2-CB 4.46Å; V8-V33 HydrophobicContact CG2-CG1 3.89Å; V8-V33 HydrophobicContact CG2-CG2 3.65Å; I25-V33 HydrophobicContact CG2-CB 4.4Å; I25-V33 HydrophobicContact CG2-CG1 4.4Å; I25-V33 HydrophobicContact CG2-CG2 4.07Å; W29-V33 HydrophobicContact CB-CG2 3.95Å; W29-V33 HydrophobicContact CD2-CG2 4.36Å; W29-V33 HydrophobicContact CE3-CG2 3.62Å; W29-V33 HydrophobicContact CZ3-CG2 4.38Å; W29-V33 PolarHBondContact O-N 3.41Å; V33-E35 WeakPolarHBondContact CG1-O 3.44Å; V33-I36 HydrophobicContact CG1-CG1 4.18Å; V33-I54 HydrophobicContact CB-CD1 3.89Å; V33-I54 HydrophobicContact CG1-CD1 4.16Å; V33-I54 HydrophobicContact CG1-CG2 3.83Å
34D97.3Very high96.7Very high88 Ų8843 Ų4347%0.47122%0.217SC..EExtended strand (participates in β ladder)trans-89.4-45176.5-161.951.4000111.4K5 D6 P55K5-D34 HydrophobicContact CB-CB 3.77Å; K5-D34 HydrophobicContact CD-CB 4.37Å; D6-D34 PolarHBondContact O-N 2.88Å; D34-P55 VanDerWaalsContact O-CD 3.27Å; D34-P55 WeakPolarHBondContact O-CD 3.21Å; D34-P55 WeakPolarHBondContact O-CG 3.42Å
35E97.8Very high96.5Very high13 Ų1349.6 Ų49.66%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-152153.4178.362.2179.3-160.800112.1I7 V8 V33 R37 P55 K57I7-E35 HydrophobicContact CB-CG 4.35Å; I7-E35 HydrophobicContact CG1-CG 3.98Å; I7-E35 HydrophobicContact CG2-CG 3.96Å; V8-E35 PolarHBondContact N-O 3.3Å; V8-E35 VanDerWaalsContact N-O 3.09Å; V33-E35 WeakPolarHBondContact CG1-O 3.44Å; E35-R37 IonicContact OE1-CZ 2.72Å; E35-R37 IonicContact OE1-NE 2.68Å; E35-R37 PolarHBondContact OE1-NE 3.24Å; E35-R37 IonicContact OE1-NH2 2.89Å; E35-R37 PolarHBondContact OE1-NH2 3.4Å; E35-P55 HydrophobicContact CB-CG 3.97Å; E35-K57 IonicContact OE1-NZ 2.58Å; E35-K57 WeakPolarHBondContact OE2-CD 3.45Å; E35-K57 WeakPolarHBondContact OE2-CE 3.5Å; E35-K57 IonicContact OE2-NZ 3.79Å; E35-K57 PolarHBondContact OE2-NZ 3.49Å
36I98.6Very high96.3Very high0 Ų053.3 Ų53.30%026%0.263CS..EExtended strand (participates in β ladder)trans-110.2125.7173.7-57.9166.2000108V8 I10 I22 I25 Q26 V33 V38 I54 P55 V56 K57V8-I36 CarbonylContact O-C 3.59Å; I10-I36 HydrophobicContact CD1-CG2 3.75Å; I10-I36 HydrophobicContact CG1-CG2 4.36Å; I22-I36 HydrophobicContact CG1-CG2 4.23Å; I22-I36 HydrophobicContact CG2-CD1 4.16Å; I25-I36 HydrophobicContact CB-CD1 4.09Å; I25-I36 HydrophobicContact CG2-CD1 3.58Å; I25-I36 HydrophobicContact CG2-CG1 3.93Å; Q26-I36 HydrophobicContact CG-CD1 4.26Å; V33-I36 HydrophobicContact CG1-CG1 4.18Å; I36-V38 HydrophobicContact CG2-CG2 4.42Å; I36-I54 HydrophobicContact CD1-CB 4.26Å; I36-I54 HydrophobicContact CD1-CD1 4.38Å; I36-I54 HydrophobicContact CD1-CG2 4.11Å; I36-I54 HydrophobicContact CG1-CG2 3.81Å; I36-P55 PolarHBondContact N-O 3.38Å; I36-V56 HydrophobicContact CB-CG2 4.34Å; I36-V56 HydrophobicContact CD1-CG2 4.38Å; I36-V56 CarbonylContact O-C 3.56Å; I36-V56 VanDerWaalsContact O-CA 3.31Å; I36-V56 WeakPolarHBondContact O-CA 3.48Å; I36-K57 PolarHBondContact O-N 2.95Å
37R98.4Very high96.1Very high24 Ų2456.2 Ų56.29%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-108.5120.8176.1-59.4-178.6-176.6174.11.5109.6I7 V8 V9 I10 E35 K57 F59 P72 T74I7-R37 HydrophobicContact CG2-CG 4.49Å; I7-R37 VanDerWaalsContact CG2-CZ 3.47Å; V8-R37 PolarHBondContact O-N 2.91Å; V9-R37 CarbonylContact C-O 3.3Å; V9-R37 WeakPolarHBondContact CA-O 3.28Å; V9-R37 HydrophobicContact CG2-CB 4.07Å; I10-R37 PolarHBondContact N-O 3.32Å; E35-R37 IonicContact OE1-CZ 2.72Å; E35-R37 IonicContact OE1-NE 2.68Å; E35-R37 PolarHBondContact OE1-NE 3.24Å; E35-R37 IonicContact OE1-NH2 2.89Å; E35-R37 PolarHBondContact OE1-NH2 3.4Å; R37-K57 CarbonylContact C-O 3.52Å; R37-K57 WeakPolarHBondContact CA-O 3.4Å; R37-K57 HydrophobicContact CG-CB 4.48Å; R37-F59 HydrophobicContact CB-CD2 4.21Å; R37-F59 HydrophobicContact CB-CE2 3.9Å; R37-F59 HydrophobicContact CG-CE2 3.91Å; R37-P72 WeakPolarHBondContact CD-O 3.3Å; R37-P72 PolarHBondContact NH1-O 2.94Å; R37-T74 PolarHBondContact NH1-O 3.45Å; R37-T74 PolarHBondContact NH2-O 3.13Å
38V98.2Very high96Very high1 Ų152.4 Ų52.41%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-100.3120.9179.8169.70000108.9I22 I36 D40 F44 V56 K57 F59I22-V38 HydrophobicContact CD1-CG2 3.61Å; I22-V38 HydrophobicContact CG1-CG2 4.49Å; I36-V38 HydrophobicContact CG2-CG2 4.42Å; V38-D40 HydrophobicContact CG1-CB 4.42Å; V38-F44 HydrophobicContact CG1-CB 4.42Å; V38-F44 HydrophobicContact CG1-CD2 4.24Å; V38-F44 HydrophobicContact CG2-CD2 4.23Å; V38-V56 HydrophobicContact CG2-CG1 3.82Å; V38-K57 PolarHBondContact N-O 2.86Å; V38-F59 PolarHBondContact O-N 2.9Å
39I97.9Very high95.8Very high1 Ų155.8 Ų55.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-106117.2171-55.5177.8000107.7V9 I10 T11 G12 F59 A61 V63 I69 P72V9-I39 HydrophobicContact CG1-CD1 3.52Å; V9-I39 HydrophobicContact CG1-CG1 4Å; I10-I39 PolarHBondContact O-N 3.41Å; T11-I39 CarbonylContact C-O 3.43Å; T11-I39 WeakPolarHBondContact CA-O 3.43Å; T11-I39 HydrophobicContact CG2-CD1 4.44Å; G12-I39 PolarHBondContact N-O 2.83Å; I39-F59 WeakPolarHBondContact CA-O 3.42Å; I39-F59 HydrophobicContact CG1-CB 4.48Å; I39-A61 HydrophobicContact CG2-CB 4.05Å; I39-V63 HydrophobicContact CG2-CG2 4.23Å; I39-I69 HydrophobicContact CD1-CG2 4.41Å; I39-I69 HydrophobicContact CG2-CG2 4.19Å; I39-P72 HydrophobicContact CD1-CB 3.7Å; I39-P72 HydrophobicContact CD1-CG 3.5Å; I39-P72 VanDerWaalsContact CD1-CG 3.5Å; I39-P72 HydrophobicContact CG1-CB 3.76Å; I39-P72 HydrophobicContact CG1-CG 3.81Å
40D97Very high95.7Very high24 Ų2456 Ų5613%0.12828%0.28CS..EExtended strand (participates in β ladder)trans-155.4160.3175.9-156.7-63.6000110.6G12 S14 G15 V38 K42 F59 I60 A61G12-D40 VanDerWaalsContact CA-OD2 3.24Å; G12-D40 WeakPolarHBondContact CA-OD2 3.3Å; S14-D40 WeakPolarHBondContact CB-OD2 3.37Å; S14-D40 PolarHBondContact N-OD2 3.04Å; S14-D40 WeakPolarHBondContact OG-CB 3.35Å; G15-D40 PolarHBondContact N-OD2 3.18Å; V38-D40 HydrophobicContact CG1-CB 4.42Å; D40-K42 PolarHBondContact O-N 3.24Å; D40-K42 PolarHBondContact OD1-N 3.25Å; D40-F59 PolarHBondContact N-O 3.13Å; D40-I60 VanDerWaalsContact O-CA 3.27Å; D40-I60 WeakPolarHBondContact O-CA 3.5Å; D40-A61 CarbonylContact C-O 3.26Å; D40-A61 VanDerWaalsContact C-O 3.32Å; D40-A61 PolarHBondContact O-N 3.29Å
41K94.4Very high95.7Very high114 Ų11460.8 Ų60.850%0.49630%0.3SS..SBendtrans-75.6-18.2172-64.6-166.1-85.3-146.20112.8D62K41-D62 HydrophobicContact CD-CB 3.99Å; K41-D62 VanDerWaalsContact CD-OD2 3.31Å; K41-D62 WeakPolarHBondContact CD-OD2 3.39Å; K41-D62 HydrophobicContact CG-CB 4.2Å; K41-D62 IonicContact NZ-OD1 3.68Å; K41-D62 IonicContact NZ-OD2 2.9Å; K41-D62 PolarHBondContact NZ-OD2 3.02Å
42K93.7Very high95.7Very high142 Ų14260.5 Ų60.562%0.61730%0.295SS*.SBendtrans-107.7141.7179.8-62.3178.3-178.1178.40109.8S14 D40S14-K42 PolarHBondContact OG-O 2.92Å; D40-K42 PolarHBondContact O-N 3.24Å; D40-K42 PolarHBondContact OD1-N 3.25Å
43P95.6Very high95.7Very high66 Ų6660.9 Ų60.943%0.42931%0.306SS..  trans-56.6147.1174.726-35.1000110.8Q45 I60P43-Q45 PolarHBondContact O-N 2.59Å; P43-I60 HydrophobicContact CB-CD1 4.47Å
44F96.1Very high95.7Very high34 Ų3461.2 Ų61.215%0.14931%0.308CS..  trans-73.8121.9-180178.1-103.6000109.6S14 I22 V38 K46 V56 E58S14-F44 WeakPolarHBondContact OG-CA 3.37Å; I22-F44 HydrophobicContact CD1-CD2 4.16Å; I22-F44 HydrophobicContact CD1-CE2 3.38Å; I22-F44 HydrophobicContact CD1-CZ 3.96Å; V38-F44 HydrophobicContact CG1-CB 4.42Å; V38-F44 HydrophobicContact CG1-CD2 4.24Å; V38-F44 HydrophobicContact CG2-CD2 4.23Å; F44-K46 HydrophobicContact CE1-CB 4.18Å; F44-K46 HydrophobicContact CZ-CB 4.29Å; F44-V56 HydrophobicContact CD1-CG1 4.16Å; F44-V56 HydrophobicContact CE1-CG1 4.13Å; F44-E58 HydrophobicContact CB-CB 4.12Å; F44-E58 PolarHBondContact N-OE2 3.32Å
45Q94.3Very high95.7Very high138 Ų13860.5 Ų60.565%0.64531%0.308SS*.  trans-126.4118.3172-65.6-176.31.400108.1Q19 P43 I47Q19-Q45 PolarHBondContact NE2-O 3.4Å; Q19-Q45 PolarHBondContact OE1-O 3.4Å; P43-Q45 PolarHBondContact O-N 2.59Å; Q45-I47 WeakPolarHBondContact O-CG2 3.22Å; Q45-I47 PolarHBondContact O-N 2.9Å
46K94.8Very high95.7Very high78 Ų7861.7 Ų61.734%0.33932%0.316SS..  trans-67113.4179.1177.9177.3175.8-169.50110F44 L48 Y50 E52F44-K46 HydrophobicContact CE1-CB 4.18Å; F44-K46 HydrophobicContact CZ-CB 4.29Å; K46-L48 WeakPolarHBondContact CE-O 3.29Å; K46-L48 WeakPolarHBondContact CG-O 3.44Å; K46-Y50 HydrophobicContact CD-CE1 4.33Å; K46-Y50 HydrophobicContact CD-CE2 4.18Å; K46-Y50 WeakPolarHBondContact CE-O 3.34Å; K46-Y50 HydrophobicContact CG-CE1 4.04Å; K46-Y50 PolarHBondContact NZ-O 3.01Å; K46-E52 VanDerWaalsContact NZ-CD 3.33Å; K46-E52 IonicContact NZ-OE2 3.25Å; K46-E52 PolarHBondContact NZ-OE2 3.24Å
47I92.5Very high95.6Very high65 Ų6566.3 Ų66.333%0.33334%0.336SS..  trans-100.5-19.5-179.968.8-175.5000113.4Q19 Q45Q19-I47 HydrophobicContact CB-CD1 3.99Å; Q19-I47 HydrophobicContact CB-CG1 4Å; Q19-I47 HydrophobicContact CG-CD1 3.72Å; Q19-I47 HydrophobicContact CG-CG1 3.86Å; Q45-I47 WeakPolarHBondContact O-CG2 3.22Å; Q45-I47 PolarHBondContact O-N 2.9Å
48L94.8Very high95.6Very high7 Ų770.2 Ų70.24%0.03736%0.356CS..SBendtrans-102.8143.6-178.4-56.5-176.9000110.5Q19 H20 R23 K46 Y50 E196Q19-L48 HydrophobicContact CB-CD1 4.21Å; Q19-L48 HydrophobicContact CB-CG 4.37Å; H20-L48 HydrophobicContact CB-CD1 4.39Å; R23-L48 HydrophobicContact CB-CD1 4.28Å; K46-L48 WeakPolarHBondContact CE-O 3.29Å; K46-L48 WeakPolarHBondContact CG-O 3.44Å; L48-Y50 HydrophobicContact CB-CD1 3.83Å; L48-Y50 HydrophobicContact CB-CE1 3.95Å; L48-Y50 WeakPolarHBondContact O-CD1 3.48Å; L48-Y50 PolarHBondContact O-N 2.7Å; L48-E196 HydrophobicContact CD2-CB 3.49Å; L48-E196 VanDerWaalsContact CD2-CB 3.49Å; L48-E196 HydrophobicContact CD2-CG 4.48Å
49N92.8Very high95.5Very high141 Ų14172 Ų7275%0.75436%0.363SS*.  trans-82.3114.7173.5-17019.8000110.4
50Y94Very high95.5Very high9 Ų977.1 Ų77.14%0.03539%0.39CS..  trans-156.4158.217456.7-99.7000110.5I22 R23 Q26 K46 L48 E52I22-Y50 HydrophobicContact CG2-CE2 4.27Å; I22-Y50 VanDerWaalsContact CG2-OH 3.3Å; I22-Y50 WeakPolarHBondContact CG2-OH 3.46Å; R23-Y50 HydrophobicContact CB-CD1 3.53Å; R23-Y50 HydrophobicContact CB-CE1 3.93Å; R23-Y50 HydrophobicContact CB-CG 4.06Å; R23-Y50 HydrophobicContact CG-CD1 3.73Å; R23-Y50 HydrophobicContact CG-CG 3.95Å; Q26-Y50 HydrophobicContact CB-CD2 4.01Å; Q26-Y50 HydrophobicContact CB-CE2 4.36Å; Q26-Y50 HydrophobicContact CG-CD2 3.92Å; Q26-Y50 HydrophobicContact CG-CE2 3.76Å; K46-Y50 HydrophobicContact CD-CE1 4.33Å; K46-Y50 HydrophobicContact CD-CE2 4.18Å; K46-Y50 WeakPolarHBondContact CE-O 3.34Å; K46-Y50 HydrophobicContact CG-CE1 4.04Å; K46-Y50 PolarHBondContact NZ-O 3.01Å; L48-Y50 HydrophobicContact CB-CD1 3.83Å; L48-Y50 HydrophobicContact CB-CE1 3.95Å; L48-Y50 WeakPolarHBondContact O-CD1 3.48Å; L48-Y50 PolarHBondContact O-N 2.7Å; Y50-E52 HydrophobicContact CD2-CG 4.05Å; Y50-E52 HydrophobicContact CE2-CG 3.66Å
51N94.3Very high95.4Very high143 Ų14376.2 Ų76.277%0.76539%0.386SS*.  trans-77.5138.8175.9-66.6-30.1000110.3Q26Q26-N51 WeakPolarHBondContact CB-O 3.2Å
52E94.5Very high95.3Very high111 Ų11172.5 Ų72.552%0.51937%0.371SS..  trans-104.1111.8179-73.8166118.800109.6K46 Y50K46-E52 VanDerWaalsContact NZ-CD 3.33Å; K46-E52 IonicContact NZ-OE2 3.25Å; K46-E52 PolarHBondContact NZ-OE2 3.24Å; Y50-E52 HydrophobicContact CD2-CG 4.05Å; Y50-E52 HydrophobicContact CE2-CG 3.66Å
53S95.3Very high95.1Very high78 Ų7866.1 Ų66.155%0.54534%0.344SS..  trans-114.4-20.7173.452.50000112.9
54I97.5Very high94.8Very high8 Ų864 Ų644%0.04133%0.33CS..SBendtrans-104.8130.6177.6-56.8160.5000108.3I25 Q26 V33 I36 V56I25-I54 HydrophobicContact CG2-CD1 3.76Å; Q26-I54 PolarHBondContact NE2-O 2.99Å; V33-I54 HydrophobicContact CB-CD1 3.89Å; V33-I54 HydrophobicContact CG1-CD1 4.16Å; V33-I54 HydrophobicContact CG1-CG2 3.83Å; I36-I54 HydrophobicContact CD1-CB 4.26Å; I36-I54 HydrophobicContact CD1-CD1 4.38Å; I36-I54 HydrophobicContact CD1-CG2 4.11Å; I36-I54 HydrophobicContact CG1-CG2 3.81Å; I54-V56 PolarHBondContact O-N 3.5Å
55P97.3Very high94.5Very high73 Ų7367.3 Ų67.347%0.47435%0.346SS..  trans-62.3133.5174.625.2-34.3000111.7D34 E35 I36D34-P55 VanDerWaalsContact O-CD 3.27Å; D34-P55 WeakPolarHBondContact O-CD 3.21Å; D34-P55 WeakPolarHBondContact O-CG 3.42Å; E35-P55 HydrophobicContact CB-CG 3.97Å; I36-P55 PolarHBondContact N-O 3.38Å
56V97.7Very high93.7Very high39 Ų3963.6 Ų63.624%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-101.8123.4171.6-1770000108.7I22 I36 V38 F44 I54I22-V56 HydrophobicContact CG2-CG2 4.26Å; I36-V56 HydrophobicContact CB-CG2 4.34Å; I36-V56 HydrophobicContact CD1-CG2 4.38Å; I36-V56 CarbonylContact O-C 3.56Å; I36-V56 VanDerWaalsContact O-CA 3.31Å; I36-V56 WeakPolarHBondContact O-CA 3.48Å; V38-V56 HydrophobicContact CG2-CG1 3.82Å; F44-V56 HydrophobicContact CD1-CG1 4.16Å; F44-V56 HydrophobicContact CE1-CG1 4.13Å; I54-V56 PolarHBondContact O-N 3.5Å
57K97.6Very high93.1Very high97 Ų9766.8 Ų66.842%0.42235%0.349SS..EExtended strand (participates in β ladder)trans-108.3124.1174.2-68.3-179.2175.7170.90109.3E35 I36 R37 V38 F59E35-K57 IonicContact OE1-NZ 2.58Å; E35-K57 WeakPolarHBondContact OE2-CD 3.45Å; E35-K57 WeakPolarHBondContact OE2-CE 3.5Å; E35-K57 IonicContact OE2-NZ 3.79Å; E35-K57 PolarHBondContact OE2-NZ 3.49Å; I36-K57 PolarHBondContact O-N 2.95Å; R37-K57 CarbonylContact C-O 3.52Å; R37-K57 WeakPolarHBondContact CA-O 3.4Å; R37-K57 HydrophobicContact CG-CB 4.48Å; V38-K57 PolarHBondContact N-O 2.86Å; K57-F59 HydrophobicContact CB-CE2 3.79Å; K57-F59 HydrophobicContact CB-CZ 4.43Å
58E97Very high92.9Very high105 Ų10568.3 Ų68.349%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-91.8142.7177.365.9175.7-177.200111.9F44F44-E58 HydrophobicContact CB-CB 4.12Å; F44-E58 PolarHBondContact N-OE2 3.32Å
59F97.2Very high92.8Very high38 Ų3868 Ų6817%0.16735%0.353CS..EExtended strand (participates in β ladder)trans-134111.9174-63.9-93.7000107.7R37 V38 I39 D40 K57 A61 E71 P72R37-F59 HydrophobicContact CB-CD2 4.21Å; R37-F59 HydrophobicContact CB-CE2 3.9Å; R37-F59 HydrophobicContact CG-CE2 3.91Å; V38-F59 PolarHBondContact O-N 2.9Å; I39-F59 WeakPolarHBondContact CA-O 3.42Å; I39-F59 HydrophobicContact CG1-CB 4.48Å; D40-F59 PolarHBondContact N-O 3.13Å; K57-F59 HydrophobicContact CB-CE2 3.79Å; K57-F59 HydrophobicContact CB-CZ 4.43Å; F59-A61 PolarHBondContact O-N 3.39Å; F59-E71 HydrophobicContact CE1-CG 3.9Å; F59-P72 HydrophobicContact CB-CB 4.15Å; F59-P72 HydrophobicContact CB-CG 4.23Å; F59-P72 HydrophobicContact CD1-CB 3.91Å; F59-P72 HydrophobicContact CD1-CG 4.2Å; F59-P72 HydrophobicContact CD2-CB 3.69Å; F59-P72 HydrophobicContact CE1-CB 4.2Å; F59-P72 HydrophobicContact CE2-CB 3.99Å; F59-P72 HydrophobicContact CG-CB 3.64Å; F59-P72 HydrophobicContact CG-CG 4.11Å; F59-P72 HydrophobicContact CZ-CB 4.23Å
60I96.5Very high92.9Very high110 Ų11063.2 Ų63.256%0.56433%0.327SS*.EExtended strand (participates in β ladder)trans-83.4105.5178.6-61.1172.1000107.9D40 P43D40-I60 VanDerWaalsContact O-CA 3.27Å; D40-I60 WeakPolarHBondContact O-CA 3.5Å; P43-I60 HydrophobicContact CB-CD1 4.47Å
61A94.8Very high92.9Very high5 Ų569.5 Ų69.54%0.04136%0.357CS..  trans-154.9150.1-175.500000111.8I39 D40 F59 E68 I69I39-A61 HydrophobicContact CG2-CB 4.05Å; D40-A61 CarbonylContact C-O 3.26Å; D40-A61 VanDerWaalsContact C-O 3.32Å; D40-A61 PolarHBondContact O-N 3.29Å; F59-A61 PolarHBondContact O-N 3.39Å; A61-E68 VanDerWaalsContact CA-OE2 3.27Å; A61-E68 WeakPolarHBondContact CA-OE2 3.27Å; A61-E68 HydrophobicContact CB-CB 3.56Å; A61-I69 HydrophobicContact CB-CG2 4.44Å
62D92.3Very high93Very high35 Ų3562.8 Ų62.819%0.18732%0.321CS..  trans-89.9127.9163.9-159.7-21.9000109.6K41 V64 E65 E68K41-D62 HydrophobicContact CD-CB 3.99Å; K41-D62 VanDerWaalsContact CD-OD2 3.31Å; K41-D62 WeakPolarHBondContact CD-OD2 3.39Å; K41-D62 HydrophobicContact CG-CB 4.2Å; K41-D62 IonicContact NZ-OD1 3.68Å; K41-D62 IonicContact NZ-OD2 2.9Å; K41-D62 PolarHBondContact NZ-OD2 3.02Å; D62-V64 PolarHBondContact O-N 3.29Å; D62-V64 PolarHBondContact OD1-N 2.92Å; D62-E65 HydrophobicContact CB-CG 4.26Å; D62-E65 PolarHBondContact O-N 3.09Å; D62-E68 PolarHBondContact N-OE2 3.44Å
63V90.9Very high93.2Very high8 Ų857.5 Ų57.55%0.04830%0.297CS..THydrogen-bonded Turntrans-62.9-18178.3-176.90000111.8T11 I39 E65 A83 A105 L109T11-V63 HydrophobicContact CG2-CG2 4.22Å; I39-V63 HydrophobicContact CG2-CG2 4.23Å; V63-E65 VanDerWaalsContact C-N 3.31Å; V63-A83 HydrophobicContact CG2-CB 4.23Å; V63-A105 HydrophobicContact CB-CB 4.36Å; V63-A105 HydrophobicContact CG1-CB 4.12Å; V63-L109 HydrophobicContact CG1-CB 4.07Å
64V89.5Confident93.2Very high21 Ų2157.4 Ų57.413%0.12729%0.293CS..THydrogen-bonded Turntrans-70.2-27.9173.3-179.50000112.3D62 A105 Q108D62-V64 PolarHBondContact O-N 3.29Å; D62-V64 PolarHBondContact OD1-N 2.92Å; V64-A105 HydrophobicContact CG2-CB 3.92Å; V64-Q108 PolarHBondContact O-NE2 3.35Å; V64-Q108 PolarHBondContact O-OE1 2.89Å
65E87.9Confident93.2Very high105 Ų10559.3 Ų59.349%0.49131%0.314SS..SBendtrans-95.6101.2-177.6-58.9-57.1149.300109.6D62 V63 D67 E68D62-E65 HydrophobicContact CB-CG 4.26Å; D62-E65 PolarHBondContact O-N 3.09Å; V63-E65 VanDerWaalsContact C-N 3.31Å; E65-D67 VanDerWaalsContact C-N 3.29Å; E65-D67 PolarHBondContact O-N 2.8Å; E65-E68 HydrophobicContact CB-CB 4.42Å; E65-E68 HydrophobicContact CB-CG 3.88Å; E65-E68 PolarHBondContact O-N 2.64Å; E65-E68 VanDerWaalsContact O-N 3.1Å
66E78.8Confident93.2Very high59 Ų5956.1 Ų56.128%0.27629%0.294SS..G310 helixtrans-57-39.4-170-172-179.4158.200113.7E68 I69 R115E66-E68 PolarHBondContact O-N 2.74Å; E66-I69 WeakPolarHBondContact O-CG1 3.42Å; E66-I69 PolarHBondContact O-N 3.46Å; E66-R115 IonicContact OE1-CZ 2.85Å; E66-R115 VanDerWaalsContact OE1-CZ 3.24Å; E66-R115 IonicContact OE1-NH1 3.57Å; E66-R115 PolarHBondContact OE1-NH1 3.25Å; E66-R115 IonicContact OE1-NH2 3.51Å; E66-R115 PolarHBondContact OE1-NH2 2.76Å
67D82.1Confident93.2Very high146 Ų14656.2 Ų56.278%0.78130%0.295SS*.G310 helixtrans-69.1-21.6-176.9-65.4-28.7000112.5E65E65-D67 VanDerWaalsContact C-N 3.29Å; E65-D67 PolarHBondContact O-N 2.8Å
68E88.1Confident93.2Very high97 Ų9751.6 Ų51.645%0.45328%0.275SS..G310 helixtrans-82.6-14.2-178.6-57.8-172165.900112.9A61 D62 E65 E66A61-E68 VanDerWaalsContact CA-OE2 3.27Å; A61-E68 WeakPolarHBondContact CA-OE2 3.27Å; A61-E68 HydrophobicContact CB-CB 3.56Å; D62-E68 PolarHBondContact N-OE2 3.44Å; E65-E68 HydrophobicContact CB-CB 4.42Å; E65-E68 HydrophobicContact CB-CG 3.88Å; E65-E68 PolarHBondContact O-N 2.64Å; E65-E68 VanDerWaalsContact O-N 3.1Å; E66-E68 PolarHBondContact O-N 2.74Å
69I93.5Very high93.3Very high0 Ų046.6 Ų46.60%025%0.252CS..SBendtrans-105.5-3.4-175.663.3168.4000114.4I39 A61 E66 P72 L73 L109I39-I69 HydrophobicContact CD1-CG2 4.41Å; I39-I69 HydrophobicContact CG2-CG2 4.19Å; A61-I69 HydrophobicContact CB-CG2 4.44Å; E66-I69 WeakPolarHBondContact O-CG1 3.42Å; E66-I69 PolarHBondContact O-N 3.46Å; I69-P72 WeakPolarHBondContact O-CD 3.42Å; I69-P72 WeakPolarHBondContact O-CG 3.09Å; I69-L73 HydrophobicContact CB-CD1 4.34Å; I69-L73 HydrophobicContact CD1-CD1 4.21Å; I69-L73 HydrophobicContact CG1-CD1 4.28Å; I69-L73 WeakPolarHBondContact O-CB 2.93Å; I69-L73 VanDerWaalsContact O-CD1 3.28Å; I69-L73 WeakPolarHBondContact O-CD1 3.43Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 3.48Å; I69-L109 HydrophobicContact CD1-CD1 4.32Å
70D93.7Very high93.3Very high40 Ų4044.8 Ų44.821%0.21424%0.244CC..Hα-helixtrans-71-41.1-178-90.7-8.4000113.1L73 T74 R115 H116D70-L73 PolarHBondContact O-N 2.9Å; D70-T74 PolarHBondContact O-N 2.79Å; D70-T74 PolarHBondContact O-OG1 2.58Å; D70-R115 IonicContact OD1-NH1 3.27Å; D70-R115 PolarHBondContact OD1-NH1 3.15Å; D70-R115 IonicContact OD2-NH1 3.64Å; D70-R115 PolarHBondContact OD2-NH1 3.49Å; D70-R115 VanDerWaalsContact OD2-NH1 3.11Å; D70-H116 WeakPolarHBondContact CA-NE2 3.36Å; D70-H116 VanDerWaalsContact CG-NE2 3.28Å; D70-H116 PolarHBondContact O-CE1 3.24Å; D70-H116 VanDerWaalsContact O-CE1 3.24Å; D70-H116 PolarHBondContact O-NE2 3.19Å; D70-H116 IonicContact OD1-CD2 2.73Å; D70-H116 IonicContact OD1-NE2 2.7Å; D70-H116 PolarHBondContact OD1-NE2 2.83Å; D70-H116 IonicContact OD2-NE2 3.11Å
71E94.9Very high93.4Very high142 Ų14239.7 Ų39.766%0.66422%0.218SC*.Hα-helixtrans-59.4-54.1176-174.5-176.6172.900112.7F59 L73 T74F59-E71 HydrophobicContact CE1-CG 3.9Å; E71-L73 PolarHBondContact O-N 2.9Å; E71-L73 VanDerWaalsContact O-N 3.17Å; E71-T74 WeakPolarHBondContact O-CB 3.31Å; E71-T74 PolarHBondContact O-N 3.01Å; E71-T74 VanDerWaalsContact O-N 3.15Å
72P96.5Very high93.6Very high1 Ų140.3 Ų40.31%0.00622%0.221CC..Hα-helixtrans-65.2-20.5-179.823.3-33.5000113.8V9 R37 I39 F59 I69V9-P72 VanDerWaalsContact CG2-O 3.24Å; V9-P72 WeakPolarHBondContact CG2-O 3.37Å; R37-P72 WeakPolarHBondContact CD-O 3.3Å; R37-P72 PolarHBondContact NH1-O 2.94Å; I39-P72 HydrophobicContact CD1-CB 3.7Å; I39-P72 HydrophobicContact CD1-CG 3.5Å; I39-P72 VanDerWaalsContact CD1-CG 3.5Å; I39-P72 HydrophobicContact CG1-CB 3.76Å; I39-P72 HydrophobicContact CG1-CG 3.81Å; F59-P72 HydrophobicContact CB-CB 4.15Å; F59-P72 HydrophobicContact CB-CG 4.23Å; F59-P72 HydrophobicContact CD1-CB 3.91Å; F59-P72 HydrophobicContact CD1-CG 4.2Å; F59-P72 HydrophobicContact CD2-CB 3.69Å; F59-P72 HydrophobicContact CE1-CB 4.2Å; F59-P72 HydrophobicContact CE2-CB 3.99Å; F59-P72 HydrophobicContact CG-CB 3.64Å; F59-P72 HydrophobicContact CG-CG 4.11Å; F59-P72 HydrophobicContact CZ-CB 4.23Å; I69-P72 WeakPolarHBondContact O-CD 3.42Å; I69-P72 WeakPolarHBondContact O-CG 3.09Å
73L97.3Very high93.8Very high0 Ų039.9 Ų39.90%022%0.222CC..Hα-helixtrans-85.6-16.9177.7-68.4175.2000113.4V9 I69 D70 E71 G75 A76 V79 L109 S112 H116 I118V9-L73 HydrophobicContact CB-CD2 4.45Å; V9-L73 HydrophobicContact CG1-CD2 4.06Å; V9-L73 HydrophobicContact CG2-CD2 4.29Å; I69-L73 HydrophobicContact CB-CD1 4.34Å; I69-L73 HydrophobicContact CD1-CD1 4.21Å; I69-L73 HydrophobicContact CG1-CD1 4.28Å; I69-L73 WeakPolarHBondContact O-CB 2.93Å; I69-L73 VanDerWaalsContact O-CD1 3.28Å; I69-L73 WeakPolarHBondContact O-CD1 3.43Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 3.48Å; D70-L73 PolarHBondContact O-N 2.9Å; E71-L73 PolarHBondContact O-N 2.9Å; E71-L73 VanDerWaalsContact O-N 3.17Å; L73-G75 PolarHBondContact O-N 3.48Å; L73-G75 VanDerWaalsContact O-N 3.09Å; L73-A76 WeakPolarHBondContact O-CB 3.34Å; L73-A76 PolarHBondContact O-N 2.83Å; L73-V79 HydrophobicContact CD2-CG2 3.77Å; L73-L109 HydrophobicContact CD1-CD1 4.31Å; L73-L109 HydrophobicContact CD2-CD1 4.34Å; L73-S112 VanDerWaalsContact CD1-CB 3.43Å; L73-H116 HydrophobicContact CB-CB 4.24Å; L73-I118 HydrophobicContact CB-CD1 3.8Å; L73-I118 HydrophobicContact CD2-CD1 3.51Å; L73-I118 HydrophobicContact CG-CD1 4.14Å
74T96.2Very high94Very high77 Ų7740.9 Ų40.947%0.47223%0.231SC..THydrogen-bonded Turntrans-62.7114.3-174.6-64.80000112.1R37 D70 E71 A76 H116R37-T74 PolarHBondContact NH1-O 3.45Å; R37-T74 PolarHBondContact NH2-O 3.13Å; D70-T74 PolarHBondContact O-N 2.79Å; D70-T74 PolarHBondContact O-OG1 2.58Å; E71-T74 WeakPolarHBondContact O-CB 3.31Å; E71-T74 PolarHBondContact O-N 3.01Å; E71-T74 VanDerWaalsContact O-N 3.15Å; T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 2.73Å; T74-H116 PolarHBondContact OG1-CE1 3.12Å
75G96.2Very high94.2Very high47 Ų4743.4 Ų43.449%0.48524%0.238SC..THydrogen-bonded Turntrans775.3-179.100000114.9L73L73-G75 PolarHBondContact O-N 3.48Å; L73-G75 VanDerWaalsContact O-N 3.09Å
76A97.9Very high94.4Very high7 Ų742.2 Ų42.26%0.05823%0.233CC..  trans-66.3155.2174.100000111.8I7 V9 L73 T74 I118I7-A76 HydrophobicContact CG2-CB 4.09Å; V9-A76 HydrophobicContact CG2-CB 3.5Å; L73-A76 WeakPolarHBondContact O-CB 3.34Å; L73-A76 PolarHBondContact O-N 2.83Å; T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 2.73Å; A76-I118 HydrophobicContact CB-CD1 3.77Å; A76-I118 HydrophobicContact CB-CG1 4.26Å
77T97.5Very high95Very high41 Ų4139.9 Ų39.925%0.25222%0.221SC..  trans-115-24.5-176.356.40000112.9D6 I7 P119 Y120D6-T77 WeakPolarHBondContact CA-OG1 3.34Å; D6-T77 VanDerWaalsContact CB-OG1 3.3Å; D6-T77 WeakPolarHBondContact CB-OG1 3.36Å; D6-T77 PolarHBondContact OD1-OG1 2.93Å; I7-T77 PolarHBondContact N-OG1 2.86Å; I7-T77 PolarHBondContact O-N 2.97Å; I7-T77 PolarHBondContact O-OG1 2.88Å; T77-P119 WeakPolarHBondContact O-CD 3.44Å; T77-Y120 WeakPolarHBondContact O-CD2 3.36Å
78I98.2Very high95.2Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-153.2144.5179.7-173.7162.9000110.5V8 V9 F80 Y120 I122 A240V8-I78 HydrophobicContact CB-CG2 4.36Å; V8-I78 HydrophobicContact CG1-CG2 4.42Å; V8-I78 HydrophobicContact CG2-CG2 3.77Å; V9-I78 PolarHBondContact N-O 3.06Å; I78-F80 HydrophobicContact CD1-CE2 4.39Å; I78-F80 HydrophobicContact CD1-CZ 4.23Å; I78-F80 HydrophobicContact CG1-CE2 4.37Å; I78-F80 HydrophobicContact CG2-CE2 4.23Å; I78-Y120 WeakPolarHBondContact CA-O 3.3Å; I78-I122 HydrophobicContact CD1-CG1 4.27Å; I78-A240 HydrophobicContact CD1-CB 3.46Å; I78-A240 VanDerWaalsContact CD1-CB 3.46Å
79V98.6Very high95.1Very high0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-117134.2174.2177.30000110.1V9 T11 L73 L109 M113 I118 Y120 L121 I122V9-V79 HydrophobicContact CB-CG2 4.05Å; V9-V79 HydrophobicContact CG1-CG2 4.4Å; V9-V79 CarbonylContact O-C 3.51Å; V9-V79 WeakPolarHBondContact O-CA 3.35Å; T11-V79 HydrophobicContact CG2-CG1 4.24Å; L73-V79 HydrophobicContact CD2-CG2 3.77Å; V79-L109 HydrophobicContact CG1-CD1 4.33Å; V79-L109 HydrophobicContact CG1-CD2 4.05Å; V79-M113 HydrophobicContact CB-CE 3.87Å; V79-M113 HydrophobicContact CB-SD 3.98Å; V79-M113 HydrophobicContact CG1-SD 4.45Å; V79-M113 HydrophobicContact CG2-CE 3.74Å; V79-M113 HydrophobicContact CG2-CG 3.96Å; V79-M113 HydrophobicContact CG2-SD 3.85Å; V79-I118 HydrophobicContact CG2-CD1 4.17Å; V79-I118 HydrophobicContact CG2-CG2 4.22Å; V79-Y120 PolarHBondContact N-O 2.78Å; V79-L121 HydrophobicContact CB-CD1 4.01Å; V79-L121 HydrophobicContact CG1-CD1 3.91Å; V79-L121 CarbonylContact O-C 3.55Å; V79-L121 WeakPolarHBondContact O-CA 3.18Å; V79-I122 PolarHBondContact O-N 3.38Å
80F98.8Very high94.6Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-104.1111.1164.4-63.7-91.7000108.9V8 V9 I10 T11 L21 I25 W29 I78 T82 I122 H236 L237 A240V8-F80 HydrophobicContact CG1-CD2 3.55Å; V8-F80 HydrophobicContact CG1-CE2 3.52Å; V9-F80 PolarHBondContact O-N 3.26Å; I10-F80 WeakPolarHBondContact CA-O 3.29Å; I10-F80 HydrophobicContact CG1-CB 4.3Å; I10-F80 HydrophobicContact CG1-CD2 4.32Å; I10-F80 HydrophobicContact CG2-CB 4.46Å; T11-F80 PolarHBondContact N-O 2.78Å; L21-F80 HydrophobicContact CD1-CD1 4.28Å; L21-F80 HydrophobicContact CD1-CE1 4.35Å; L21-F80 HydrophobicContact CD2-CB 3.45Å; L21-F80 VanDerWaalsContact CD2-CB 3.45Å; L21-F80 HydrophobicContact CD2-CD1 3.78Å; L21-F80 HydrophobicContact CD2-CD2 4.12Å; L21-F80 HydrophobicContact CD2-CG 3.53Å; I25-F80 HydrophobicContact CD1-CE2 4.46Å; W29-F80 HydrophobicContact CH2-CE2 4.37Å; W29-F80 AromaticContact CH2-CZ 3.72Å; W29-F80 HydrophobicContact CH2-CZ 3.72Å; W29-F80 HydrophobicContact CZ3-CE2 4Å; W29-F80 AromaticContact CZ3-CZ 3.78Å; W29-F80 HydrophobicContact CZ3-CZ 3.78Å; I78-F80 HydrophobicContact CD1-CE2 4.39Å; I78-F80 HydrophobicContact CD1-CZ 4.23Å; I78-F80 HydrophobicContact CG1-CE2 4.37Å; I78-F80 HydrophobicContact CG2-CE2 4.23Å; F80-T82 PolarHBondContact O-N 2.57Å; F80-I122 HydrophobicContact CD1-CB 3.65Å; F80-I122 HydrophobicContact CD1-CG1 3.97Å; F80-I122 HydrophobicContact CD1-CG2 4.09Å; F80-I122 HydrophobicContact CE1-CB 3.97Å; F80-I122 HydrophobicContact CE1-CG1 3.77Å; F80-I122 HydrophobicContact CE1-CG2 4.37Å; F80-I122 HydrophobicContact CG-CB 4.49Å; F80-H236 HydrophobicContact CD1-CB 3.97Å; F80-H236 HydrophobicContact CE1-CB 3.9Å; F80-L237 HydrophobicContact CE1-CD2 4.13Å; F80-L237 HydrophobicContact CZ-CD2 3.87Å; F80-A240 HydrophobicContact CE1-CB 3.96Å; F80-A240 HydrophobicContact CZ-CB 3.73Å
81H98.4Very high93.9Very high3 Ų332.5 Ų32.51%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-95.593.3-176.6-175.437.9000110.5T11 A83 T106 L109 L121 I122 Y123 T124T11-H81 PolarHBondContact OG1-ND1 3.04Å; H81-A83 PolarHBondContact CE1-O 3.24Å; H81-T106 PolarHBondContact CD2-OG1 3.27Å; H81-T106 PolarHBondContact NE2-OG1 3.49Å; H81-L109 HydrophobicContact CB-CD2 3.81Å; H81-L109 VanDerWaalsContact CG-CD2 3.49Å; H81-L109 WeakPolarHBondContact ND1-CD2 3.38Å; H81-L121 HydrophobicContact CB-CD1 3.74Å; H81-I122 PolarHBondContact N-O 2.6Å; H81-Y123 HydrophobicContact CB-CD2 4.35Å; H81-Y123 AromaticContact CD2-CD2 3.56Å; H81-Y123 AromaticContact CD2-CE2 3.6Å; H81-T124 PolarHBondContact O-N 3.44Å; H81-T124 VanDerWaalsContact O-N 3.11Å; H81-T124 PolarHBondContact O-OG1 2.84Å
82T97.6Very high93.1Very high18 Ų1828.4 Ų28.411%0.1117%0.168CC..  trans-107-13.3179.380.60000113.1I10 T11 G12 L17 L21 F80 A84I10-T82 HydrophobicContact CG2-CG2 4.4Å; T11-T82 CarbonylContact O-C 3.58Å; T11-T82 WeakPolarHBondContact O-CA 3.33Å; T11-T82 WeakPolarHBondContact O-CB 3.23Å; T11-T82 PolarHBondContact O-N 3.49Å; T11-T82 VanDerWaalsContact O-N 3.08Å; T11-T82 PolarHBondContact O-OG1 3.18Å; T11-T82 PolarHBondContact OG1-N 2.94Å; G12-T82 PolarHBondContact O-OG1 2.9Å; L17-T82 HydrophobicContact CD2-CG2 4.13Å; L17-T82 HydrophobicContact CG-CG2 4.33Å; L21-T82 HydrophobicContact CD2-CG2 4.37Å; F80-T82 PolarHBondContact O-N 2.57Å; T82-A84 PolarHBondContact O-N 2.91Å
83A96.3Very high92.3Very high25 Ų2529.5 Ų29.521%0.20718%0.176CC..  trans-62.2126.5176.700000111.1T11 V63 H81T11-A83 PolarHBondContact O-N 2.84Å; T11-A83 VanDerWaalsContact OG1-CB 3.24Å; T11-A83 WeakPolarHBondContact OG1-CB 3.04Å; T11-A83 PolarHBondContact OG1-N 3.3Å; V63-A83 HydrophobicContact CG2-CB 4.23Å; H81-A83 PolarHBondContact CE1-O 3.24Å
84A95Very high91.8Very high29 Ų2934 Ų3424%0.2420%0.201CC..  trans-160.8150.3170.900000110.1T82 Q86 N102T82-A84 PolarHBondContact O-N 2.91Å; A84-Q86 PolarHBondContact O-N 3.01Å; A84-N102 VanDerWaalsContact CA-OD1 3.25Å; A84-N102 WeakPolarHBondContact CA-OD1 3.39Å; A84-N102 WeakPolarHBondContact CB-OD1 3.35Å
85R93.8Very high91.6Very high75 Ų7535.7 Ų35.728%0.28320%0.198SC..PPolyproline II helixtrans-65.5126.3156.4179.2176.2-72.3-83.5-12108.8E88 Y98 D101 N102 Y158R85-E88 IonicContact NH1-OE1 3.94Å; R85-E88 PolarHBondContact NH1-OE1 3.05Å; R85-Y98 HydrophobicContact CB-CD1 4.12Å; R85-Y98 HydrophobicContact CB-CE1 4.04Å; R85-Y98 VanDerWaalsContact CD-CE1 3.49Å; R85-Y98 HydrophobicContact CG-CD1 3.88Å; R85-Y98 HydrophobicContact CG-CE1 3.43Å; R85-Y98 VanDerWaalsContact CG-CE1 3.43Å; R85-D101 HydrophobicContact CB-CB 3.92Å; R85-D101 IonicContact CZ-OD2 3.29Å; R85-D101 VanDerWaalsContact CZ-OD2 3.24Å; R85-D101 IonicContact NE-OD2 2.64Å; R85-D101 PolarHBondContact NE-OD2 3.29Å; R85-D101 IonicContact NH2-OD2 3.45Å; R85-D101 PolarHBondContact NH2-OD2 3.01Å; R85-N102 PolarHBondContact N-OD1 3.15Å; R85-N102 PolarHBondContact O-ND2 3.22Å; R85-Y158 WeakPolarHBondContact O-CD2 3.49Å; R85-Y158 WeakPolarHBondContact O-CE2 3.32Å
86Q92.7Very high91.5Very high79 Ų7938.7 Ų38.737%0.36920%0.2SC..PPolyproline II helixtrans-77.1164.5179.4-60.4-67.7-3.700112.3A84 E88 Y98 F200A84-Q86 PolarHBondContact O-N 3.01Å; Q86-E88 PolarHBondContact O-N 2.79Å; Q86-Y98 VanDerWaalsContact O-CE1 3.3Å; Q86-Y98 WeakPolarHBondContact O-CE1 3.42Å; Q86-Y98 PolarHBondContact O-OH 2.91Å; Q86-F200 HydrophobicContact CB-CD2 3.65Å; Q86-F200 HydrophobicContact CB-CE2 3.55Å; Q86-F200 HydrophobicContact CB-CG 4.28Å; Q86-F200 HydrophobicContact CB-CZ 4.09Å; Q86-F200 HydrophobicContact CG-CD2 4.09Å; Q86-F200 HydrophobicContact CG-CE2 4.46Å; Q86-F200 HydrophobicContact CG-CG 4.37Å
87F91Very high91.2Very high10 Ų1041.1 Ų41.14%0.04421%0.209CC..PPolyproline II helixtrans-66.1124.8178.9171.5-117.4000112.3F89 L155 R156 Y158 F200F87-F89 AromaticContact CD1-CD1 3.66Å; F87-F89 HydrophobicContact CD1-CD1 3.66Å; F87-F89 AromaticContact CD1-CE1 3.6Å; F87-F89 HydrophobicContact CD1-CE1 3.6Å; F87-F89 AromaticContact CE1-CD1 3.57Å; F87-F89 HydrophobicContact CE1-CD1 3.57Å; F87-F89 AromaticContact CE1-CE1 3.89Å; F87-F89 HydrophobicContact CE1-CE1 3.89Å; F87-L155 HydrophobicContact CD2-CB 4.32Å; F87-R156 HydrophobicContact CE2-CG 4.27Å; F87-Y158 HydrophobicContact CB-CD1 4Å; F87-Y158 HydrophobicContact CB-CD2 4.42Å; F87-Y158 HydrophobicContact CB-CG 3.93Å; F87-F200 HydrophobicContact CB-CZ 3.97Å; F87-F200 WeakPolarHBondContact O-CE2 3.18Å; F87-F200 WeakPolarHBondContact O-CZ 3.45Å
88E87.8Confident91.1Very high62 Ų6239.2 Ų39.229%0.2920%0.197SC..PPolyproline II helixtrans-86.7116.7178.9-75.9163.6-167.400110.4R85 Q86 G90 A93 Y98 N319R85-E88 IonicContact NH1-OE1 3.94Å; R85-E88 PolarHBondContact NH1-OE1 3.05Å; Q86-E88 PolarHBondContact O-N 2.79Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.1Å; E88-A93 WeakPolarHBondContact OE2-CA 3.45Å; E88-Y98 WeakPolarHBondContact CB-OH 3.25Å; E88-Y98 VanDerWaalsContact CG-OH 3.24Å; E88-Y98 WeakPolarHBondContact CG-OH 3.12Å; E88-Y98 PolarHBondContact N-OH 3.5Å; E88-N319 PolarHBondContact O-ND2 2.83Å
89F85.6Confident91Very high27 Ų2740.2 Ų40.212%0.11820%0.202CC..  trans-71.1-20.2-176.8-57.6-63.4000114.2F87 F200 F201 E204 P318 N319 T322 F326F87-F89 AromaticContact CD1-CD1 3.66Å; F87-F89 HydrophobicContact CD1-CD1 3.66Å; F87-F89 AromaticContact CD1-CE1 3.6Å; F87-F89 HydrophobicContact CD1-CE1 3.6Å; F87-F89 AromaticContact CE1-CD1 3.57Å; F87-F89 HydrophobicContact CE1-CD1 3.57Å; F87-F89 AromaticContact CE1-CE1 3.89Å; F87-F89 HydrophobicContact CE1-CE1 3.89Å; F89-F200 HydrophobicContact CD2-CE2 4.47Å; F89-F200 HydrophobicContact CD2-CZ 4.49Å; F89-F200 HydrophobicContact CE1-CE1 4.23Å; F89-F200 AromaticContact CE1-CZ 3.89Å; F89-F200 HydrophobicContact CE1-CZ 3.89Å; F89-F200 HydrophobicContact CE2-CD2 4.3Å; F89-F200 HydrophobicContact CE2-CE1 4.15Å; F89-F200 AromaticContact CE2-CE2 3.65Å; F89-F200 HydrophobicContact CE2-CE2 3.65Å; F89-F200 AromaticContact CE2-CZ 3.56Å; F89-F200 HydrophobicContact CE2-CZ 3.56Å; F89-F200 HydrophobicContact CZ-CD1 4.25Å; F89-F200 AromaticContact CZ-CE1 3.48Å; F89-F200 HydrophobicContact CZ-CE1 3.48Å; F89-F200 VanDerWaalsContact CZ-CE1 3.48Å; F89-F200 AromaticContact CZ-CE2 3.82Å; F89-F200 HydrophobicContact CZ-CE2 3.82Å; F89-F200 AromaticContact CZ-CZ 3.2Å; F89-F200 HydrophobicContact CZ-CZ 3.2Å; F89-F201 HydrophobicContact CE2-CB 4.36Å; F89-F201 HydrophobicContact CZ-CB 3.99Å; F89-E204 HydrophobicContact CD2-CB 4.19Å; F89-E204 HydrophobicContact CD2-CG 3.8Å; F89-E204 HydrophobicContact CE2-CB 4.19Å; F89-E204 HydrophobicContact CE2-CG 3.93Å; F89-P318 WeakPolarHBondContact O-CA 3.41Å; F89-N319 PolarHBondContact O-N 3.36Å; F89-N319 PolarHBondContact O-ND2 3.1Å; F89-N319 VanDerWaalsContact O-ND2 3.1Å; F89-T322 WeakPolarHBondContact CA-OG1 3.48Å; F89-T322 HydrophobicContact CB-CG2 4.06Å; F89-T322 HydrophobicContact CD1-CG2 3.92Å; F89-T322 HydrophobicContact CG-CG2 4.38Å; F89-T322 PolarHBondContact O-OG1 3.39Å; F89-F326 AromaticContact CD1-CE2 3.72Å; F89-F326 HydrophobicContact CD1-CE2 3.72Å; F89-F326 HydrophobicContact CD1-CZ 4.33Å; F89-F326 AromaticContact CE1-CE2 3.39Å; F89-F326 HydrophobicContact CE1-CE2 3.39Å; F89-F326 AromaticContact CE1-CZ 3.53Å; F89-F326 HydrophobicContact CE1-CZ 3.53Å; F89-F326 HydrophobicContact CZ-CE2 4.28Å; F89-F326 HydrophobicContact CZ-CZ 4.13Å
90G83.1Confident90.9Very high29 Ų2943.2 Ų43.230%0.29922%0.216SC..SBendtrans-77.4178.5-175.500000114.5E88 Y92 R156 N319E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.1Å; G90-Y92 PolarHBondContact O-N 2.86Å; G90-R156 PolarHBondContact O-NH1 3.32Å; G90-N319 WeakPolarHBondContact O-CB 3.43Å; G90-N319 PolarHBondContact O-ND2 3.24Å
91M79Confident90.7Very high11 Ų1143.9 Ų43.95%0.05422%0.22CC..SBendtrans-68-32.7-173.4-57.1-139.485.600113.8R156 V295 V298 Q299 L302 L317M91-R156 PolarHBondContact O-NH1 2.85Å; M91-V295 HydrophobicContact CE-CG1 4.21Å; M91-V298 HydrophobicContact CE-CG1 4.46Å; M91-V298 HydrophobicContact SD-CG1 3.83Å; M91-Q299 HydrophobicContact CE-CB 3.39Å; M91-Q299 HydrophobicContact CE-CG 3.72Å; M91-L302 HydrophobicContact CB-CD1 4.29Å; M91-L302 HydrophobicContact CG-CD1 4.27Å; M91-L302 HydrophobicContact SD-CD1 3.43Å; M91-L302 WeakPolarHBondContact SD-CD1 3.43Å; M91-L317 HydrophobicContact CG-CB 4.26Å; M91-L317 VanDerWaalsContact CG-O 3.31Å; M91-L317 WeakPolarHBondContact CG-O 3.47Å; M91-L317 HydrophobicContact SD-CB 4.18Å
92Y76.6Confident90.6Very high56 Ų5643.9 Ų43.922%0.2222%0.22CC..  trans-98.3144.1180-61.9-82.1000111.2G90 L302 T312 S313 N314G90-Y92 PolarHBondContact O-N 2.86Å; Y92-L302 HydrophobicContact CE2-CD1 4.49Å; Y92-T312 HydrophobicContact CD1-CG2 4.34Å; Y92-T312 HydrophobicContact CE1-CG2 4.16Å; Y92-S313 VanDerWaalsContact CE2-O 3.22Å; Y92-S313 WeakPolarHBondContact CE2-O 3.49Å; Y92-S313 PolarHBondContact OH-N 2.98Å; Y92-N314 WeakPolarHBondContact CD2-OD1 3.29Å
93A80.3Confident90.5Very high23 Ų2344.7 Ų44.719%0.1922%0.222CC..  trans-146.8132.3169.500000107.2E88 R95 Y98 R156 E157E88-A93 WeakPolarHBondContact OE2-CA 3.45Å; A93-R95 PolarHBondContact O-N 3.38Å; A93-Y98 HydrophobicContact CB-CE2 3.92Å; A93-R156 VanDerWaalsContact CB-NH2 3.33Å; A93-E157 HydrophobicContact CB-CG 4.48Å; A93-E157 VanDerWaalsContact CB-OE2 3.24Å; A93-E157 WeakPolarHBondContact CB-OE2 3.41Å
94N87.5Confident90.5Very high95 Ų9547.1 Ų47.151%0.50823%0.229SC..  trans-88.899.4178.7-176.3-19.8000109.8Q96 K97 Y98N94-Q96 VanDerWaalsContact C-N 3.27Å; N94-Q96 PolarHBondContact O-N 2.67Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.46Å; N94-Q96 PolarHBondContact OD1-N 2.76Å; N94-K97 HydrophobicContact CB-CB 3.88Å; N94-K97 PolarHBondContact O-N 2.8Å; N94-K97 VanDerWaalsContact O-N 3.1Å; N94-K97 PolarHBondContact OD1-N 3.35Å; N94-K97 VanDerWaalsContact OD1-N 3.14Å; N94-Y98 WeakPolarHBondContact O-CD2 3.27Å; N94-Y98 PolarHBondContact O-N 3.31Å
95R91.5Very high90.5Very high113 Ų11345.8 Ų45.843%0.42622%0.218SC..Hα-helixtrans-53.1-43.7179.4-171.8174.1174.5-86.3-2.3113A93 K97 Y98 M99 E157 E160A93-R95 PolarHBondContact O-N 3.38Å; R95-K97 VanDerWaalsContact C-N 3.32Å; R95-K97 PolarHBondContact O-N 2.95Å; R95-Y98 PolarHBondContact O-N 3.28Å; R95-M99 WeakPolarHBondContact O-CG 3.4Å; R95-M99 PolarHBondContact O-N 2.89Å; R95-E157 HydrophobicContact CB-CB 4.33Å; R95-E157 HydrophobicContact CB-CG 3.54Å; R95-E157 HydrophobicContact CG-CB 4.31Å; R95-E157 HydrophobicContact CG-CG 3.75Å; R95-E160 IonicContact CZ-OE1 3.7Å; R95-E160 IonicContact CZ-OE2 2.8Å; R95-E160 IonicContact NE-OE1 2.67Å; R95-E160 IonicContact NE-OE2 3.3Å; R95-E160 PolarHBondContact NE-OE2 3.46Å; R95-E160 IonicContact NH2-OE1 3.06Å; R95-E160 PolarHBondContact NH2-OE1 3.41Å; R95-E160 IonicContact NH2-OE2 3.67Å; R95-E160 PolarHBondContact NH2-OE2 2.95Å
96Q93.7Very high90.6Very high109 Ų10942.2 Ų42.251%0.50921%0.205SC..Hα-helixtrans-61.7-45.2-179.5-179.959.725.100110.2N94 Y98 M99 E100N94-Q96 VanDerWaalsContact C-N 3.27Å; N94-Q96 PolarHBondContact O-N 2.67Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.46Å; N94-Q96 PolarHBondContact OD1-N 2.76Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3Å; Q96-M99 PolarHBondContact O-N 3.43Å; Q96-M99 VanDerWaalsContact O-N 3.11Å; Q96-E100 VanDerWaalsContact CG-OE1 3.28Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.4Å; Q96-E100 PolarHBondContact NE2-OE1 3.09Å; Q96-E100 WeakPolarHBondContact O-CG 3.46Å; Q96-E100 PolarHBondContact O-N 3.17Å
97K93.2Very high90.7Very high58 Ų5840.7 Ų40.725%0.25220%0.196SC..Hα-helixtrans-65.7-34.5179.3-165.453.4170.6157.60113N94 R95 E100 D101N94-K97 HydrophobicContact CB-CB 3.88Å; N94-K97 PolarHBondContact O-N 2.8Å; N94-K97 VanDerWaalsContact O-N 3.1Å; N94-K97 PolarHBondContact OD1-N 3.35Å; N94-K97 VanDerWaalsContact OD1-N 3.14Å; R95-K97 VanDerWaalsContact C-N 3.32Å; R95-K97 PolarHBondContact O-N 2.95Å; K97-E100 WeakPolarHBondContact CD-OE2 3.07Å; K97-E100 IonicContact NZ-OE2 3.72Å; K97-E100 PolarHBondContact O-N 3.45Å; K97-D101 WeakPolarHBondContact CD-OD1 3.34Å; K97-D101 WeakPolarHBondContact CE-OD1 3.36Å; K97-D101 VanDerWaalsContact CE-OD2 3.28Å; K97-D101 WeakPolarHBondContact CE-OD2 3.33Å; K97-D101 IonicContact NZ-OD1 2.94Å; K97-D101 PolarHBondContact NZ-OD1 2.8Å; K97-D101 IonicContact NZ-OD2 3.98Å; K97-D101 VanDerWaalsContact O-CB 3.29Å; K97-D101 WeakPolarHBondContact O-CB 3.43Å; K97-D101 VanDerWaalsContact O-CG 3.29Å; K97-D101 PolarHBondContact O-N 2.87Å
98Y94.8Very high90.8Very high1 Ų141.5 Ų41.50%0.00420%0.201CC..Hα-helixtrans-65.5-40.9170.7-84.5-71.4000112.8R85 Q86 E88 A93 N94 R95 Q96 E100 N102 E157 Y158 S161R85-Y98 HydrophobicContact CB-CD1 4.12Å; R85-Y98 HydrophobicContact CB-CE1 4.04Å; R85-Y98 VanDerWaalsContact CD-CE1 3.49Å; R85-Y98 HydrophobicContact CG-CD1 3.88Å; R85-Y98 HydrophobicContact CG-CE1 3.43Å; R85-Y98 VanDerWaalsContact CG-CE1 3.43Å; Q86-Y98 VanDerWaalsContact O-CE1 3.3Å; Q86-Y98 WeakPolarHBondContact O-CE1 3.42Å; Q86-Y98 PolarHBondContact O-OH 2.91Å; E88-Y98 WeakPolarHBondContact CB-OH 3.25Å; E88-Y98 VanDerWaalsContact CG-OH 3.24Å; E88-Y98 WeakPolarHBondContact CG-OH 3.12Å; E88-Y98 PolarHBondContact N-OH 3.5Å; A93-Y98 HydrophobicContact CB-CE2 3.92Å; N94-Y98 WeakPolarHBondContact O-CD2 3.27Å; N94-Y98 PolarHBondContact O-N 3.31Å; R95-Y98 PolarHBondContact O-N 3.28Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-N102 WeakPolarHBondContact O-CB 3.24Å; Y98-N102 PolarHBondContact O-N 3.03Å; Y98-N102 VanDerWaalsContact O-N 3.13Å; Y98-E157 HydrophobicContact CD2-CB 3.57Å; Y98-E157 HydrophobicContact CE2-CB 4.24Å; Y98-E157 HydrophobicContact CG-CB 4Å; Y98-Y158 HydrophobicContact CD1-CD2 4.42Å; Y98-Y158 AromaticContact CE1-CD2 3.96Å; Y98-Y158 HydrophobicContact CE1-CD2 3.96Å; Y98-Y158 HydrophobicContact CE1-CG 4.3Å; Y98-S161 WeakPolarHBondContact O-CB 3.43Å
99M95.5Very high91.2Very high21 Ų2138.6 Ų38.610%0.10319%0.187CC..Iπ-helixtrans-66.7-37.2176.5-66.7-59.9122.300111.6R95 Q96 F103 Q104 E160R95-M99 WeakPolarHBondContact O-CG 3.4Å; R95-M99 PolarHBondContact O-N 2.89Å; Q96-M99 PolarHBondContact O-N 3.43Å; Q96-M99 VanDerWaalsContact O-N 3.11Å; M99-F103 CarbonylContact O-C 3.32Å; M99-F103 WeakPolarHBondContact O-CA 3.4Å; M99-F103 WeakPolarHBondContact O-CB 3.28Å; M99-F103 PolarHBondContact O-N 3.06Å; M99-F103 VanDerWaalsContact O-N 3.12Å; M99-Q104 PolarHBondContact O-N 3.14Å; M99-E160 HydrophobicContact CE-CB 3.97Å; M99-E160 HydrophobicContact CE-CG 3.74Å
100E95.7Very high91.6Very high64 Ų6437.3 Ų37.330%0.29918%0.181SC..Iπ-helixtrans-66.2-61.7174.7-72.5166.2-17400111.5Q96 K97 Y98 N102 A105Q96-E100 VanDerWaalsContact CG-OE1 3.28Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.4Å; Q96-E100 PolarHBondContact NE2-OE1 3.09Å; Q96-E100 WeakPolarHBondContact O-CG 3.46Å; Q96-E100 PolarHBondContact O-N 3.17Å; K97-E100 WeakPolarHBondContact CD-OE2 3.07Å; K97-E100 IonicContact NZ-OE2 3.72Å; K97-E100 PolarHBondContact O-N 3.45Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; E100-N102 VanDerWaalsContact C-N 3.29Å; E100-N102 PolarHBondContact O-N 3.42Å; E100-A105 PolarHBondContact O-N 3.17Å
101D95.3Very high92.1Very high14 Ų1439.7 Ų39.78%0.07518%0.183CC..Iπ-helixtrans-68.5-26.1-169.7-68.9-8000113.5R85 K97 A105R85-D101 HydrophobicContact CB-CB 3.92Å; R85-D101 IonicContact CZ-OD2 3.29Å; R85-D101 VanDerWaalsContact CZ-OD2 3.24Å; R85-D101 IonicContact NE-OD2 2.64Å; R85-D101 PolarHBondContact NE-OD2 3.29Å; R85-D101 IonicContact NH2-OD2 3.45Å; R85-D101 PolarHBondContact NH2-OD2 3.01Å; K97-D101 WeakPolarHBondContact CD-OD1 3.34Å; K97-D101 WeakPolarHBondContact CE-OD1 3.36Å; K97-D101 VanDerWaalsContact CE-OD2 3.28Å; K97-D101 WeakPolarHBondContact CE-OD2 3.33Å; K97-D101 IonicContact NZ-OD1 2.94Å; K97-D101 PolarHBondContact NZ-OD1 2.8Å; K97-D101 IonicContact NZ-OD2 3.98Å; K97-D101 VanDerWaalsContact O-CB 3.29Å; K97-D101 WeakPolarHBondContact O-CB 3.43Å; K97-D101 VanDerWaalsContact O-CG 3.29Å; K97-D101 PolarHBondContact O-N 2.87Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.5Å
102N97Very high92.8Very high2 Ų239.1 Ų39.11%0.01118%0.181CC..Iπ-helixtrans-106.7-63.1-179.8-63.6-7.5000110.7A84 R85 Y98 E100 T106 S161A84-N102 VanDerWaalsContact CA-OD1 3.25Å; A84-N102 WeakPolarHBondContact CA-OD1 3.39Å; A84-N102 WeakPolarHBondContact CB-OD1 3.35Å; R85-N102 PolarHBondContact N-OD1 3.15Å; R85-N102 PolarHBondContact O-ND2 3.22Å; Y98-N102 WeakPolarHBondContact O-CB 3.24Å; Y98-N102 PolarHBondContact O-N 3.03Å; Y98-N102 VanDerWaalsContact O-N 3.13Å; E100-N102 VanDerWaalsContact C-N 3.29Å; E100-N102 PolarHBondContact O-N 3.42Å; N102-T106 WeakPolarHBondContact O-CB 3.41Å; N102-T106 PolarHBondContact O-N 3.09Å; N102-T106 VanDerWaalsContact O-N 3.09Å; N102-T106 PolarHBondContact O-OG1 2.56Å; N102-S161 WeakPolarHBondContact CB-OG 3.28Å; N102-S161 PolarHBondContact ND2-OG 2.82Å
103F95.9Very high93.7Very high36 Ų3636.5 Ų36.516%0.15817%0.17CC..Iπ-helixtrans-76.2-46.7-169-179.4-135.4000113.8M99 T106 K107 R164 S165 W168M99-F103 CarbonylContact O-C 3.32Å; M99-F103 WeakPolarHBondContact O-CA 3.4Å; M99-F103 WeakPolarHBondContact O-CB 3.28Å; M99-F103 PolarHBondContact O-N 3.06Å; M99-F103 VanDerWaalsContact O-N 3.12Å; F103-T106 PolarHBondContact O-N 3.19Å; F103-K107 VanDerWaalsContact CE2-CE 3.48Å; F103-K107 HydrophobicContact CZ-CD 4.46Å; F103-K107 PolarHBondContact O-N 3.38Å; F103-R164 HydrophobicContact CD1-CB 4.39Å; F103-R164 HydrophobicContact CD2-CB 4.12Å; F103-R164 HydrophobicContact CE1-CB 4.41Å; F103-R164 HydrophobicContact CE2-CB 4.15Å; F103-R164 WeakPolarHBondContact CE2-O 3.34Å; F103-R164 HydrophobicContact CG-CB 4.22Å; F103-R164 HydrophobicContact CZ-CB 4.27Å; F103-S165 VanDerWaalsContact CA-OG 3.3Å; F103-S165 WeakPolarHBondContact CA-OG 3.32Å; F103-W168 HydrophobicContact CE2-CB 3.79Å; F103-W168 HydrophobicContact CE2-CG 4.16Å; F103-W168 HydrophobicContact CZ-CB 4.36Å
104Q94.6Very high94.3Very high75 Ų7536.6 Ų36.635%0.3517%0.168SC..Iπ-helixtrans-70.7-42.6179.9-174.85921.800110.9M99 T106 K107 Q108M99-Q104 PolarHBondContact O-N 3.14Å; Q104-T106 VanDerWaalsContact C-N 3.32Å; Q104-T106 PolarHBondContact O-N 3.23Å; Q104-K107 WeakPolarHBondContact O-CB 3.39Å; Q104-K107 PolarHBondContact O-N 3.11Å; Q104-Q108 PolarHBondContact O-N 3.01Å; Q104-Q108 PolarHBondContact O-OE1 2.89Å
105A95.7Very high94.6Very high1 Ų138.1 Ų38.11%0.00817%0.166CC..Hα-helixtrans-54.4-45.3172.200000112.2V63 V64 E100 D101 K107 Q108 L109V63-A105 HydrophobicContact CB-CB 4.36Å; V63-A105 HydrophobicContact CG1-CB 4.12Å; V64-A105 HydrophobicContact CG2-CB 3.92Å; E100-A105 PolarHBondContact O-N 3.17Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.5Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.22Å; A105-Q108 PolarHBondContact O-N 3.18Å; A105-L109 WeakPolarHBondContact O-CB 3.43Å; A105-L109 PolarHBondContact O-N 3.44Å
106T96.3Very high94.7Very high1 Ų134.7 Ų34.71%0.00616%0.155CC..Hα-helixtrans-59.5-39.7175-66.40000112.2H81 N102 F103 Q104 V110 Y123 L169H81-T106 PolarHBondContact CD2-OG1 3.27Å; H81-T106 PolarHBondContact NE2-OG1 3.49Å; N102-T106 WeakPolarHBondContact O-CB 3.41Å; N102-T106 PolarHBondContact O-N 3.09Å; N102-T106 VanDerWaalsContact O-N 3.09Å; N102-T106 PolarHBondContact O-OG1 2.56Å; F103-T106 PolarHBondContact O-N 3.19Å; Q104-T106 VanDerWaalsContact C-N 3.32Å; Q104-T106 PolarHBondContact O-N 3.23Å; T106-V110 WeakPolarHBondContact O-CG2 3.29Å; T106-V110 PolarHBondContact O-N 3.36Å; T106-V110 VanDerWaalsContact O-N 3.16Å; T106-Y123 HydrophobicContact CG2-CE2 4.28Å; T106-L169 HydrophobicContact CG2-CD1 3.65Å; T106-L169 HydrophobicContact CG2-CD2 3.99Å; T106-L169 HydrophobicContact CG2-CG 3.91Å
107K94.2Very high94.7Very high46 Ų4640.1 Ų40.120%0.217%0.171CC..Hα-helixtrans-67.1-46.9177.5-71.3-178.5179.2172.10112.3F103 Q104 A105 L109 V110 F111 W168F103-K107 VanDerWaalsContact CE2-CE 3.48Å; F103-K107 HydrophobicContact CZ-CD 4.46Å; F103-K107 PolarHBondContact O-N 3.38Å; Q104-K107 WeakPolarHBondContact O-CB 3.39Å; Q104-K107 PolarHBondContact O-N 3.11Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.22Å; K107-L109 VanDerWaalsContact C-N 3.31Å; K107-L109 PolarHBondContact O-N 2.9Å; K107-V110 PolarHBondContact O-N 3.49Å; K107-F111 HydrophobicContact CB-CE2 4.42Å; K107-F111 HydrophobicContact CB-CZ 4.43Å; K107-F111 WeakPolarHBondContact O-CD1 3.34Å; K107-F111 WeakPolarHBondContact O-CG 3.46Å; K107-F111 PolarHBondContact O-N 2.77Å; K107-W168 HydrophobicContact CB-CH2 4.08Å; K107-W168 HydrophobicContact CB-CZ2 4.45Å; K107-W168 HydrophobicContact CB-CZ3 4.27Å; K107-W168 HydrophobicContact CD-CZ2 4.49Å; K107-W168 HydrophobicContact CG-CD2 3.99Å; K107-W168 HydrophobicContact CG-CE3 3.88Å; K107-W168 HydrophobicContact CG-CH2 3.78Å; K107-W168 HydrophobicContact CG-CZ2 3.88Å; K107-W168 HydrophobicContact CG-CZ3 3.77Å
108Q93.4Very high94.8Very high28 Ų2837.5 Ų37.513%0.13116%0.16CC..Hα-helixtrans-58.7-45.9177.9-75.5164.9-44.200110.7V64 Q104 A105 V110 F111 S112V64-Q108 PolarHBondContact O-NE2 3.35Å; V64-Q108 PolarHBondContact O-OE1 2.89Å; Q104-Q108 PolarHBondContact O-N 3.01Å; Q104-Q108 PolarHBondContact O-OE1 2.89Å; A105-Q108 PolarHBondContact O-N 3.18Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.77Å; Q108-F111 WeakPolarHBondContact O-CB 3.43Å; Q108-F111 PolarHBondContact O-N 2.73Å; Q108-S112 PolarHBondContact O-N 2.9Å; Q108-S112 PolarHBondContact O-OG 2.59Å
109L95.9Very high94.8Very high0 Ų039.8 Ų39.80%018%0.175CC..Hα-helixtrans-54.2-48.3174.2178.962000111.8T11 V63 I69 L73 V79 H81 A105 K107 F111 S112 M113T11-L109 HydrophobicContact CG2-CD1 4.17Å; T11-L109 HydrophobicContact CG2-CD2 3.93Å; V63-L109 HydrophobicContact CG1-CB 4.07Å; I69-L109 HydrophobicContact CD1-CD1 4.32Å; L73-L109 HydrophobicContact CD1-CD1 4.31Å; L73-L109 HydrophobicContact CD2-CD1 4.34Å; V79-L109 HydrophobicContact CG1-CD1 4.33Å; V79-L109 HydrophobicContact CG1-CD2 4.05Å; H81-L109 HydrophobicContact CB-CD2 3.81Å; H81-L109 VanDerWaalsContact CG-CD2 3.49Å; H81-L109 WeakPolarHBondContact ND1-CD2 3.38Å; A105-L109 WeakPolarHBondContact O-CB 3.43Å; A105-L109 PolarHBondContact O-N 3.44Å; K107-L109 VanDerWaalsContact C-N 3.31Å; K107-L109 PolarHBondContact O-N 2.9Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-F111 PolarHBondContact O-N 2.73Å; L109-S112 PolarHBondContact O-N 3.43Å; L109-M113 HydrophobicContact CD1-CG 4.39Å; L109-M113 HydrophobicContact CG-CG 4.46Å; L109-M113 HydrophobicContact CG-SD 4.21Å; L109-M113 WeakPolarHBondContact O-CB 3.06Å; L109-M113 WeakPolarHBondContact O-CG 3.5Å; L109-M113 PolarHBondContact O-N 3.42Å
110V94.8Very high94.9Very high0 Ų041 Ų410%018%0.178CC..Hα-helixtrans-64.6-36.1177.9171.10000112.1T106 K107 Q108 M113 I114 L121 W168 L169 P175 F177 V183T106-V110 WeakPolarHBondContact O-CG2 3.29Å; T106-V110 PolarHBondContact O-N 3.36Å; T106-V110 VanDerWaalsContact O-N 3.16Å; K107-V110 PolarHBondContact O-N 3.49Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.77Å; V110-M113 PolarHBondContact O-N 2.7Å; V110-I114 HydrophobicContact CG1-CD1 4.28Å; V110-I114 WeakPolarHBondContact O-CG1 3.27Å; V110-I114 PolarHBondContact O-N 3.2Å; V110-I114 VanDerWaalsContact O-N 3.1Å; V110-L121 HydrophobicContact CG2-CD2 3.95Å; V110-W168 HydrophobicContact CB-CH2 3.83Å; V110-W168 HydrophobicContact CB-CZ3 3.98Å; V110-W168 HydrophobicContact CG1-CH2 3.83Å; V110-W168 HydrophobicContact CG1-CZ3 4.26Å; V110-W168 HydrophobicContact CG2-CH2 4.25Å; V110-W168 HydrophobicContact CG2-CZ3 3.89Å; V110-L169 HydrophobicContact CG2-CD2 3.62Å; V110-P175 HydrophobicContact CG1-CG 4.11Å; V110-F177 HydrophobicContact CG1-CE2 4.12Å; V110-F177 HydrophobicContact CG1-CZ 3.98Å; V110-V183 HydrophobicContact CG1-CG2 4.16Å
111F92.8Very high95Very high79 Ų7938 Ų3835%0.34616%0.164SC..Hα-helixtrans-63.3-46.7175.4-63.1-15.7000111.5K107 Q108 L109 I114 R115 W168 F177K107-F111 HydrophobicContact CB-CE2 4.42Å; K107-F111 HydrophobicContact CB-CZ 4.43Å; K107-F111 WeakPolarHBondContact O-CD1 3.34Å; K107-F111 WeakPolarHBondContact O-CG 3.46Å; K107-F111 PolarHBondContact O-N 2.77Å; Q108-F111 WeakPolarHBondContact O-CB 3.43Å; Q108-F111 PolarHBondContact O-N 2.73Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-F111 PolarHBondContact O-N 2.73Å; F111-I114 PolarHBondContact O-N 2.93Å; F111-R115 PolarHBondContact O-N 2.96Å; F111-R115 VanDerWaalsContact O-N 3.14Å; F111-W168 HydrophobicContact CE1-CH2 4.31Å; F111-W168 HydrophobicContact CE1-CZ2 4.17Å; F111-F177 HydrophobicContact CD1-CD1 4.5Å; F111-F177 AromaticContact CD1-CE1 3.19Å; F111-F177 HydrophobicContact CD1-CE1 3.19Å; F111-F177 AromaticContact CD1-CZ 3.36Å; F111-F177 HydrophobicContact CD1-CZ 3.36Å; F111-F177 AromaticContact CE1-CE1 3.31Å; F111-F177 HydrophobicContact CE1-CE1 3.31Å; F111-F177 AromaticContact CE1-CZ 3.43Å; F111-F177 HydrophobicContact CE1-CZ 3.43Å; F111-F177 VanDerWaalsContact CE1-CZ 3.43Å; F111-F177 HydrophobicContact CG-CE1 4.32Å
112S94.3Very high95.1Very high0 Ų037.3 Ų37.30%016%0.16CC..Hα-helixtrans-65.5-40.9175.3-57.60000111.5L73 Q108 L109 I114 R115 H116L73-S112 VanDerWaalsContact CD1-CB 3.43Å; Q108-S112 PolarHBondContact O-N 2.9Å; Q108-S112 PolarHBondContact O-OG 2.59Å; L109-S112 PolarHBondContact O-N 3.43Å; S112-I114 PolarHBondContact O-N 3.45Å; S112-R115 WeakPolarHBondContact O-CB 3.18Å; S112-R115 PolarHBondContact O-N 2.87Å; S112-R115 VanDerWaalsContact O-N 3.14Å; S112-H116 PolarHBondContact O-CD2 3.38Å; S112-H116 PolarHBondContact O-N 3.2Å
113M95Very high95.2Very high0 Ų037.3 Ų37.30%016%0.16CC..Hα-helixtrans-54.8-40174.8-76178.273.900112.1V79 L109 V110 H116 R117 I118 Y120 L121 V183V79-M113 HydrophobicContact CB-CE 3.87Å; V79-M113 HydrophobicContact CB-SD 3.98Å; V79-M113 HydrophobicContact CG1-SD 4.45Å; V79-M113 HydrophobicContact CG2-CE 3.74Å; V79-M113 HydrophobicContact CG2-CG 3.96Å; V79-M113 HydrophobicContact CG2-SD 3.85Å; L109-M113 HydrophobicContact CD1-CG 4.39Å; L109-M113 HydrophobicContact CG-CG 4.46Å; L109-M113 HydrophobicContact CG-SD 4.21Å; L109-M113 WeakPolarHBondContact O-CB 3.06Å; L109-M113 WeakPolarHBondContact O-CG 3.5Å; L109-M113 PolarHBondContact O-N 3.42Å; V110-M113 PolarHBondContact O-N 2.7Å; M113-H116 CarbonylContact O-C 3.56Å; M113-H116 PolarHBondContact O-N 3.05Å; M113-R117 PolarHBondContact O-N 2.81Å; M113-I118 HydrophobicContact CB-CB 4.12Å; M113-I118 HydrophobicContact CB-CD1 4.46Å; M113-I118 HydrophobicContact CE-CB 4.02Å; M113-I118 HydrophobicContact CE-CG2 3.71Å; M113-I118 HydrophobicContact CG-CB 4.3Å; M113-I118 HydrophobicContact CG-CD1 4.13Å; M113-I118 PolarHBondContact O-N 3.03Å; M113-Y120 VanDerWaalsContact CE-O 3.27Å; M113-Y120 WeakPolarHBondContact CE-O 3.31Å; M113-L121 HydrophobicContact CE-CB 3.9Å; M113-L121 HydrophobicContact CE-CD1 4.49Å; M113-L121 HydrophobicContact SD-CB 4.3Å; M113-L121 HydrophobicContact SD-CD1 4.09Å; M113-V183 HydrophobicContact CB-CG2 4.06Å; M113-V183 HydrophobicContact CE-CG1 3.56Å; M113-V183 HydrophobicContact CE-CG2 4.29Å; M113-V183 HydrophobicContact SD-CG1 4.33Å
114I93.9Very high95.3Very high26 Ų2635.9 Ų35.913%0.13316%0.155CC..Hα-helixtrans-70.2-42.9178.6-75.8173.5000112.2V110 F111 S112 H116 R117 F177 S181 V183V110-I114 HydrophobicContact CG1-CD1 4.28Å; V110-I114 WeakPolarHBondContact O-CG1 3.27Å; V110-I114 PolarHBondContact O-N 3.2Å; V110-I114 VanDerWaalsContact O-N 3.1Å; F111-I114 PolarHBondContact O-N 2.93Å; S112-I114 PolarHBondContact O-N 3.45Å; I114-H116 PolarHBondContact O-N 2.74Å; I114-R117 PolarHBondContact O-N 3.2Å; I114-F177 HydrophobicContact CD1-CB 4.48Å; I114-F177 HydrophobicContact CD1-CD1 3.86Å; I114-F177 HydrophobicContact CD1-CD2 2.97Å; I114-F177 HydrophobicContact CD1-CE1 3.78Å; I114-F177 HydrophobicContact CD1-CE2 2.91Å; I114-F177 HydrophobicContact CD1-CG 3.49Å; I114-F177 VanDerWaalsContact CD1-CG 3.49Å; I114-F177 HydrophobicContact CD1-CZ 3.33Å; I114-F177 HydrophobicContact CG1-CD2 4.43Å; I114-F177 HydrophobicContact CG1-CE2 4.38Å; I114-S181 WeakPolarHBondContact CG2-OG 3.29Å; I114-V183 HydrophobicContact CD1-CG2 4.2Å; I114-V183 HydrophobicContact CG1-CG2 3.72Å
115R92.4Very high95.4Very high127 Ų12732.5 Ų32.548%0.47914%0.14SC..Hα-helixtrans-54.6-41.7172.8-178.7-175.4-63.3139.67.5111.2E66 D70 F111 S112 R117E66-R115 IonicContact OE1-CZ 2.85Å; E66-R115 VanDerWaalsContact OE1-CZ 3.24Å; E66-R115 IonicContact OE1-NH1 3.57Å; E66-R115 PolarHBondContact OE1-NH1 3.25Å; E66-R115 IonicContact OE1-NH2 3.51Å; E66-R115 PolarHBondContact OE1-NH2 2.76Å; D70-R115 IonicContact OD1-NH1 3.27Å; D70-R115 PolarHBondContact OD1-NH1 3.15Å; D70-R115 IonicContact OD2-NH1 3.64Å; D70-R115 PolarHBondContact OD2-NH1 3.49Å; D70-R115 VanDerWaalsContact OD2-NH1 3.11Å; F111-R115 PolarHBondContact O-N 2.96Å; F111-R115 VanDerWaalsContact O-N 3.14Å; S112-R115 WeakPolarHBondContact O-CB 3.18Å; S112-R115 PolarHBondContact O-N 2.87Å; S112-R115 VanDerWaalsContact O-N 3.14Å; R115-R117 VanDerWaalsContact C-N 3.33Å
116H94.3Very high95.4Very high41 Ų4133.3 Ų33.319%0.1914%0.144CC..THydrogen-bonded Turntrans-88.15179.1-68.5-73.1000114.3D70 L73 T74 S112 M113 I114 I118D70-H116 WeakPolarHBondContact CA-NE2 3.36Å; D70-H116 VanDerWaalsContact CG-NE2 3.28Å; D70-H116 PolarHBondContact O-CE1 3.24Å; D70-H116 VanDerWaalsContact O-CE1 3.24Å; D70-H116 PolarHBondContact O-NE2 3.19Å; D70-H116 IonicContact OD1-CD2 2.73Å; D70-H116 IonicContact OD1-NE2 2.7Å; D70-H116 PolarHBondContact OD1-NE2 2.83Å; D70-H116 IonicContact OD2-NE2 3.11Å; L73-H116 HydrophobicContact CB-CB 4.24Å; T74-H116 PolarHBondContact OG1-CE1 3.12Å; S112-H116 PolarHBondContact O-CD2 3.38Å; S112-H116 PolarHBondContact O-N 3.2Å; M113-H116 CarbonylContact O-C 3.56Å; M113-H116 PolarHBondContact O-N 3.05Å; I114-H116 PolarHBondContact O-N 2.74Å; H116-I118 VanDerWaalsContact C-N 3.27Å; H116-I118 HydrophobicContact CB-CD1 4.12Å; H116-I118 HydrophobicContact CB-CG1 3.97Å; H116-I118 PolarHBondContact O-N 2.81Å
117R94.1Very high95.3Very high223 Ų22333.3 Ų33.384%0.84214%0.144SC*.THydrogen-bonded Turntrans54.937.3179.4-55.7179.5179.4149.10.9113.9M113 I114 R115 P119M113-R117 PolarHBondContact O-N 2.81Å; I114-R117 PolarHBondContact O-N 3.2Å; R115-R117 VanDerWaalsContact C-N 3.33Å; R117-P119 VanDerWaalsContact O-CD 3.3Å; R117-P119 WeakPolarHBondContact O-CD 3.37Å
118I95.6Very high95.2Very high3 Ų331.1 Ų31.12%0.01513%0.134CC..  trans-82.6115.7177.2-51.7174.7000109L73 A76 V79 M113 H116L73-I118 HydrophobicContact CB-CD1 3.8Å; L73-I118 HydrophobicContact CD2-CD1 3.51Å; L73-I118 HydrophobicContact CG-CD1 4.14Å; A76-I118 HydrophobicContact CB-CD1 3.77Å; A76-I118 HydrophobicContact CB-CG1 4.26Å; V79-I118 HydrophobicContact CG2-CD1 4.17Å; V79-I118 HydrophobicContact CG2-CG2 4.22Å; M113-I118 HydrophobicContact CB-CB 4.12Å; M113-I118 HydrophobicContact CB-CD1 4.46Å; M113-I118 HydrophobicContact CE-CB 4.02Å; M113-I118 HydrophobicContact CE-CG2 3.71Å; M113-I118 HydrophobicContact CG-CB 4.3Å; M113-I118 HydrophobicContact CG-CD1 4.13Å; M113-I118 PolarHBondContact O-N 3.03Å; H116-I118 VanDerWaalsContact C-N 3.27Å; H116-I118 HydrophobicContact CB-CD1 4.12Å; H116-I118 HydrophobicContact CB-CG1 3.97Å; H116-I118 PolarHBondContact O-N 2.81Å
119P94.1Very high95.1Very high49 Ų4930 Ų3032%0.31813%0.13SC..  trans-80.4-24.4-170.228.2-34.5000115T77 R117 K184T77-P119 WeakPolarHBondContact O-CD 3.44Å; R117-P119 VanDerWaalsContact O-CD 3.3Å; R117-P119 WeakPolarHBondContact O-CD 3.37Å; P119-K184 PolarHBondContact O-N 2.83Å
120Y96.9Very high94.8Very high46 Ų4630 Ų3018%0.1813%0.13CC..EExtended strand (participates in β ladder)trans-125.3133-165.4-54.3-56.8000113.4T77 I78 V79 M113 K184 L243 K244 P247T77-Y120 WeakPolarHBondContact O-CD2 3.36Å; I78-Y120 WeakPolarHBondContact CA-O 3.3Å; V79-Y120 PolarHBondContact N-O 2.78Å; M113-Y120 VanDerWaalsContact CE-O 3.27Å; M113-Y120 WeakPolarHBondContact CE-O 3.31Å; Y120-K184 HydrophobicContact CD1-CB 4.1Å; Y120-K184 HydrophobicContact CE1-CB 4.44Å; Y120-K184 HydrophobicContact CE1-CG 4.47Å; Y120-L243 HydrophobicContact CD1-CD2 4.15Å; Y120-L243 HydrophobicContact CD1-CG 3.92Å; Y120-K244 HydrophobicContact CD2-CD 4.44Å; Y120-K244 HydrophobicContact CD2-CG 3.74Å; Y120-K244 HydrophobicContact CE2-CG 3.74Å; Y120-K244 HydrophobicContact CG-CG 4.24Å; Y120-P247 HydrophobicContact CE1-CB 4.06Å
121L98Very high94.5Very high0 Ų030.1 Ų30.10%013%0.131CC..EExtended strand (participates in β ladder)trans-127.7129.3173.717763.2000110.4V79 H81 V110 M113 L169 V183 K184 V185 I186V79-L121 HydrophobicContact CB-CD1 4.01Å; V79-L121 HydrophobicContact CG1-CD1 3.91Å; V79-L121 CarbonylContact O-C 3.55Å; V79-L121 WeakPolarHBondContact O-CA 3.18Å; H81-L121 HydrophobicContact CB-CD1 3.74Å; V110-L121 HydrophobicContact CG2-CD2 3.95Å; M113-L121 HydrophobicContact CE-CB 3.9Å; M113-L121 HydrophobicContact CE-CD1 4.49Å; M113-L121 HydrophobicContact SD-CB 4.3Å; M113-L121 HydrophobicContact SD-CD1 4.09Å; L121-L169 HydrophobicContact CD2-CD1 4.21Å; L121-L169 HydrophobicContact CD2-CD2 3.78Å; L121-V183 HydrophobicContact CB-CG1 3.59Å; L121-K184 PolarHBondContact N-O 2.91Å; L121-V185 HydrophobicContact CB-CG1 4.32Å; L121-V185 HydrophobicContact CB-CG2 4.15Å; L121-V185 HydrophobicContact CD2-CG1 4.11Å; L121-V185 HydrophobicContact CD2-CG2 4.15Å; L121-V185 HydrophobicContact CG-CG1 4.18Å; L121-V185 VanDerWaalsContact O-CA 3.29Å; L121-V185 WeakPolarHBondContact O-CA 3.32Å; L121-I186 PolarHBondContact O-N 2.73Å
122I98.5Very high94.3Very high0 Ų026.7 Ų26.70%012%0.118CC..EExtended strand (participates in β ladder)trans-105.3117162.8-53.7-57.4000108.2I78 V79 F80 H81 I186 I188 H236 A239 A240 L243I78-I122 HydrophobicContact CD1-CG1 4.27Å; V79-I122 PolarHBondContact O-N 3.38Å; F80-I122 HydrophobicContact CD1-CB 3.65Å; F80-I122 HydrophobicContact CD1-CG1 3.97Å; F80-I122 HydrophobicContact CD1-CG2 4.09Å; F80-I122 HydrophobicContact CE1-CB 3.97Å; F80-I122 HydrophobicContact CE1-CG1 3.77Å; F80-I122 HydrophobicContact CE1-CG2 4.37Å; F80-I122 HydrophobicContact CG-CB 4.49Å; H81-I122 PolarHBondContact N-O 2.6Å; I122-I186 WeakPolarHBondContact CA-O 3.34Å; I122-I186 HydrophobicContact CD1-CB 4.07Å; I122-I188 HydrophobicContact CG2-CD1 3.84Å; I122-I188 HydrophobicContact CG2-CG1 4.48Å; I122-H236 HydrophobicContact CG2-CB 4.22Å; I122-H236 VanDerWaalsContact CG2-CD2 3.46Å; I122-H236 WeakPolarHBondContact CG2-CD2 3.38Å; I122-A239 HydrophobicContact CD1-CB 3.98Å; I122-A239 HydrophobicContact CG2-CB 4.42Å; I122-A240 HydrophobicContact CD1-CB 4.26Å; I122-A240 HydrophobicContact CG1-CB 3.96Å; I122-L243 HydrophobicContact CD1-CB 4.47Å; I122-L243 HydrophobicContact CD1-CD2 3.77Å
123Y98.4Very high94Very high2 Ų230.6 Ų30.61%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-99.7128.7-177.1178.5-108.3000111H81 T106 G125 S165 E166 L169 I186 A187 I188H81-Y123 HydrophobicContact CB-CD2 4.35Å; H81-Y123 AromaticContact CD2-CD2 3.56Å; H81-Y123 AromaticContact CD2-CE2 3.6Å; T106-Y123 HydrophobicContact CG2-CE2 4.28Å; Y123-G125 PolarHBondContact O-N 3.04Å; Y123-S165 WeakPolarHBondContact OH-CB 3.46Å; Y123-E166 HydrophobicContact CD1-CB 4.45Å; Y123-E166 HydrophobicContact CE1-CB 4.02Å; Y123-L169 HydrophobicContact CD1-CD1 3.94Å; Y123-L169 HydrophobicContact CD2-CD1 3.51Å; Y123-L169 HydrophobicContact CE1-CD1 4.42Å; Y123-L169 HydrophobicContact CE2-CD1 4.03Å; Y123-L169 HydrophobicContact CG-CD1 3.46Å; Y123-L169 VanDerWaalsContact CG-CD1 3.46Å; Y123-I186 PolarHBondContact N-O 3.2Å; Y123-A187 HydrophobicContact CD1-CB 3.92Å; Y123-A187 CarbonylContact O-C 3.59Å; Y123-A187 VanDerWaalsContact O-CA 3.31Å; Y123-A187 WeakPolarHBondContact O-CA 3.31Å; Y123-I188 PolarHBondContact O-N 2.97Å
124T98.4Very high93.6Very high7 Ų735.7 Ų35.74%0.04316%0.157CC..EExtended strand (participates in β ladder)trans-84.8110.6168.4-47.50000109.3L17 H81 K162 I188 P190 H236L17-T124 HydrophobicContact CD2-CG2 3.62Å; H81-T124 PolarHBondContact O-N 3.44Å; H81-T124 VanDerWaalsContact O-N 3.11Å; H81-T124 PolarHBondContact O-OG1 2.84Å; T124-K162 WeakPolarHBondContact O-CE 3.42Å; T124-K162 PolarHBondContact O-NZ 2.91Å; T124-I188 CarbonylContact C-O 3.43Å; T124-P190 HydrophobicContact CG2-CG 4.08Å; T124-H236 PolarHBondContact OG1-NE2 3.38Å
125G96.7Very high93.3Very high3 Ų337.9 Ų37.93%0.03117%0.169CC..  trans-88.5-149.1168.300000112.3Y123 I188Y123-G125 PolarHBondContact O-N 3.04Å; G125-I188 WeakPolarHBondContact CA-O 3.33Å; G125-I188 PolarHBondContact N-O 3.42Å
126D95.1Very high93.1Very high19 Ų1931.8 Ų31.810%0.10215%0.146CC..  trans-153.6134.5174.4178.8-65.2000108.5F128 A129 L155 Y158D126-F128 PolarHBondContact O-N 2.72Å; D126-F128 WeakPolarHBondContact OD1-CA 3.5Å; D126-F128 PolarHBondContact OD1-N 2.82Å; D126-A129 HydrophobicContact CB-CB 3.88Å; D126-A129 PolarHBondContact O-N 3.44Å; D126-A129 PolarHBondContact OD1-N 2.86Å; D126-L155 WeakPolarHBondContact OD1-CD1 3.43Å; D126-Y158 HydrophobicContact CB-CE1 4.29Å
127A94.2Very high92.7Very high0 Ų032.4 Ų32.40%016%0.158CC..THydrogen-bonded Turntrans-60.8-26.3-17600000113.6R189 P190 T191 V333A127-R189 HydrophobicContact CB-CB 4.38Å; A127-P190 WeakPolarHBondContact CB-O 3.41Å; A127-P190 PolarHBondContact N-O 2.8Å; A127-T191 HydrophobicContact CB-CG2 4.07Å; A127-V333 HydrophobicContact CB-CG1 4.03Å; A127-V333 HydrophobicContact CB-CG2 4.34Å
128F92.5Very high92.3Very high0 Ų023.1 Ų23.10%013%0.132CC..THydrogen-bonded Turntrans-112.6-3.3-172.4-48.6-48.7000113.1D126 S130 L131 L155 T191 Y325 L331 V333D126-F128 PolarHBondContact O-N 2.72Å; D126-F128 WeakPolarHBondContact OD1-CA 3.5Å; D126-F128 PolarHBondContact OD1-N 2.82Å; F128-S130 PolarHBondContact O-N 3.1Å; F128-S130 VanDerWaalsContact O-N 3.13Å; F128-L131 HydrophobicContact CB-CD1 3.94Å; F128-L131 HydrophobicContact CD1-CD1 3.64Å; F128-L131 HydrophobicContact CG-CD1 4.22Å; F128-L131 WeakPolarHBondContact O-CB 3.33Å; F128-L131 PolarHBondContact O-N 3.43Å; F128-L155 HydrophobicContact CB-CD1 4.1Å; F128-L155 HydrophobicContact CB-CG 4.48Å; F128-T191 HydrophobicContact CE2-CG2 4.45Å; F128-T191 HydrophobicContact CZ-CG2 3.97Å; F128-Y325 AromaticContact CD2-CE2 3.57Å; F128-Y325 HydrophobicContact CD2-CE2 3.57Å; F128-Y325 HydrophobicContact CE2-CE2 4.07Å; F128-Y325 HydrophobicContact CG-CE2 4.28Å; F128-L331 HydrophobicContact CD1-CB 4.39Å; F128-L331 HydrophobicContact CD1-CD2 4.3Å; F128-L331 HydrophobicContact CE1-CB 3.78Å; F128-L331 HydrophobicContact CE1-CD2 4.45Å; F128-L331 HydrophobicContact CE2-CB 4.32Å; F128-L331 HydrophobicContact CZ-CB 3.74Å; F128-V333 HydrophobicContact CE1-CG1 4.02Å
129A92Very high91.9Very high4 Ų425.7 Ų25.73%0.03315%0.145CC..THydrogen-bonded Turntrans-57.2-29.1177.700000113.9D126 W153 G159 K162D126-A129 HydrophobicContact CB-CB 3.88Å; D126-A129 PolarHBondContact O-N 3.44Å; D126-A129 PolarHBondContact OD1-N 2.86Å; A129-W153 VanDerWaalsContact O-CE3 3.25Å; A129-W153 WeakPolarHBondContact O-CZ3 3.43Å; A129-G159 CarbonylContact O-C 3.58Å; A129-K162 HydrophobicContact CB-CB 3.75Å
130S88.9Confident91.8Very high2 Ų225.1 Ų25.11%0.01414%0.142CC..THydrogen-bonded Turntrans-929.7178.961.80000114.4F128 T144 I148F128-S130 PolarHBondContact O-N 3.1Å; F128-S130 VanDerWaalsContact O-N 3.13Å; S130-T144 VanDerWaalsContact CB-O 3.3Å; S130-T144 WeakPolarHBondContact CB-O 3.24Å; S130-T144 WeakPolarHBondContact OG-CB 3.41Å; S130-T144 PolarHBondContact OG-O 3.35Å; S130-T144 PolarHBondContact OG-OG1 2.95Å; S130-I148 WeakPolarHBondContact O-CD1 3.27Å; S130-I148 WeakPolarHBondContact O-CG1 3.46Å
131L89.3Confident91.4Very high2 Ų223.6 Ų23.61%0.0114%0.137CC..  trans-96.5143.6-177.9-60.4179.9000112.1F128 C136 T144 L154 L331F128-L131 HydrophobicContact CB-CD1 3.94Å; F128-L131 HydrophobicContact CD1-CD1 3.64Å; F128-L131 HydrophobicContact CG-CD1 4.22Å; F128-L131 WeakPolarHBondContact O-CB 3.33Å; F128-L131 PolarHBondContact O-N 3.43Å; L131-C136 HydrophobicContact CD1-CB 3.46Å; L131-C136 VanDerWaalsContact CD1-CB 3.46Å; L131-C136 HydrophobicContact CD2-CB 4.14Å; L131-C136 HydrophobicContact CG-CB 4.46Å; L131-T144 HydrophobicContact CD2-CG2 4.09Å; L131-L154 HydrophobicContact CB-CB 4.24Å; L131-L154 HydrophobicContact CB-CD2 4.31Å; L131-L154 HydrophobicContact CD1-CD2 4.43Å; L131-L154 WeakPolarHBondContact O-CB 3.42Å; L131-L154 PolarHBondContact O-N 3.17Å; L131-L331 HydrophobicContact CD1-CD2 3.91Å
132G87.7Confident90.7Very high7 Ų731.6 Ų31.67%0.07217%0.172CC..  trans-85.3-159.1158.700000111.5E134 L154G132-E134 PolarHBondContact O-N 3.34Å; G132-L154 WeakPolarHBondContact O-CB 3.41Å
133Y87.4Confident89.6Confident81 Ų8134 Ų3432%0.31819%0.188SC..SBendtrans-82.149.5176.5-70-91.8000111.9L154 I320 S321 D324 R329Y133-L154 HydrophobicContact CD1-CD1 4.26Å; Y133-L154 HydrophobicContact CE1-CD1 4.41Å; Y133-I320 HydrophobicContact CE1-CG2 4.13Å; Y133-S321 PolarHBondContact OH-OG 2.76Å; Y133-D324 HydrophobicContact CD1-CB 3.99Å; Y133-D324 WeakPolarHBondContact CD1-OD2 3.46Å; Y133-D324 HydrophobicContact CE1-CB 4.07Å; Y133-D324 WeakPolarHBondContact CE1-OD2 3.42Å; Y133-R329 VanDerWaalsContact C-CZ 3.41Å; Y133-R329 VanDerWaalsContact C-NH1 3.29Å; Y133-R329 PolarHBondContact O-NH1 3.32Å; Y133-R329 PolarHBondContact O-NH2 3.27Å
134E86.3Confident88.3Confident108 Ų10834.1 Ų34.151%0.50519%0.189SC..SBendtrans-122.5161.4177.465.6-162.1152.500110.3G132G132-E134 PolarHBondContact O-N 3.34Å
135D89.1Confident86.9Confident71 Ų7136.7 Ų36.738%0.3821%0.205SC..  trans-76.9141.5176.8-68.9-32000110.6R329 Y330D135-R329 WeakPolarHBondContact OD1-CA 3.37Å; D135-R329 WeakPolarHBondContact OD1-CD 3.24Å; D135-Y330 PolarHBondContact OD1-N 3.46Å
136C87Confident85.3Confident0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-109.391.3170.9-176.20000108.2L131 L139 Y330 L331 Y332L131-C136 HydrophobicContact CD1-CB 3.46Å; L131-C136 VanDerWaalsContact CD1-CB 3.46Å; L131-C136 HydrophobicContact CD2-CB 4.14Å; L131-C136 HydrophobicContact CG-CB 4.46Å; C136-L139 HydrophobicContact CB-CD1 4.39Å; C136-Y330 CarbonylContact C-O 3.49Å; C136-Y330 VanDerWaalsContact C-O 3.3Å; C136-Y330 PolarHBondContact N-O 2.8Å; C136-Y330 CarbonylContact O-C 3.59Å; C136-L331 HydrophobicContact CB-CD2 4.11Å; C136-Y332 CarbonylContact C-O 3.52Å; C136-Y332 PolarHBondContact O-N 2.83Å
137A86.8Confident83.3Confident54 Ų5449.1 Ų49.145%0.44627%0.272SS..EExtended strand (participates in β ladder)trans-103.177.4-177.300000110.7Y332A137-Y332 VanDerWaalsContact C-CE2 3.44Å; A137-Y332 VanDerWaalsContact CA-CZ 3.4Å; A137-Y332 HydrophobicContact CB-CE1 4.02Å; A137-Y332 HydrophobicContact CB-CE2 4.4Å; A137-Y332 WeakPolarHBondContact CB-OH 3.35Å
138G85.5Confident81.7Confident28 Ų2850.1 Ų50.129%0.28928%0.277SS..EExtended strand (participates in β ladder)trans74.828.6177.400000113.6Y332 N334G138-Y332 WeakPolarHBondContact CA-O 3.46Å; G138-Y332 VanDerWaalsContact N-CD2 3.3Å; G138-Y332 PolarHBondContact N-O 3.47Å; G138-N334 WeakPolarHBondContact O-CB 3.33Å
139L88.1Confident80.3Confident56 Ų5653.6 Ų53.629%0.29330%0.296SS..EExtended strand (participates in β ladder)trans-69.4144.3178.3-60.2-177.9000111.2C136 T144 N334C136-L139 HydrophobicContact CB-CD1 4.39Å; L139-T144 HydrophobicContact CB-CG2 3.86Å; L139-T144 HydrophobicContact CD1-CG2 4.32Å; L139-N334 PolarHBondContact O-N 2.79Å
140S90.8Very high79Confident38 Ų3861 Ų6127%0.26632%0.323SS..  trans-85.6166.3172.363.30000111.9K142 S143 T144S140-K142 PolarHBondContact O-N 3.44Å; S140-K142 VanDerWaalsContact O-N 3.15Å; S140-S143 WeakPolarHBondContact O-CB 3.11Å; S140-S143 PolarHBondContact O-N 3.21Å; S140-S143 PolarHBondContact OG-OG 2.83Å; S140-T144 PolarHBondContact O-N 2.87Å
141E89.3Confident78.2Confident14 Ų1469.3 Ų69.37%0.06535%0.354CS..THydrogen-bonded Turntrans-57.4-33-179.6-55.385.3169.700112.6S143 T144 T145 V254 V255 N256E141-S143 VanDerWaalsContact C-N 3.33Å; E141-T144 PolarHBondContact O-OG1 3.34Å; E141-T145 WeakPolarHBondContact O-CG2 3.49Å; E141-V254 HydrophobicContact CG-CG1 4.42Å; E141-V254 WeakPolarHBondContact CG-O 3.46Å; E141-V255 WeakPolarHBondContact OE1-CA 3.38Å; E141-N256 HydrophobicContact CG-CB 4.46Å; E141-N256 PolarHBondContact OE1-N 3.11Å
142K81.9Confident77.8Confident168 Ų16875.6 Ų75.673%0.7338%0.378SS*.THydrogen-bonded Turntrans-72.6-26.2175.6-70.4-174.3179.6177.80113.3S140 T145S140-K142 PolarHBondContact O-N 3.44Å; S140-K142 VanDerWaalsContact O-N 3.15Å; K142-T145 PolarHBondContact O-OG1 2.86Å
143S76.6Confident77.8Confident49 Ų4975.9 Ų75.934%0.34338%0.378SS..THydrogen-bonded Turntrans-81.5-36.6-176-55.50000110.8S140 E141 T145 K146S140-S143 WeakPolarHBondContact O-CB 3.11Å; S140-S143 PolarHBondContact O-N 3.21Å; S140-S143 PolarHBondContact OG-OG 2.83Å; E141-S143 VanDerWaalsContact C-N 3.33Å; S143-T145 VanDerWaalsContact C-N 3.27Å; S143-T145 PolarHBondContact O-N 3.28Å; S143-K146 PolarHBondContact O-N 3.14Å
144T71Confident78Confident6 Ų672 Ų724%0.03736%0.362CS..THydrogen-bonded Turntrans-76.6-10.4-178.874.30000113.7S130 L131 L139 S140 E141 R189S130-T144 VanDerWaalsContact CB-O 3.3Å; S130-T144 WeakPolarHBondContact CB-O 3.24Å; S130-T144 WeakPolarHBondContact OG-CB 3.41Å; S130-T144 PolarHBondContact OG-O 3.35Å; S130-T144 PolarHBondContact OG-OG1 2.95Å; L131-T144 HydrophobicContact CD2-CG2 4.09Å; L139-T144 HydrophobicContact CB-CG2 3.86Å; L139-T144 HydrophobicContact CD1-CG2 4.32Å; S140-T144 PolarHBondContact O-N 2.87Å; E141-T144 PolarHBondContact O-OG1 3.34Å; T144-R189 PolarHBondContact OG1-NH1 3.14Å
145T69.1Low78.2Confident61 Ų6167 Ų6737%0.37434%0.339SS..THydrogen-bonded Turntrans-90.6-5.1176.354.70000114.2E141 K142 S143E141-T145 WeakPolarHBondContact O-CG2 3.49Å; K142-T145 PolarHBondContact O-OG1 2.86Å; S143-T145 VanDerWaalsContact C-N 3.27Å; S143-T145 PolarHBondContact O-N 3.28Å
146K63.5Low78.3Confident165 Ų16564.9 Ų64.972%0.71733%0.326SS*.SBendtrans-68.1143.3175.3-71.1-173.9179.7178.70109.8S143 I148S143-K146 PolarHBondContact O-N 3.14Å; K146-I148 PolarHBondContact O-N 2.97Å
147S52.4Low78.6Confident118 Ų11866.8 Ų66.883%0.82534%0.335SS*.  trans-46.493.7-161.660.60000114.4D149S147-D149 PolarHBondContact O-N 3.15Å
148I59.7Low79Confident20 Ų2065 Ų6510%0.10332%0.316CS..  trans-51.8134.1152.7-45.3168.2000105.6S130 K146 R150 Y152 W153S130-I148 WeakPolarHBondContact O-CD1 3.27Å; S130-I148 WeakPolarHBondContact O-CG1 3.46Å; K146-I148 PolarHBondContact O-N 2.97Å; I148-R150 PolarHBondContact O-N 3.47Å; I148-Y152 VanDerWaalsContact CG2-O 3.27Å; I148-Y152 WeakPolarHBondContact CG2-O 3.46Å; I148-W153 HydrophobicContact CD1-CE3 3.84Å; I148-W153 HydrophobicContact CD1-CH2 3.95Å; I148-W153 HydrophobicContact CD1-CZ3 3.42Å; I148-W153 VanDerWaalsContact CD1-CZ3 3.42Å
149D63.3Low79.4Confident74 Ų7463.6 Ų63.640%0.39630%0.302SS..  trans-57100.2154-177.2-8.6000106.5S147 R151 Y152S147-D149 PolarHBondContact O-N 3.15Å; D149-R151 VanDerWaalsContact CG-NE 3.33Å; D149-R151 PolarHBondContact O-N 2.97Å; D149-R151 WeakPolarHBondContact OD1-CB 3.46Å; D149-R151 VanDerWaalsContact OD1-CG 3.31Å; D149-R151 WeakPolarHBondContact OD1-CG 3.12Å; D149-R151 IonicContact OD1-CZ 3.11Å; D149-R151 PolarHBondContact OD1-N 2.83Å; D149-R151 IonicContact OD1-NE 2.76Å; D149-R151 PolarHBondContact OD1-NE 3.41Å; D149-R151 IonicContact OD1-NH2 3.75Å; D149-R151 IonicContact OD2-CZ 2.95Å; D149-R151 VanDerWaalsContact OD2-CZ 3.25Å; D149-R151 IonicContact OD2-NE 3.88Å; D149-R151 PolarHBondContact OD2-NE 3.46Å; D149-R151 IonicContact OD2-NH2 3.33Å; D149-R151 PolarHBondContact OD2-NH2 3.08Å; D149-Y152 PolarHBondContact O-N 2.7Å
150R66.1Low79.6Confident158 Ų15861.5 Ų61.560%0.59629%0.291SS*.THydrogen-bonded Turntrans-58.83.2-169.8-64.8-178.3175.8176.3-2114I148 W153I148-R150 PolarHBondContact O-N 3.47Å; R150-W153 HydrophobicContact CB-CZ2 4.42Å; R150-W153 PolarHBondContact O-NE1 3.15Å; R150-W153 VanDerWaalsContact O-NE1 3.09Å
151R70.3Confident79.9Confident178 Ų17859.7 Ų59.767%0.67228%0.279SS*.THydrogen-bonded Turntrans-81.3-23.8171.3-63-176.5-71.6179.81113.7D149D149-R151 VanDerWaalsContact CG-NE 3.33Å; D149-R151 PolarHBondContact O-N 2.97Å; D149-R151 WeakPolarHBondContact OD1-CB 3.46Å; D149-R151 VanDerWaalsContact OD1-CG 3.31Å; D149-R151 WeakPolarHBondContact OD1-CG 3.12Å; D149-R151 IonicContact OD1-CZ 3.11Å; D149-R151 PolarHBondContact OD1-N 2.83Å; D149-R151 IonicContact OD1-NE 2.76Å; D149-R151 PolarHBondContact OD1-NE 3.41Å; D149-R151 IonicContact OD1-NH2 3.75Å; D149-R151 IonicContact OD2-CZ 2.95Å; D149-R151 VanDerWaalsContact OD2-CZ 3.25Å; D149-R151 IonicContact OD2-NE 3.88Å; D149-R151 PolarHBondContact OD2-NE 3.46Å; D149-R151 IonicContact OD2-NH2 3.33Å; D149-R151 PolarHBondContact OD2-NH2 3.08Å
152Y81.2Confident80.2Confident133 Ų13359.5 Ų59.552%0.52228%0.277SS..  trans-132.2115.4-173.6-53.9-74.4000112.8I148 D149I148-Y152 VanDerWaalsContact CG2-O 3.27Å; I148-Y152 WeakPolarHBondContact CG2-O 3.46Å; D149-Y152 PolarHBondContact O-N 2.7Å
153W88.7Confident80.7Confident14 Ų1452.7 Ų52.75%0.05325%0.247CC..  trans-114.3133179.7-55.285.2000109.3A129 I148 R150 L155 R156 E160 Y163A129-W153 VanDerWaalsContact O-CE3 3.25Å; A129-W153 WeakPolarHBondContact O-CZ3 3.43Å; I148-W153 HydrophobicContact CD1-CE3 3.84Å; I148-W153 HydrophobicContact CD1-CH2 3.95Å; I148-W153 HydrophobicContact CD1-CZ3 3.42Å; I148-W153 VanDerWaalsContact CD1-CZ3 3.42Å; R150-W153 HydrophobicContact CB-CZ2 4.42Å; R150-W153 PolarHBondContact O-NE1 3.15Å; R150-W153 VanDerWaalsContact O-NE1 3.09Å; W153-L155 VanDerWaalsContact C-N 3.28Å; W153-L155 PolarHBondContact O-N 2.96Å; W153-R156 VanDerWaalsContact CB-O 3.24Å; W153-R156 WeakPolarHBondContact CB-O 3.31Å; W153-R156 PolarHBondContact O-N 3.37Å; W153-E160 HydrophobicContact CD2-CB 3.75Å; W153-E160 HydrophobicContact CD2-CG 4.36Å; W153-E160 HydrophobicContact CE3-CB 4.33Å; W153-E160 HydrophobicContact CG-CB 4.02Å; W153-E160 HydrophobicContact CH2-CG 4.43Å; W153-E160 HydrophobicContact CZ2-CB 4.02Å; W153-E160 HydrophobicContact CZ2-CG 3.71Å; W153-Y163 AromaticContact CH2-CD1 3.36Å; W153-Y163 HydrophobicContact CH2-CD1 3.36Å; W153-Y163 AromaticContact CH2-CE1 3.99Å; W153-Y163 HydrophobicContact CH2-CE1 3.99Å; W153-Y163 AromaticContact CH2-CG 3.74Å; W153-Y163 HydrophobicContact CH2-CG 3.74Å; W153-Y163 AromaticContact CZ3-CD1 3.78Å; W153-Y163 HydrophobicContact CZ3-CD1 3.78Å; W153-Y163 HydrophobicContact CZ3-CD2 4.34Å; W153-Y163 AromaticContact CZ3-CG 3.61Å; W153-Y163 HydrophobicContact CZ3-CG 3.61Å
154L90.8Very high81.5Confident0 Ų054.3 Ų54.30%025%0.246CC..THydrogen-bonded Turntrans-58.2-44.5175-17959.2000110.6L131 G132 Y133 R156 S321 D324 Y325 R329 L331L131-L154 HydrophobicContact CB-CB 4.24Å; L131-L154 HydrophobicContact CB-CD2 4.31Å; L131-L154 HydrophobicContact CD1-CD2 4.43Å; L131-L154 WeakPolarHBondContact O-CB 3.42Å; L131-L154 PolarHBondContact O-N 3.17Å; G132-L154 WeakPolarHBondContact O-CB 3.41Å; Y133-L154 HydrophobicContact CD1-CD1 4.26Å; Y133-L154 HydrophobicContact CE1-CD1 4.41Å; L154-R156 VanDerWaalsContact C-N 3.26Å; L154-R156 PolarHBondContact O-N 3.35Å; L154-S321 WeakPolarHBondContact O-CB 3.45Å; L154-D324 HydrophobicContact CD1-CB 3.93Å; L154-Y325 HydrophobicContact CD2-CD2 4.15Å; L154-R329 HydrophobicContact CD1-CG 4.43Å; L154-L331 HydrophobicContact CD2-CD1 4.2Å; L154-L331 HydrophobicContact CD2-CD2 3.98Å
155L91.9Very high82.7Confident3 Ų354 Ų542%0.01624%0.244CC..THydrogen-bonded Turntrans-94.122.2176.2-54-177.3000112.5F87 D126 F128 W153 Y158 G159 Y325F87-L155 HydrophobicContact CD2-CB 4.32Å; D126-L155 WeakPolarHBondContact OD1-CD1 3.43Å; F128-L155 HydrophobicContact CB-CD1 4.1Å; F128-L155 HydrophobicContact CB-CG 4.48Å; W153-L155 VanDerWaalsContact C-N 3.28Å; W153-L155 PolarHBondContact O-N 2.96Å; L155-Y158 HydrophobicContact CB-CD1 3.85Å; L155-Y158 HydrophobicContact CD1-CD1 3.82Å; L155-Y158 HydrophobicContact CD1-CE1 3.8Å; L155-Y158 HydrophobicContact CG-CD1 4.49Å; L155-Y158 WeakPolarHBondContact O-CB 3.19Å; L155-Y158 PolarHBondContact O-N 3.24Å; L155-G159 PolarHBondContact O-N 3.48Å; L155-Y325 HydrophobicContact CD2-CD1 4.27Å; L155-Y325 HydrophobicContact CD2-CD2 3.82Å; L155-Y325 HydrophobicContact CD2-CE1 4.42Å; L155-Y325 HydrophobicContact CD2-CE2 4.02Å; L155-Y325 HydrophobicContact CD2-CG 3.99Å
156R91.2Very high83.9Confident26 Ų2651.6 Ų51.610%0.09823%0.229CC..Hα-helixtrans49.4-138.1177.8-48.1173.247.3177.73.6113.6F87 G90 M91 A93 W153 L154 Y158 G159 E160 N319 S321F87-R156 HydrophobicContact CE2-CG 4.27Å; G90-R156 PolarHBondContact O-NH1 3.32Å; M91-R156 PolarHBondContact O-NH1 2.85Å; A93-R156 VanDerWaalsContact CB-NH2 3.33Å; W153-R156 VanDerWaalsContact CB-O 3.24Å; W153-R156 WeakPolarHBondContact CB-O 3.31Å; W153-R156 PolarHBondContact O-N 3.37Å; L154-R156 VanDerWaalsContact C-N 3.26Å; L154-R156 PolarHBondContact O-N 3.35Å; R156-Y158 PolarHBondContact O-N 3.36Å; R156-G159 PolarHBondContact O-N 3.07Å; R156-G159 VanDerWaalsContact O-N 3.14Å; R156-E160 PolarHBondContact O-N 3.41Å; R156-N319 PolarHBondContact NH1-ND2 2.78Å; R156-N319 VanDerWaalsContact NH1-ND2 3.11Å; R156-S321 WeakPolarHBondContact CD-OG 3.34Å; R156-S321 WeakPolarHBondContact CG-OG 3.42Å
157E92.6Very high85.3Confident40 Ų4047.8 Ų47.819%0.18722%0.216CC..Hα-helixtrans-59.7-31.8-178.4-60.880-177.600112.7A93 R95 Y98 S161A93-E157 HydrophobicContact CB-CG 4.48Å; A93-E157 VanDerWaalsContact CB-OE2 3.24Å; A93-E157 WeakPolarHBondContact CB-OE2 3.41Å; R95-E157 HydrophobicContact CB-CB 4.33Å; R95-E157 HydrophobicContact CB-CG 3.54Å; R95-E157 HydrophobicContact CG-CB 4.31Å; R95-E157 HydrophobicContact CG-CG 3.75Å; Y98-E157 HydrophobicContact CD2-CB 3.57Å; Y98-E157 HydrophobicContact CE2-CB 4.24Å; Y98-E157 HydrophobicContact CG-CB 4Å; E157-S161 WeakPolarHBondContact O-CB 3.42Å; E157-S161 PolarHBondContact O-N 3.22Å; E157-S161 PolarHBondContact O-OG 2.83Å
158Y94.6Very high87.3Confident15 Ų1545 Ų456%0.05919%0.187CC..Hα-helixtrans-62.3-53.7172.1170.6-95.4000110.8R85 F87 Y98 D126 L155 R156 E160 S161 K162R85-Y158 WeakPolarHBondContact O-CD2 3.49Å; R85-Y158 WeakPolarHBondContact O-CE2 3.32Å; F87-Y158 HydrophobicContact CB-CD1 4Å; F87-Y158 HydrophobicContact CB-CD2 4.42Å; F87-Y158 HydrophobicContact CB-CG 3.93Å; Y98-Y158 HydrophobicContact CD1-CD2 4.42Å; Y98-Y158 AromaticContact CE1-CD2 3.96Å; Y98-Y158 HydrophobicContact CE1-CD2 3.96Å; Y98-Y158 HydrophobicContact CE1-CG 4.3Å; D126-Y158 HydrophobicContact CB-CE1 4.29Å; L155-Y158 HydrophobicContact CB-CD1 3.85Å; L155-Y158 HydrophobicContact CD1-CD1 3.82Å; L155-Y158 HydrophobicContact CD1-CE1 3.8Å; L155-Y158 HydrophobicContact CG-CD1 4.49Å; L155-Y158 WeakPolarHBondContact O-CB 3.19Å; L155-Y158 PolarHBondContact O-N 3.24Å; R156-Y158 PolarHBondContact O-N 3.36Å; Y158-E160 VanDerWaalsContact C-N 3.31Å; Y158-E160 PolarHBondContact O-N 2.94Å; Y158-S161 PolarHBondContact O-N 2.68Å; Y158-S161 PolarHBondContact O-OG 2.89Å; Y158-K162 HydrophobicContact CD1-CG 4.45Å; Y158-K162 HydrophobicContact CD2-CG 4.3Å; Y158-K162 HydrophobicContact CE1-CG 4.05Å; Y158-K162 HydrophobicContact CE2-CD 4.17Å; Y158-K162 HydrophobicContact CE2-CG 3.9Å; Y158-K162 WeakPolarHBondContact O-CG 3.1Å; Y158-K162 PolarHBondContact O-N 3.28Å
159G93.8Very high88.9Confident0 Ų044 Ų440%018%0.182CC..Hα-helixtrans-57-45.7178.400000111.9A129 L155 R156 S161 K162 Y163A129-G159 CarbonylContact O-C 3.58Å; L155-G159 PolarHBondContact O-N 3.48Å; R156-G159 PolarHBondContact O-N 3.07Å; R156-G159 VanDerWaalsContact O-N 3.14Å; G159-S161 VanDerWaalsContact C-N 3.32Å; G159-S161 PolarHBondContact O-N 3.35Å; G159-K162 PolarHBondContact O-N 3.26Å; G159-Y163 VanDerWaalsContact O-CB 3.31Å; G159-Y163 WeakPolarHBondContact O-CB 3.39Å; G159-Y163 PolarHBondContact O-N 2.93Å
160E93.7Very high90.3Very high12 Ų1241.5 Ų41.56%0.05617%0.17CC..Hα-helixtrans-55.4-47.1174.6-175179.1-17000111.7R95 M99 W153 R156 Y158 R164R95-E160 IonicContact CZ-OE1 3.7Å; R95-E160 IonicContact CZ-OE2 2.8Å; R95-E160 IonicContact NE-OE1 2.67Å; R95-E160 IonicContact NE-OE2 3.3Å; R95-E160 PolarHBondContact NE-OE2 3.46Å; R95-E160 IonicContact NH2-OE1 3.06Å; R95-E160 PolarHBondContact NH2-OE1 3.41Å; R95-E160 IonicContact NH2-OE2 3.67Å; R95-E160 PolarHBondContact NH2-OE2 2.95Å; M99-E160 HydrophobicContact CE-CB 3.97Å; M99-E160 HydrophobicContact CE-CG 3.74Å; W153-E160 HydrophobicContact CD2-CB 3.75Å; W153-E160 HydrophobicContact CD2-CG 4.36Å; W153-E160 HydrophobicContact CE3-CB 4.33Å; W153-E160 HydrophobicContact CG-CB 4.02Å; W153-E160 HydrophobicContact CH2-CG 4.43Å; W153-E160 HydrophobicContact CZ2-CB 4.02Å; W153-E160 HydrophobicContact CZ2-CG 3.71Å; R156-E160 PolarHBondContact O-N 3.41Å; Y158-E160 VanDerWaalsContact C-N 3.31Å; Y158-E160 PolarHBondContact O-N 2.94Å; E160-R164 HydrophobicContact CG-CG 4.39Å; E160-R164 WeakPolarHBondContact O-CB 3.35Å; E160-R164 VanDerWaalsContact O-CG 3.25Å; E160-R164 WeakPolarHBondContact O-CG 3.2Å; E160-R164 PolarHBondContact O-N 3.4Å; E160-R164 IonicContact OE1-CZ 2.81Å; E160-R164 VanDerWaalsContact OE1-CZ 3.22Å; E160-R164 IonicContact OE1-NE 2.78Å; E160-R164 PolarHBondContact OE1-NE 3.43Å; E160-R164 IonicContact OE1-NH2 2.61Å; E160-R164 PolarHBondContact OE1-NH2 3.49Å
161S95.5Very high91.3Very high0 Ų036.1 Ų36.10%016%0.157CC..Hα-helixtrans-65.5-43.8-176.173.70000112.5Y98 N102 E157 Y158 G159 R164 S165Y98-S161 WeakPolarHBondContact O-CB 3.43Å; N102-S161 WeakPolarHBondContact CB-OG 3.28Å; N102-S161 PolarHBondContact ND2-OG 2.82Å; E157-S161 WeakPolarHBondContact O-CB 3.42Å; E157-S161 PolarHBondContact O-N 3.22Å; E157-S161 PolarHBondContact O-OG 2.83Å; Y158-S161 PolarHBondContact O-N 2.68Å; Y158-S161 PolarHBondContact O-OG 2.89Å; G159-S161 VanDerWaalsContact C-N 3.32Å; G159-S161 PolarHBondContact O-N 3.35Å; S161-R164 PolarHBondContact O-N 3.04Å; S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.48Å; S161-S165 PolarHBondContact O-OG 2.92Å
162K95.7Very high91.4Very high9 Ų937.4 Ų37.44%0.03917%0.168CC..Hα-helixtrans-68.4-42.9178.9-63.4-71.1-86.4-1770110.9T124 A129 Y158 G159 R164 S165 E166T124-K162 WeakPolarHBondContact O-CE 3.42Å; T124-K162 PolarHBondContact O-NZ 2.91Å; A129-K162 HydrophobicContact CB-CB 3.75Å; Y158-K162 HydrophobicContact CD1-CG 4.45Å; Y158-K162 HydrophobicContact CD2-CG 4.3Å; Y158-K162 HydrophobicContact CE1-CG 4.05Å; Y158-K162 HydrophobicContact CE2-CD 4.17Å; Y158-K162 HydrophobicContact CE2-CG 3.9Å; Y158-K162 WeakPolarHBondContact O-CG 3.1Å; Y158-K162 PolarHBondContact O-N 3.28Å; G159-K162 PolarHBondContact O-N 3.26Å; K162-R164 PolarHBondContact O-N 3.41Å; K162-S165 PolarHBondContact O-N 2.82Å; K162-E166 WeakPolarHBondContact O-CB 3.12Å; K162-E166 PolarHBondContact O-N 2.8Å
163Y93.8Very high90.9Very high25 Ų2535.9 Ų35.910%0.09817%0.169CC..Hα-helixtrans-60.7-45.7175.3174.7-94.1000112.3W153 G159 S165 E166 N167W153-Y163 AromaticContact CH2-CD1 3.36Å; W153-Y163 HydrophobicContact CH2-CD1 3.36Å; W153-Y163 AromaticContact CH2-CE1 3.99Å; W153-Y163 HydrophobicContact CH2-CE1 3.99Å; W153-Y163 AromaticContact CH2-CG 3.74Å; W153-Y163 HydrophobicContact CH2-CG 3.74Å; W153-Y163 AromaticContact CZ3-CD1 3.78Å; W153-Y163 HydrophobicContact CZ3-CD1 3.78Å; W153-Y163 HydrophobicContact CZ3-CD2 4.34Å; W153-Y163 AromaticContact CZ3-CG 3.61Å; W153-Y163 HydrophobicContact CZ3-CG 3.61Å; G159-Y163 VanDerWaalsContact O-CB 3.31Å; G159-Y163 WeakPolarHBondContact O-CB 3.39Å; G159-Y163 PolarHBondContact O-N 2.93Å; Y163-S165 VanDerWaalsContact C-N 3.34Å; Y163-S165 PolarHBondContact O-N 3.49Å; Y163-E166 PolarHBondContact O-N 3.25Å; Y163-N167 HydrophobicContact CE1-CB 4.43Å; Y163-N167 VanDerWaalsContact O-CB 3.24Å; Y163-N167 WeakPolarHBondContact O-CB 3.41Å; Y163-N167 PolarHBondContact O-N 3.4Å
164R93.7Very high90.2Very high84 Ų8435.6 Ų35.632%0.31717%0.17SC..Hα-helixtrans-64.1-40.6179.1-75.1177.8-178.8-80.41.3112.1F103 E160 S161 K162 W168F103-R164 HydrophobicContact CD1-CB 4.39Å; F103-R164 HydrophobicContact CD2-CB 4.12Å; F103-R164 HydrophobicContact CE1-CB 4.41Å; F103-R164 HydrophobicContact CE2-CB 4.15Å; F103-R164 WeakPolarHBondContact CE2-O 3.34Å; F103-R164 HydrophobicContact CG-CB 4.22Å; F103-R164 HydrophobicContact CZ-CB 4.27Å; E160-R164 HydrophobicContact CG-CG 4.39Å; E160-R164 WeakPolarHBondContact O-CB 3.35Å; E160-R164 VanDerWaalsContact O-CG 3.25Å; E160-R164 WeakPolarHBondContact O-CG 3.2Å; E160-R164 PolarHBondContact O-N 3.4Å; E160-R164 IonicContact OE1-CZ 2.81Å; E160-R164 VanDerWaalsContact OE1-CZ 3.22Å; E160-R164 IonicContact OE1-NE 2.78Å; E160-R164 PolarHBondContact OE1-NE 3.43Å; E160-R164 IonicContact OE1-NH2 2.61Å; E160-R164 PolarHBondContact OE1-NH2 3.49Å; S161-R164 PolarHBondContact O-N 3.04Å; K162-R164 PolarHBondContact O-N 3.41Å; R164-W168 VanDerWaalsContact O-CB 3.32Å; R164-W168 WeakPolarHBondContact O-CB 3.37Å; R164-W168 PolarHBondContact O-N 3.44Å
165S95.5Very high89.4Confident0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-61.3-52.8176.4-54.50000111.2F103 Y123 S161 K162 Y163 N167 W168 L169F103-S165 VanDerWaalsContact CA-OG 3.3Å; F103-S165 WeakPolarHBondContact CA-OG 3.32Å; Y123-S165 WeakPolarHBondContact OH-CB 3.46Å; S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.48Å; S161-S165 PolarHBondContact O-OG 2.92Å; K162-S165 PolarHBondContact O-N 2.82Å; Y163-S165 VanDerWaalsContact C-N 3.34Å; Y163-S165 PolarHBondContact O-N 3.49Å; S165-N167 PolarHBondContact O-N 3.47Å; S165-W168 PolarHBondContact O-N 3.17Å; S165-L169 WeakPolarHBondContact O-CB 3.34Å; S165-L169 WeakPolarHBondContact O-CG 3.39Å; S165-L169 PolarHBondContact O-N 3.37Å
166E95.1Very high88.6Confident10 Ų1043 Ų435%0.04720%0.203CC..Hα-helixtrans-62.6-46.1179.2-168.6-166.481.300112Y123 K162 Y163 W168 L169 C170 A187 R189 V254Y123-E166 HydrophobicContact CD1-CB 4.45Å; Y123-E166 HydrophobicContact CE1-CB 4.02Å; K162-E166 WeakPolarHBondContact O-CB 3.12Å; K162-E166 PolarHBondContact O-N 2.8Å; Y163-E166 PolarHBondContact O-N 3.25Å; E166-W168 PolarHBondContact O-N 3.46Å; E166-L169 PolarHBondContact O-N 3.24Å; E166-C170 VanDerWaalsContact O-CB 3.24Å; E166-C170 WeakPolarHBondContact O-CB 3.13Å; E166-C170 PolarHBondContact O-N 2.89Å; E166-A187 HydrophobicContact CG-CB 3.83Å; E166-R189 VanDerWaalsContact CD-NE 3.33Å; E166-R189 IonicContact OE1-CZ 3.42Å; E166-R189 VanDerWaalsContact OE1-CZ 3.27Å; E166-R189 IonicContact OE1-NE 3.96Å; E166-R189 PolarHBondContact OE1-NE 3.45Å; E166-R189 IonicContact OE1-NH2 3.92Å; E166-R189 PolarHBondContact OE1-NH2 3.23Å; E166-R189 VanDerWaalsContact OE2-CG 3.29Å; E166-R189 WeakPolarHBondContact OE2-CG 3.35Å; E166-R189 IonicContact OE2-CZ 3.15Å; E166-R189 IonicContact OE2-NE 2.74Å; E166-R189 PolarHBondContact OE2-NE 3.03Å; E166-R189 IonicContact OE2-NH2 3.61Å; E166-V254 HydrophobicContact CG-CG2 4.14Å; E166-V254 WeakPolarHBondContact OE2-CG1 3.42Å
167N92.4Very high88.1Confident85 Ų8544.2 Ų44.246%0.45521%0.209SC..Hα-helixtrans-63.8-30.9178.8-178.676.5000112.5Y163 S165 S171Y163-N167 HydrophobicContact CE1-CB 4.43Å; Y163-N167 VanDerWaalsContact O-CB 3.24Å; Y163-N167 WeakPolarHBondContact O-CB 3.41Å; Y163-N167 PolarHBondContact O-N 3.4Å; S165-N167 PolarHBondContact O-N 3.47Å; N167-S171 WeakPolarHBondContact O-CB 3.3Å; N167-S171 PolarHBondContact O-N 2.95Å
168W93.3Very high87.3Confident58 Ų5850 Ų5022%0.2225%0.247CC..Hα-helixtrans-71.1-49.2173.8179.375000111.4F103 K107 V110 F111 R164 S165 E166 S171 P175F103-W168 HydrophobicContact CE2-CB 3.79Å; F103-W168 HydrophobicContact CE2-CG 4.16Å; F103-W168 HydrophobicContact CZ-CB 4.36Å; K107-W168 HydrophobicContact CB-CH2 4.08Å; K107-W168 HydrophobicContact CB-CZ2 4.45Å; K107-W168 HydrophobicContact CB-CZ3 4.27Å; K107-W168 HydrophobicContact CD-CZ2 4.49Å; K107-W168 HydrophobicContact CG-CD2 3.99Å; K107-W168 HydrophobicContact CG-CE3 3.88Å; K107-W168 HydrophobicContact CG-CH2 3.78Å; K107-W168 HydrophobicContact CG-CZ2 3.88Å; K107-W168 HydrophobicContact CG-CZ3 3.77Å; V110-W168 HydrophobicContact CB-CH2 3.83Å; V110-W168 HydrophobicContact CB-CZ3 3.98Å; V110-W168 HydrophobicContact CG1-CH2 3.83Å; V110-W168 HydrophobicContact CG1-CZ3 4.26Å; V110-W168 HydrophobicContact CG2-CH2 4.25Å; V110-W168 HydrophobicContact CG2-CZ3 3.89Å; F111-W168 HydrophobicContact CE1-CH2 4.31Å; F111-W168 HydrophobicContact CE1-CZ2 4.17Å; R164-W168 VanDerWaalsContact O-CB 3.32Å; R164-W168 WeakPolarHBondContact O-CB 3.37Å; R164-W168 PolarHBondContact O-N 3.44Å; S165-W168 PolarHBondContact O-N 3.17Å; E166-W168 PolarHBondContact O-N 3.46Å; W168-S171 PolarHBondContact O-OG 2.61Å; W168-S171 VanDerWaalsContact O-OG 3.12Å; W168-P175 HydrophobicContact CH2-CB 4.03Å; W168-P175 HydrophobicContact CH2-CG 3.99Å; W168-P175 HydrophobicContact CZ2-CB 3.64Å; W168-P175 HydrophobicContact CZ2-CG 4.12Å; W168-P175 HydrophobicContact CZ3-CG 4.28Å
169L94.5Very high86.7Confident0 Ų055.1 Ų55.10%028%0.275CS..Hα-helixtrans-62.2-45.6178.7-72.7174.4000113.1T106 V110 L121 Y123 S165 E166 G174 P175 V185T106-L169 HydrophobicContact CG2-CD1 3.65Å; T106-L169 HydrophobicContact CG2-CD2 3.99Å; T106-L169 HydrophobicContact CG2-CG 3.91Å; V110-L169 HydrophobicContact CG2-CD2 3.62Å; L121-L169 HydrophobicContact CD2-CD1 4.21Å; L121-L169 HydrophobicContact CD2-CD2 3.78Å; Y123-L169 HydrophobicContact CD1-CD1 3.94Å; Y123-L169 HydrophobicContact CD2-CD1 3.51Å; Y123-L169 HydrophobicContact CE1-CD1 4.42Å; Y123-L169 HydrophobicContact CE2-CD1 4.03Å; Y123-L169 HydrophobicContact CG-CD1 3.46Å; Y123-L169 VanDerWaalsContact CG-CD1 3.46Å; S165-L169 WeakPolarHBondContact O-CB 3.34Å; S165-L169 WeakPolarHBondContact O-CG 3.39Å; S165-L169 PolarHBondContact O-N 3.37Å; E166-L169 PolarHBondContact O-N 3.24Å; L169-G174 WeakPolarHBondContact O-CA 3.33Å; L169-P175 WeakPolarHBondContact O-CD 3.44Å; L169-V185 HydrophobicContact CB-CG1 4.32Å; L169-V185 HydrophobicContact CD1-CG1 4.46Å; L169-V185 HydrophobicContact CD2-CG2 4.4Å
170C92.4Very high86.1Confident21 Ų2157.9 Ų57.914%0.14230%0.304CS..THydrogen-bonded Turntrans-101.712.3-170.1-60.30000113.1E166 G252 V254E166-C170 VanDerWaalsContact O-CB 3.24Å; E166-C170 WeakPolarHBondContact O-CB 3.13Å; E166-C170 PolarHBondContact O-N 2.89Å; C170-G252 WeakPolarHBondContact CB-O 3.12Å; C170-V254 HydrophobicContact CB-CG2 3.81Å
171S86.5Confident85.7Confident46 Ų4658.8 Ų58.832%0.32231%0.312SS..SBendtrans-56155.1169.161.70000110.5N167 W168 N173 G174N167-S171 WeakPolarHBondContact O-CB 3.3Å; N167-S171 PolarHBondContact O-N 2.95Å; W168-S171 PolarHBondContact O-OG 2.61Å; W168-S171 VanDerWaalsContact O-OG 3.12Å; S171-N173 PolarHBondContact O-N 2.74Å; S171-G174 PolarHBondContact O-N 2.87Å
172K73.1Confident85.4Confident205 Ų20560.7 Ų60.789%0.89133%0.325SS*.THydrogen-bonded Turntrans-54.5110.1-175.9-73.4-172.6176-175.60111.1
173N70.4Confident85.3Confident101 Ų10160.3 Ų60.354%0.5432%0.324SS..THydrogen-bonded Turntrans84.75.9-173.7-49.8-65.8000117.9S171 K176 N251S171-N173 PolarHBondContact O-N 2.74Å; N173-K176 VanDerWaalsContact CB-CE 3.49Å; N173-N251 PolarHBondContact O-ND2 3.19Å
174G73.3Confident85.4Confident8 Ų861 Ų618%0.08233%0.327CS..  trans65.4-179.4-17600000113.6L169 S171 K176L169-G174 WeakPolarHBondContact O-CA 3.33Å; S171-G174 PolarHBondContact O-N 2.87Å; G174-K176 PolarHBondContact O-N 2.88Å
175P75.2Confident85.5Confident12 Ų1257 Ų578%0.07831%0.312CS..PPolyproline II helixtrans-65.2120.5173.427.4-32.7000109.7V110 W168 L169 F177V110-P175 HydrophobicContact CG1-CG 4.11Å; W168-P175 HydrophobicContact CH2-CB 4.03Å; W168-P175 HydrophobicContact CH2-CG 3.99Å; W168-P175 HydrophobicContact CZ2-CB 3.64Å; W168-P175 HydrophobicContact CZ2-CG 4.12Å; W168-P175 HydrophobicContact CZ3-CG 4.28Å; L169-P175 WeakPolarHBondContact O-CD 3.44Å; P175-F177 HydrophobicContact CB-CE2 3.88Å; P175-F177 HydrophobicContact CB-CZ 4.47Å; P175-F177 HydrophobicContact CG-CE2 4.28Å
176K75.2Confident85.6Confident147 Ų14757 Ų5764%0.63931%0.312SS*.PPolyproline II helixtrans-99.8135.9172.8-66.9-172.5179.3-175.60109.9N173 G174N173-K176 VanDerWaalsContact CB-CE 3.49Å; G174-K176 PolarHBondContact O-N 2.88Å
177F79.1Confident85.7Confident50 Ų5056.6 Ų56.622%0.21931%0.31CS..PPolyproline II helixtrans-100163.6-179.7-69.9-102.1000110.2V110 F111 I114 P175 D179 G180 S181V110-F177 HydrophobicContact CG1-CE2 4.12Å; V110-F177 HydrophobicContact CG1-CZ 3.98Å; F111-F177 HydrophobicContact CD1-CD1 4.5Å; F111-F177 AromaticContact CD1-CE1 3.19Å; F111-F177 HydrophobicContact CD1-CE1 3.19Å; F111-F177 AromaticContact CD1-CZ 3.36Å; F111-F177 HydrophobicContact CD1-CZ 3.36Å; F111-F177 AromaticContact CE1-CE1 3.31Å; F111-F177 HydrophobicContact CE1-CE1 3.31Å; F111-F177 AromaticContact CE1-CZ 3.43Å; F111-F177 HydrophobicContact CE1-CZ 3.43Å; F111-F177 VanDerWaalsContact CE1-CZ 3.43Å; F111-F177 HydrophobicContact CG-CE1 4.32Å; I114-F177 HydrophobicContact CD1-CB 4.48Å; I114-F177 HydrophobicContact CD1-CD1 3.86Å; I114-F177 HydrophobicContact CD1-CD2 2.97Å; I114-F177 HydrophobicContact CD1-CE1 3.78Å; I114-F177 HydrophobicContact CD1-CE2 2.91Å; I114-F177 HydrophobicContact CD1-CG 3.49Å; I114-F177 VanDerWaalsContact CD1-CG 3.49Å; I114-F177 HydrophobicContact CD1-CZ 3.33Å; I114-F177 HydrophobicContact CG1-CD2 4.43Å; I114-F177 HydrophobicContact CG1-CE2 4.38Å; P175-F177 HydrophobicContact CB-CE2 3.88Å; P175-F177 HydrophobicContact CB-CZ 4.47Å; P175-F177 HydrophobicContact CG-CE2 4.28Å; F177-D179 WeakPolarHBondContact CB-OD1 3.24Å; F177-D179 PolarHBondContact O-N 3.5Å; F177-G180 PolarHBondContact O-N 3.49Å; F177-S181 WeakPolarHBondContact CB-OG 3.43Å; F177-S181 PolarHBondContact N-O 3.28Å
178V75.9Confident86Confident162 Ų16252.5 Ų52.598%0.98229%0.288SS*.THydrogen-bonded Turntrans-59.2-32.2-173.2178.40000111.9G180V178-G180 VanDerWaalsContact C-N 3.28Å; V178-G180 PolarHBondContact O-N 2.95Å
179D82.6Confident86.2Confident122 Ų12249.9 Ų49.965%0.65228%0.278SS*.THydrogen-bonded Turntrans-82.80.8177.366-9.3000113.9F177 S181F177-D179 WeakPolarHBondContact CB-OD1 3.24Å; F177-D179 PolarHBondContact O-N 3.5Å; D179-S181 VanDerWaalsContact C-N 3.28Å; D179-S181 PolarHBondContact O-N 3.26Å; D179-S181 VanDerWaalsContact OD1-CB 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.37Å; D179-S181 PolarHBondContact OD1-N 2.95Å; D179-S181 PolarHBondContact OD1-OG 3.23Å; D179-S181 PolarHBondContact OD2-OG 3.01Å
180G82.2Confident86.2Confident59 Ų5950.1 Ų50.161%0.60828%0.28SS*.SBendtrans80.71.7-176.500000114.5F177 V178F177-G180 PolarHBondContact O-N 3.49Å; V178-G180 VanDerWaalsContact C-N 3.28Å; V178-G180 PolarHBondContact O-N 2.95Å
181S83.7Confident86.3Confident31 Ų3149.2 Ų49.222%0.21727%0.274CS..  trans-64.5149.2173.864.70000111.2I114 F177 D179I114-S181 WeakPolarHBondContact CG2-OG 3.29Å; F177-S181 WeakPolarHBondContact CB-OG 3.43Å; F177-S181 PolarHBondContact N-O 3.28Å; D179-S181 VanDerWaalsContact C-N 3.28Å; D179-S181 PolarHBondContact O-N 3.26Å; D179-S181 VanDerWaalsContact OD1-CB 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.37Å; D179-S181 PolarHBondContact OD1-N 2.95Å; D179-S181 PolarHBondContact OD1-OG 3.23Å; D179-S181 PolarHBondContact OD2-OG 3.01Å
182S89.5Confident86.7Confident40 Ų4047.7 Ų47.728%0.2826%0.262SS..  trans-151.2143.4-179.968.40000110.3
183V94.2Very high87.8Confident1 Ų139.6 Ų39.61%0.00623%0.228CC..  trans-95.4131.4166.1179.70000108V110 M113 I114 L121 V185V110-V183 HydrophobicContact CG1-CG2 4.16Å; M113-V183 HydrophobicContact CB-CG2 4.06Å; M113-V183 HydrophobicContact CE-CG1 3.56Å; M113-V183 HydrophobicContact CE-CG2 4.29Å; M113-V183 HydrophobicContact SD-CG1 4.33Å; I114-V183 HydrophobicContact CD1-CG2 4.2Å; I114-V183 HydrophobicContact CG1-CG2 3.72Å; L121-V183 HydrophobicContact CB-CG1 3.59Å; V183-V185 HydrophobicContact CG1-CG2 4.28Å
184K95.3Very high88.9Confident40 Ų4035 Ų3517%0.17420%0.203CC..EExtended strand (participates in β ladder)trans-83.7134.6174.1-52.4-67.5176164.80108.5P119 Y120 L121 L243 P247 D248 N251P119-K184 PolarHBondContact O-N 2.83Å; Y120-K184 HydrophobicContact CD1-CB 4.1Å; Y120-K184 HydrophobicContact CE1-CB 4.44Å; Y120-K184 HydrophobicContact CE1-CG 4.47Å; L121-K184 PolarHBondContact N-O 2.91Å; K184-L243 HydrophobicContact CB-CD1 3.84Å; K184-L243 HydrophobicContact CB-CG 4.36Å; K184-L243 WeakPolarHBondContact O-CD2 3.48Å; K184-P247 HydrophobicContact CG-CB 4.17Å; K184-D248 IonicContact NZ-OD1 3.24Å; K184-D248 PolarHBondContact NZ-OD1 2.92Å; K184-N251 WeakPolarHBondContact CA-OD1 3.21Å; K184-N251 HydrophobicContact CD-CB 3.88Å
185V96.9Very high90.1Very high0 Ų034.6 Ų34.60%020%0.199CC..EExtended strand (participates in β ladder)trans-130.8138.6-169.9-167.60000112L121 L169 V183 N251 G252L121-V185 HydrophobicContact CB-CG1 4.32Å; L121-V185 HydrophobicContact CB-CG2 4.15Å; L121-V185 HydrophobicContact CD2-CG1 4.11Å; L121-V185 HydrophobicContact CD2-CG2 4.15Å; L121-V185 HydrophobicContact CG-CG1 4.18Å; L121-V185 VanDerWaalsContact O-CA 3.29Å; L121-V185 WeakPolarHBondContact O-CA 3.32Å; L169-V185 HydrophobicContact CB-CG1 4.32Å; L169-V185 HydrophobicContact CD1-CG1 4.46Å; L169-V185 HydrophobicContact CD2-CG2 4.4Å; V183-V185 HydrophobicContact CG1-CG2 4.28Å; V185-N251 PolarHBondContact N-OD1 3.05Å; V185-G252 PolarHBondContact O-N 2.95Å
186I97.2Very high91Very high0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-118.6133.1155.5-62.9-178.8000108.3L121 I122 Y123 A239 L243 C250 E253 V255 L342L121-I186 PolarHBondContact O-N 2.73Å; I122-I186 WeakPolarHBondContact CA-O 3.34Å; I122-I186 HydrophobicContact CD1-CB 4.07Å; Y123-I186 PolarHBondContact N-O 3.2Å; I186-A239 HydrophobicContact CB-CB 4.34Å; I186-A239 HydrophobicContact CD1-CB 4.21Å; I186-A239 WeakPolarHBondContact CD1-O 3.21Å; I186-A239 HydrophobicContact CG2-CB 3.99Å; I186-L243 HydrophobicContact CD1-CB 3.86Å; I186-L243 HydrophobicContact CD1-CD1 4.35Å; I186-L243 HydrophobicContact CG1-CB 4.21Å; I186-L243 HydrophobicContact CG1-CD1 3.99Å; I186-L243 HydrophobicContact CG1-CD2 4.32Å; I186-L243 HydrophobicContact CG1-CG 4.4Å; I186-C250 HydrophobicContact CD1-CB 3.82Å; I186-C250 HydrophobicContact CG1-CB 4.19Å; I186-E253 CarbonylContact C-O 3.5Å; I186-E253 WeakPolarHBondContact CA-O 3.25Å; I186-V255 HydrophobicContact CG2-CG2 4.29Å; I186-L342 HydrophobicContact CD1-CD2 4.34Å
187A97.4Very high91.9Very high0 Ų027.5 Ų27.50%017%0.167CC..EExtended strand (participates in β ladder)trans-101.6130.617300000111.1Y123 E166 E253 V254 V255Y123-A187 HydrophobicContact CD1-CB 3.92Å; Y123-A187 CarbonylContact O-C 3.59Å; Y123-A187 VanDerWaalsContact O-CA 3.31Å; Y123-A187 WeakPolarHBondContact O-CA 3.31Å; E166-A187 HydrophobicContact CG-CB 3.83Å; A187-E253 PolarHBondContact N-O 2.85Å; A187-V254 HydrophobicContact CB-CG1 4.29Å; A187-V254 HydrophobicContact CB-CG2 4.18Å; A187-V254 CarbonylContact O-C 3.53Å; A187-V254 WeakPolarHBondContact O-CA 3.32Å; A187-V255 PolarHBondContact O-N 2.85Å
188I98Very high92.6Very high0 Ų025.2 Ų25.20%016%0.157CC..EExtended strand (participates in β ladder)trans-109.5124.9176.4-63.8169.1000108.9I122 Y123 T124 G125 P190 M235 H236 A239 V255 C257I122-I188 HydrophobicContact CG2-CD1 3.84Å; I122-I188 HydrophobicContact CG2-CG1 4.48Å; Y123-I188 PolarHBondContact O-N 2.97Å; T124-I188 CarbonylContact C-O 3.43Å; G125-I188 WeakPolarHBondContact CA-O 3.33Å; G125-I188 PolarHBondContact N-O 3.42Å; I188-P190 WeakPolarHBondContact O-CD 3.17Å; I188-M235 HydrophobicContact CD1-CB 4.41Å; I188-M235 HydrophobicContact CD1-CG 4.01Å; I188-M235 HydrophobicContact CG1-CG 4.44Å; I188-M235 HydrophobicContact CG1-SD 4.38Å; I188-M235 HydrophobicContact CG2-CG 4.43Å; I188-M235 HydrophobicContact CG2-SD 3.76Å; I188-H236 VanDerWaalsContact CD1-CA 3.41Å; I188-H236 HydrophobicContact CD1-CB 4.05Å; I188-H236 WeakPolarHBondContact CD1-ND1 3.36Å; I188-A239 HydrophobicContact CD1-CB 3.79Å; I188-A239 HydrophobicContact CG1-CB 4.38Å; I188-V255 CarbonylContact C-O 3.59Å; I188-V255 WeakPolarHBondContact CA-O 3.41Å; I188-V255 HydrophobicContact CG1-CG2 3.9Å; I188-C257 HydrophobicContact CG2-CB 3.76Å
189R96.9Very high93.3Very high3 Ų320.8 Ų20.81%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-105.988.2179.4-70.2-178.1179.8171.6-0.6110.4A127 T144 E166 V254 V255 N256 C257A127-R189 HydrophobicContact CB-CB 4.38Å; T144-R189 PolarHBondContact OG1-NH1 3.14Å; E166-R189 VanDerWaalsContact CD-NE 3.33Å; E166-R189 IonicContact OE1-CZ 3.42Å; E166-R189 VanDerWaalsContact OE1-CZ 3.27Å; E166-R189 IonicContact OE1-NE 3.96Å; E166-R189 PolarHBondContact OE1-NE 3.45Å; E166-R189 IonicContact OE1-NH2 3.92Å; E166-R189 PolarHBondContact OE1-NH2 3.23Å; E166-R189 VanDerWaalsContact OE2-CG 3.29Å; E166-R189 WeakPolarHBondContact OE2-CG 3.35Å; E166-R189 IonicContact OE2-CZ 3.15Å; E166-R189 IonicContact OE2-NE 2.74Å; E166-R189 PolarHBondContact OE2-NE 3.03Å; E166-R189 IonicContact OE2-NH2 3.61Å; R189-V254 HydrophobicContact CG-CG1 3.97Å; R189-V254 VanDerWaalsContact NE-CG1 3.26Å; R189-V255 PolarHBondContact N-O 3.09Å; R189-N256 WeakPolarHBondContact CD-OD1 3.16Å; R189-C257 PolarHBondContact O-N 2.95Å
190P96Very high93.6Very high4 Ų417.2 Ų17.23%0.02611%0.106CC..EExtended strand (participates in β ladder)trans-68.1153.9172.330.7-34.9000111.5T124 A127 I188 M193 V232 C257T124-P190 HydrophobicContact CG2-CG 4.08Å; A127-P190 WeakPolarHBondContact CB-O 3.41Å; A127-P190 PolarHBondContact N-O 2.8Å; I188-P190 WeakPolarHBondContact O-CD 3.17Å; P190-M193 HydrophobicContact CB-CG 3.93Å; P190-M193 HydrophobicContact CB-SD 3.98Å; P190-M193 HydrophobicContact CG-CE 4.42Å; P190-M193 HydrophobicContact CG-CG 4.4Å; P190-M193 HydrophobicContact CG-SD 3.99Å; P190-V232 HydrophobicContact CB-CG1 3.86Å; P190-V232 HydrophobicContact CB-CG2 3.77Å; P190-V232 HydrophobicContact CG-CG1 4.18Å; P190-C257 HydrophobicContact CB-CB 4.45Å
191T94.5Very high93.9Very high3 Ų314.5 Ų14.52%0.0188%0.078CC..  trans-79.1-168.3162.672.90000110.4A127 F128 M193 E225 T227 C257 N258 V333A127-T191 HydrophobicContact CB-CG2 4.07Å; F128-T191 HydrophobicContact CE2-CG2 4.45Å; F128-T191 HydrophobicContact CZ-CG2 3.97Å; T191-M193 WeakPolarHBondContact O-CG 3.43Å; T191-M193 PolarHBondContact O-N 3.37Å; T191-E225 WeakPolarHBondContact CB-O 3.29Å; T191-E225 HydrophobicContact CG2-CB 4.39Å; T191-E225 PolarHBondContact OG1-O 3.16Å; T191-T227 PolarHBondContact OG1-N 2.92Å; T191-T227 PolarHBondContact OG1-OG1 3.49Å; T191-C257 PolarHBondContact N-O 2.88Å; T191-N258 HydrophobicContact CG2-CB 4.34Å; T191-V333 HydrophobicContact CG2-CG2 3.75Å
192L94Very high94.3Very high13 Ų1313.1 Ų13.17%0.0687%0.068CC..EExtended strand (participates in β ladder)trans-55.6114.5175.4-177.765.7000110.3F201 L224 T226 T227 F266 F326L192-F201 HydrophobicContact CD1-CD1 4.01Å; L192-F201 HydrophobicContact CD1-CE1 4.37Å; L192-F201 HydrophobicContact CG-CE1 4.48Å; L192-L224 HydrophobicContact CB-CD1 4.26Å; L192-L224 HydrophobicContact CD2-CD1 3.85Å; L192-L224 HydrophobicContact CD2-CD2 4.36Å; L192-T226 HydrophobicContact CB-CG2 4.4Å; L192-T226 HydrophobicContact CD2-CG2 4.26Å; L192-T226 VanDerWaalsContact O-CA 3.24Å; L192-T226 WeakPolarHBondContact O-CA 3.42Å; L192-T227 PolarHBondContact O-N 3.11Å; L192-F266 HydrophobicContact CD2-CD2 4.13Å; L192-F266 HydrophobicContact CD2-CE2 3.9Å; L192-F326 HydrophobicContact CD2-CE1 4.06Å
193M95.5Very high94.4Very high36 Ų3612.1 Ų12.118%0.1776%0.061CC..EExtended strand (participates in β ladder)trans-84.3143.5-174.9-64-177-71.700111.5F16 L17 P190 T191 F201 T227 V232F16-M193 HydrophobicContact CE1-CB 3.81Å; L17-M193 HydrophobicContact CB-CE 4.46Å; L17-M193 HydrophobicContact CD1-SD 4.18Å; L17-M193 HydrophobicContact CD2-CE 4.46Å; L17-M193 HydrophobicContact CD2-SD 4.24Å; P190-M193 HydrophobicContact CB-CG 3.93Å; P190-M193 HydrophobicContact CB-SD 3.98Å; P190-M193 HydrophobicContact CG-CE 4.42Å; P190-M193 HydrophobicContact CG-CG 4.4Å; P190-M193 HydrophobicContact CG-SD 3.99Å; T191-M193 WeakPolarHBondContact O-CG 3.43Å; T191-M193 PolarHBondContact O-N 3.37Å; M193-F201 VanDerWaalsContact O-CE1 3.29Å; M193-F201 WeakPolarHBondContact O-CE1 3.36Å; M193-T227 CarbonylContact C-O 3.52Å; M193-T227 WeakPolarHBondContact CA-O 3.41Å; M193-V232 HydrophobicContact CG-CG2 4.05Å; M193-V232 HydrophobicContact SD-CB 4.24Å; M193-V232 HydrophobicContact SD-CG1 4.03Å; M193-V232 HydrophobicContact SD-CG2 3.97Å
194Y95.5Very high94.2Very high4 Ų415.3 Ų15.32%0.0168%0.075CC..EExtended strand (participates in β ladder)trans-136160.3169.375-79.9000110.8T227 Y228 A229 F269 T353 M354 T357Y194-T227 WeakPolarHBondContact CD1-O 3.27Å; Y194-T227 VanDerWaalsContact CE1-C 3.45Å; Y194-T227 PolarHBondContact N-O 3.2Å; Y194-Y228 HydrophobicContact CD2-CD2 4.41Å; Y194-Y228 HydrophobicContact CE2-CD2 4.09Å; Y194-Y228 CarbonylContact O-C 3.56Å; Y194-Y228 WeakPolarHBondContact O-CA 3.32Å; Y194-Y228 WeakPolarHBondContact O-CD2 3.16Å; Y194-A229 PolarHBondContact O-N 3.04Å; Y194-F269 HydrophobicContact CD1-CE2 4.12Å; Y194-F269 HydrophobicContact CD1-CZ 4.04Å; Y194-F269 HydrophobicContact CD2-CE2 4.48Å; Y194-F269 HydrophobicContact CD2-CZ 4.29Å; Y194-F269 HydrophobicContact CG-CE2 4.1Å; Y194-F269 AromaticContact CG-CZ 3.71Å; Y194-F269 HydrophobicContact CG-CZ 3.71Å; Y194-T353 PolarHBondContact OH-OG1 3.06Å; Y194-M354 HydrophobicContact CE2-CE 4.39Å; Y194-T357 HydrophobicContact CD2-CG2 4.29Å
195G96.4Very high94Very high0 Ų013.7 Ų13.70%07%0.069CC..SBendtrans156.5174.3-175.100000112.2G197 E198 T357G195-G197 PolarHBondContact O-N 3.44Å; G195-E198 VanDerWaalsContact O-CB 3.31Å; G195-E198 WeakPolarHBondContact O-CB 3.42Å; G195-E198 PolarHBondContact O-N 3.18Å; G195-T357 WeakPolarHBondContact CA-OG1 3.48Å; G195-T357 WeakPolarHBondContact O-CG2 3.37Å
196E96Very high93.7Very high8 Ų814.1 Ų14.14%0.0377%0.071CC..THydrogen-bonded Turntrans-62.2132.5173.4-51.7101.2105.500110.5F16 H20 R23 L48 E198 Y228 R356 W360F16-E196 WeakPolarHBondContact CE2-O 3.46Å; H20-E196 IonicContact CE1-OE2 2.59Å; H20-E196 PolarHBondContact NE2-O 3.43Å; R23-E196 IonicContact NH1-OE1 2.9Å; L48-E196 HydrophobicContact CD2-CB 3.49Å; L48-E196 VanDerWaalsContact CD2-CB 3.49Å; L48-E196 HydrophobicContact CD2-CG 4.48Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E196-Y228 PolarHBondContact OE1-OH 3.36Å; E196-Y228 WeakPolarHBondContact OE2-CE2 3.5Å; E196-Y228 VanDerWaalsContact OE2-CZ 3.25Å; E196-Y228 PolarHBondContact OE2-OH 2.79Å; E196-R356 HydrophobicContact CG-CG 4.26Å; E196-R356 WeakPolarHBondContact OE1-CD 3.48Å; E196-R356 WeakPolarHBondContact OE1-CG 3.49Å; E196-R356 IonicContact OE1-CZ 2.7Å; E196-R356 IonicContact OE1-NE 2.9Å; E196-R356 PolarHBondContact OE1-NE 3.4Å; E196-R356 IonicContact OE1-NH2 2.64Å; E196-R356 PolarHBondContact OE1-NH2 3.38Å; E196-W360 HydrophobicContact CB-CB 3.9Å; E196-W360 HydrophobicContact CB-CD2 3.88Å; E196-W360 HydrophobicContact CB-CG 3.51Å; E196-W360 HydrophobicContact CG-CB 3.54Å; E196-W360 HydrophobicContact CG-CG 3.74Å
197G93.9Very high93.4Very high1 Ų117.6 Ų17.61%0.018%0.084CC..THydrogen-bonded Turntrans84.95.3-175.500000114.7F16 G195 N199 W360F16-G197 WeakPolarHBondContact CD2-O 3.3Å; G195-G197 PolarHBondContact O-N 3.44Å; G197-N199 WeakPolarHBondContact O-CB 3.21Å; G197-N199 PolarHBondContact O-N 3.48Å; G197-N199 VanDerWaalsContact O-N 3.09Å; G197-W360 VanDerWaalsContact CA-CZ2 3.45Å; G197-W360 VanDerWaalsContact N-CE2 3.32Å; G197-W360 VanDerWaalsContact N-CZ2 3.26Å; G197-W360 VanDerWaalsContact N-CZ3 3.31Å
198E93.8Very high93.1Very high3 Ų319.1 Ų19.11%0.0149%0.092CC..  trans-55.6118.9170.9-162.1-62.1131.100108.5F16 G195 E196 F200 F201 L202 P203F16-E198 HydrophobicContact CD1-CG 4.46Å; F16-E198 HydrophobicContact CD2-CB 4.46Å; F16-E198 HydrophobicContact CE1-CB 4.21Å; F16-E198 HydrophobicContact CE1-CG 3.99Å; F16-E198 HydrophobicContact CE2-CB 4.04Å; F16-E198 HydrophobicContact CZ-CB 3.9Å; F16-E198 HydrophobicContact CZ-CG 4.12Å; G195-E198 VanDerWaalsContact O-CB 3.31Å; G195-E198 WeakPolarHBondContact O-CB 3.42Å; G195-E198 PolarHBondContact O-N 3.18Å; E196-E198 VanDerWaalsContact C-N 3.33Å; E198-F200 VanDerWaalsContact OE1-CA 3.28Å; E198-F200 WeakPolarHBondContact OE1-CA 3.49Å; E198-F200 VanDerWaalsContact OE1-CB 3.24Å; E198-F200 WeakPolarHBondContact OE1-CB 3.24Å; E198-F200 PolarHBondContact OE1-N 3.12Å; E198-F200 PolarHBondContact OE2-N 2.94Å; E198-F201 VanDerWaalsContact CD-CE1 3.42Å; E198-F201 HydrophobicContact CG-CD1 3.98Å; E198-F201 HydrophobicContact CG-CE1 3.48Å; E198-F201 VanDerWaalsContact CG-CE1 3.48Å; E198-F201 HydrophobicContact CG-CZ 4.13Å; E198-F201 WeakPolarHBondContact OE1-CD1 3.45Å; E198-F201 PolarHBondContact OE1-N 3.46Å; E198-F201 PolarHBondContact OE2-N 3Å; E198-L202 HydrophobicContact CB-CD1 4.1Å; E198-L202 HydrophobicContact CG-CD1 4.37Å; E198-L202 HydrophobicContact CG-CG 4.46Å; E198-L202 WeakPolarHBondContact OE2-CB 3.48Å; E198-L202 VanDerWaalsContact OE2-CG 3.27Å; E198-L202 WeakPolarHBondContact OE2-CG 3.39Å; E198-L202 PolarHBondContact OE2-N 2.84Å; E198-P203 WeakPolarHBondContact OE2-CD 3.41Å
199N89.7Confident92.8Very high69 Ų6919.1 Ų19.137%0.3699%0.092SC..  trans-131.321.1-167.865.80.6000112.3G197 Y368G197-N199 WeakPolarHBondContact O-CB 3.21Å; G197-N199 PolarHBondContact O-N 3.48Å; G197-N199 VanDerWaalsContact O-N 3.09Å; N199-Y368 HydrophobicContact CB-CE1 4.23Å
200F88Confident92.6Very high46 Ų4624.2 Ų24.220%0.20211%0.112CC..SBendtrans-119.1-66.6-175.5172.1-122.5000112.1Q86 F87 F89 E198Q86-F200 HydrophobicContact CB-CD2 3.65Å; Q86-F200 HydrophobicContact CB-CE2 3.55Å; Q86-F200 HydrophobicContact CB-CG 4.28Å; Q86-F200 HydrophobicContact CB-CZ 4.09Å; Q86-F200 HydrophobicContact CG-CD2 4.09Å; Q86-F200 HydrophobicContact CG-CE2 4.46Å; Q86-F200 HydrophobicContact CG-CG 4.37Å; F87-F200 HydrophobicContact CB-CZ 3.97Å; F87-F200 WeakPolarHBondContact O-CE2 3.18Å; F87-F200 WeakPolarHBondContact O-CZ 3.45Å; F89-F200 HydrophobicContact CD2-CE2 4.47Å; F89-F200 HydrophobicContact CD2-CZ 4.49Å; F89-F200 HydrophobicContact CE1-CE1 4.23Å; F89-F200 AromaticContact CE1-CZ 3.89Å; F89-F200 HydrophobicContact CE1-CZ 3.89Å; F89-F200 HydrophobicContact CE2-CD2 4.3Å; F89-F200 HydrophobicContact CE2-CE1 4.15Å; F89-F200 AromaticContact CE2-CE2 3.65Å; F89-F200 HydrophobicContact CE2-CE2 3.65Å; F89-F200 AromaticContact CE2-CZ 3.56Å; F89-F200 HydrophobicContact CE2-CZ 3.56Å; F89-F200 HydrophobicContact CZ-CD1 4.25Å; F89-F200 AromaticContact CZ-CE1 3.48Å; F89-F200 HydrophobicContact CZ-CE1 3.48Å; F89-F200 VanDerWaalsContact CZ-CE1 3.48Å; F89-F200 AromaticContact CZ-CE2 3.82Å; F89-F200 HydrophobicContact CZ-CE2 3.82Å; F89-F200 AromaticContact CZ-CZ 3.2Å; F89-F200 HydrophobicContact CZ-CZ 3.2Å; E198-F200 VanDerWaalsContact OE1-CA 3.28Å; E198-F200 WeakPolarHBondContact OE1-CA 3.49Å; E198-F200 VanDerWaalsContact OE1-CB 3.24Å; E198-F200 WeakPolarHBondContact OE1-CB 3.24Å; E198-F200 PolarHBondContact OE1-N 3.12Å; E198-F200 PolarHBondContact OE2-N 2.94Å
201F89.1Confident92.4Very high3 Ų329 Ų291%0.01313%0.132CC..Hα-helixtrans-92.6-34.2-175.876.2-91.2000113.8F89 L192 M193 E198 E204 V205 F266 F269 L270F89-F201 HydrophobicContact CE2-CB 4.36Å; F89-F201 HydrophobicContact CZ-CB 3.99Å; L192-F201 HydrophobicContact CD1-CD1 4.01Å; L192-F201 HydrophobicContact CD1-CE1 4.37Å; L192-F201 HydrophobicContact CG-CE1 4.48Å; M193-F201 VanDerWaalsContact O-CE1 3.29Å; M193-F201 WeakPolarHBondContact O-CE1 3.36Å; E198-F201 VanDerWaalsContact CD-CE1 3.42Å; E198-F201 HydrophobicContact CG-CD1 3.98Å; E198-F201 HydrophobicContact CG-CE1 3.48Å; E198-F201 VanDerWaalsContact CG-CE1 3.48Å; E198-F201 HydrophobicContact CG-CZ 4.13Å; E198-F201 WeakPolarHBondContact OE1-CD1 3.45Å; E198-F201 PolarHBondContact OE1-N 3.46Å; E198-F201 PolarHBondContact OE2-N 3Å; F201-E204 PolarHBondContact O-N 2.61Å; F201-V205 WeakPolarHBondContact O-CG2 3.24Å; F201-V205 PolarHBondContact O-N 2.92Å; F201-F266 HydrophobicContact CD2-CE2 4.23Å; F201-F266 HydrophobicContact CD2-CZ 4.26Å; F201-F266 HydrophobicContact CE2-CE2 4.48Å; F201-F269 AromaticContact CE2-CE1 3.99Å; F201-F269 HydrophobicContact CE2-CE1 3.99Å; F201-F269 AromaticContact CZ-CE1 3.77Å; F201-F269 HydrophobicContact CZ-CE1 3.77Å; F201-F269 HydrophobicContact CZ-CZ 4.46Å; F201-L270 HydrophobicContact CD2-CD2 3.87Å; F201-L270 HydrophobicContact CE2-CD2 3.56Å
202L92.8Very high92.2Very high1 Ų133.6 Ų33.61%0.00515%0.15CC..Hα-helixtrans-64.2-38.6176.9-64.7176.8000112.5E198 E204 V205 M206 L270 F273 W361E198-L202 HydrophobicContact CB-CD1 4.1Å; E198-L202 HydrophobicContact CG-CD1 4.37Å; E198-L202 HydrophobicContact CG-CG 4.46Å; E198-L202 WeakPolarHBondContact OE2-CB 3.48Å; E198-L202 VanDerWaalsContact OE2-CG 3.27Å; E198-L202 WeakPolarHBondContact OE2-CG 3.39Å; E198-L202 PolarHBondContact OE2-N 2.84Å; L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 2.86Å; L202-V205 WeakPolarHBondContact O-CB 3.43Å; L202-V205 PolarHBondContact O-N 3.35Å; L202-M206 WeakPolarHBondContact O-CG 3.22Å; L202-M206 PolarHBondContact O-N 2.95Å; L202-L270 HydrophobicContact CD2-CD2 4.01Å; L202-F273 HydrophobicContact CD1-CD1 4.28Å; L202-F273 HydrophobicContact CD1-CG 4.49Å; L202-F273 HydrophobicContact CD2-CB 3.86Å; L202-F273 HydrophobicContact CD2-CD1 4.38Å; L202-F273 HydrophobicContact CD2-CD2 3.92Å; L202-F273 HydrophobicContact CD2-CG 3.79Å; L202-W361 HydrophobicContact CB-CE3 4.13Å; L202-W361 HydrophobicContact CB-CH2 3.42Å; L202-W361 VanDerWaalsContact CB-CH2 3.42Å; L202-W361 HydrophobicContact CB-CZ2 3.99Å; L202-W361 HydrophobicContact CB-CZ3 3.49Å; L202-W361 VanDerWaalsContact CB-CZ3 3.49Å; L202-W361 HydrophobicContact CD1-CD2 4.04Å; L202-W361 HydrophobicContact CD1-CE3 3.66Å; L202-W361 HydrophobicContact CD1-CH2 4.45Å; L202-W361 HydrophobicContact CD1-CZ3 3.9Å; L202-W361 HydrophobicContact CG-CH2 4.48Å; L202-W361 HydrophobicContact CG-CZ3 4.33Å
203P91.2Very high92.2Very high20 Ų2035.3 Ų35.313%0.1317%0.17CC..Hα-helixtrans-62.4-36.9173.1-25.337.4000112.9E198 M206 R207 Y368E198-P203 WeakPolarHBondContact OE2-CD 3.41Å; P203-M206 WeakPolarHBondContact O-CB 3.4Å; P203-M206 PolarHBondContact O-N 3.11Å; P203-R207 PolarHBondContact O-N 3.38Å; P203-Y368 HydrophobicContact CB-CD1 3.72Å; P203-Y368 HydrophobicContact CB-CE1 4.41Å; P203-Y368 HydrophobicContact CB-CG 4.33Å; P203-Y368 HydrophobicContact CG-CD1 3.33Å; P203-Y368 HydrophobicContact CG-CE1 3.59Å; P203-Y368 HydrophobicContact CG-CG 4.05Å
204E89.5Confident92.1Very high67 Ų6735.9 Ų35.931%0.31317%0.172SC..Hα-helixtrans-68-39.2175.4-76.3-65.4142.800112.1F89 F201 L202 M206 R207 L208F89-E204 HydrophobicContact CD2-CB 4.19Å; F89-E204 HydrophobicContact CD2-CG 3.8Å; F89-E204 HydrophobicContact CE2-CB 4.19Å; F89-E204 HydrophobicContact CE2-CG 3.93Å; F201-E204 PolarHBondContact O-N 2.61Å; L202-E204 VanDerWaalsContact C-N 3.3Å; L202-E204 PolarHBondContact O-N 2.86Å; E204-M206 VanDerWaalsContact C-N 3.3Å; E204-M206 PolarHBondContact O-N 3.48Å; E204-R207 WeakPolarHBondContact O-CB 3.29Å; E204-R207 PolarHBondContact O-N 2.75Å; E204-R207 IonicContact OE1-NE 3.77Å; E204-R207 IonicContact OE2-CZ 2.76Å; E204-R207 VanDerWaalsContact OE2-CZ 3.3Å; E204-R207 IonicContact OE2-NE 2.95Å; E204-R207 PolarHBondContact OE2-NE 3.24Å; E204-R207 IonicContact OE2-NH2 3.25Å; E204-R207 PolarHBondContact OE2-NH2 3.41Å; E204-L208 WeakPolarHBondContact O-CG 3.48Å; E204-L208 PolarHBondContact O-N 3.34Å
205V91.1Very high92Very high7 Ų736.1 Ų36.14%0.04217%0.174CC..Hα-helixtrans-58.3-44.91701700000110.5F201 L202 L208 C209 M215 L270 V274F201-V205 WeakPolarHBondContact O-CG2 3.24Å; F201-V205 PolarHBondContact O-N 2.92Å; L202-V205 WeakPolarHBondContact O-CB 3.43Å; L202-V205 PolarHBondContact O-N 3.35Å; V205-L208 PolarHBondContact O-N 2.91Å; V205-C209 PolarHBondContact O-N 2.64Å; V205-C209 PolarHBondContact O-SG 3.18Å; V205-M215 HydrophobicContact CB-SD 4.49Å; V205-M215 HydrophobicContact CG1-CE 4.48Å; V205-M215 HydrophobicContact CG1-CG 4.44Å; V205-M215 HydrophobicContact CG1-SD 3.93Å; V205-M215 HydrophobicContact CG2-CE 4.08Å; V205-M215 HydrophobicContact CG2-SD 4.5Å; V205-L270 HydrophobicContact CG1-CD1 4.43Å; V205-L270 HydrophobicContact CG2-CD1 3.54Å; V205-L270 HydrophobicContact CG2-CD2 3.89Å; V205-L270 HydrophobicContact CG2-CG 4.37Å; V205-V274 HydrophobicContact CG1-CG2 3.69Å
206M92.2Very high91.7Very high9 Ų937.2 Ų37.24%0.04418%0.181CC..Hα-helixtrans-64.1-40177-75.3-58.1-64.900113.2L202 P203 E204 L208 C209 R210 S277 Y279 W361L202-M206 WeakPolarHBondContact O-CG 3.22Å; L202-M206 PolarHBondContact O-N 2.95Å; P203-M206 WeakPolarHBondContact O-CB 3.4Å; P203-M206 PolarHBondContact O-N 3.11Å; E204-M206 VanDerWaalsContact C-N 3.3Å; E204-M206 PolarHBondContact O-N 3.48Å; M206-L208 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 2.62Å; M206-C209 PolarHBondContact O-N 3.07Å; M206-R210 PolarHBondContact O-N 3.45Å; M206-S277 WeakPolarHBondContact SD-CB 3.38Å; M206-S277 PolarHBondContact SD-OG 3.33Å; M206-Y279 HydrophobicContact CE-CD2 4.41Å; M206-Y279 HydrophobicContact CE-CE2 3.91Å; M206-W361 HydrophobicContact CG-CH2 3.54Å; M206-W361 HydrophobicContact CG-CZ2 3.28Å; M206-W361 HydrophobicContact SD-CZ2 3.76Å
207R90.9Very high91.3Very high72 Ų7238.2 Ų38.227%0.27219%0.185SC..Hα-helixtrans-59.3-44.9174.6-171.8-172.36474.96111P203 E204 K211 D316P203-R207 PolarHBondContact O-N 3.38Å; E204-R207 WeakPolarHBondContact O-CB 3.29Å; E204-R207 PolarHBondContact O-N 2.75Å; E204-R207 IonicContact OE1-NE 3.77Å; E204-R207 IonicContact OE2-CZ 2.76Å; E204-R207 VanDerWaalsContact OE2-CZ 3.3Å; E204-R207 IonicContact OE2-NE 2.95Å; E204-R207 PolarHBondContact OE2-NE 3.24Å; E204-R207 IonicContact OE2-NH2 3.25Å; E204-R207 PolarHBondContact OE2-NH2 3.41Å; R207-K211 WeakPolarHBondContact O-CB 3.31Å; R207-K211 PolarHBondContact O-N 3.02Å; R207-D316 IonicContact NH1-OD1 2.76Å; R207-D316 IonicContact NH1-OD2 3.69Å
208L90Very high90.8Very high33 Ų3338.6 Ų38.617%0.17319%0.187CC..Hα-helixtrans-64.5-44175.7-65.8171.4000111.7E204 V205 M206 R210 K211 Y212 M215E204-L208 WeakPolarHBondContact O-CG 3.48Å; E204-L208 PolarHBondContact O-N 3.34Å; V205-L208 PolarHBondContact O-N 2.91Å; M206-L208 VanDerWaalsContact C-N 3.33Å; M206-L208 PolarHBondContact O-N 2.62Å; L208-R210 PolarHBondContact O-N 3.49Å; L208-K211 PolarHBondContact O-N 3.36Å; L208-Y212 HydrophobicContact CB-CD2 4.43Å; L208-Y212 HydrophobicContact CD2-CD2 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 3.84Å; L208-Y212 VanDerWaalsContact O-CD2 3.27Å; L208-Y212 WeakPolarHBondContact O-CD2 3.38Å; L208-Y212 PolarHBondContact O-N 3.27Å; L208-M215 HydrophobicContact CB-SD 4.18Å; L208-M215 HydrophobicContact CD1-CE 4.06Å; L208-M215 HydrophobicContact CD1-SD 4.12Å
209C92.7Very high89.9Confident0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-59.9-45.5177.1-690000112.1V205 M206 K211 G213 F214 Y279V205-C209 PolarHBondContact O-N 2.64Å; V205-C209 PolarHBondContact O-SG 3.18Å; M206-C209 PolarHBondContact O-N 3.07Å; C209-K211 VanDerWaalsContact C-N 3.32Å; C209-K211 PolarHBondContact O-N 3.34Å; C209-G213 CarbonylContact O-C 3.52Å; C209-G213 WeakPolarHBondContact O-CA 3.15Å; C209-G213 PolarHBondContact O-N 3.3Å; C209-F214 PolarHBondContact O-N 3.22Å; C209-Y279 HydrophobicContact CB-CD1 3.89Å; C209-Y279 HydrophobicContact CB-CD2 3.53Å; C209-Y279 HydrophobicContact CB-CE1 4.11Å; C209-Y279 HydrophobicContact CB-CE2 3.76Å; C209-Y279 HydrophobicContact CB-CG 3.59Å; C209-Y279 WeakPolarHBondContact O-CE1 3.34Å
210R92.4Very high89.3Confident109 Ų10938.3 Ų38.341%0.41120%0.195SC..Hα-helixtrans-62.5-38.9175.3-79.6-170.4-69.4-83.41.3112.5M206 L208 Y279 Y368M206-R210 PolarHBondContact O-N 3.45Å; L208-R210 PolarHBondContact O-N 3.49Å; R210-Y279 WeakPolarHBondContact CG-OH 3.38Å; R210-Y368 PolarHBondContact NH1-O 2.95Å; R210-Y368 PolarHBondContact NH2-O 3.49Å; R210-Y368 VanDerWaalsContact NH2-O 3.07Å; R210-Y368 PolarHBondContact NH2-OXT 3.3Å
211K91.1Very high89Confident105 Ų10538.8 Ų38.846%0.45721%0.213SC..Hα-helixtrans-69.3-43.7-178.6-175.2173.1-174.8171.90112.9R207 L208 C209 D316R207-K211 WeakPolarHBondContact O-CB 3.31Å; R207-K211 PolarHBondContact O-N 3.02Å; L208-K211 PolarHBondContact O-N 3.36Å; C209-K211 VanDerWaalsContact C-N 3.32Å; C209-K211 PolarHBondContact O-N 3.34Å; K211-D316 IonicContact NZ-OD2 2.74Å; K211-D316 PolarHBondContact NZ-OD2 2.85Å
212Y91.1Very high88.9Confident99 Ų9938.7 Ų38.739%0.38821%0.213SC..Hα-helixtrans-103.2-11.6-173-60.4-62.1000114.1L208 F214 P216L208-Y212 HydrophobicContact CB-CD2 4.43Å; L208-Y212 HydrophobicContact CD2-CD2 4.46Å; L208-Y212 HydrophobicContact CD2-CE2 3.84Å; L208-Y212 VanDerWaalsContact O-CD2 3.27Å; L208-Y212 WeakPolarHBondContact O-CD2 3.38Å; L208-Y212 PolarHBondContact O-N 3.27Å; Y212-F214 WeakPolarHBondContact O-CD1 3.24Å; Y212-F214 WeakPolarHBondContact O-CE1 3.43Å; Y212-F214 PolarHBondContact O-N 2.77Å; Y212-P216 HydrophobicContact CD2-CG 4.31Å
213G93.9Very high88.9Confident49 Ų4940.2 Ų40.251%0.50522%0.222SC..SBendtrans77.51-17100000114C209 Y279C209-G213 CarbonylContact O-C 3.52Å; C209-G213 WeakPolarHBondContact O-CA 3.15Å; C209-G213 PolarHBondContact O-N 3.3Å; G213-Y279 WeakPolarHBondContact O-CD1 3.47Å
214F93.5Very high89Confident49 Ų4939.4 Ų39.422%0.21522%0.216CC..SBendtrans-159163.5178.660.9-92.9000109.9C209 Y212 P216 Q280 K282 L284C209-F214 PolarHBondContact O-N 3.22Å; Y212-F214 WeakPolarHBondContact O-CD1 3.24Å; Y212-F214 WeakPolarHBondContact O-CE1 3.43Å; Y212-F214 PolarHBondContact O-N 2.77Å; F214-P216 HydrophobicContact CE2-CB 4.14Å; F214-P216 WeakPolarHBondContact O-CD 3.4Å; F214-Q280 WeakPolarHBondContact CB-O 3.5Å; F214-K282 HydrophobicContact CB-CB 4.24Å; F214-K282 HydrophobicContact CD1-CD 4.24Å; F214-K282 HydrophobicContact CD2-CB 3.48Å; F214-K282 VanDerWaalsContact CD2-CB 3.48Å; F214-K282 HydrophobicContact CD2-CD 4.13Å; F214-K282 HydrophobicContact CD2-CG 4.34Å; F214-K282 HydrophobicContact CE1-CD 4.23Å; F214-K282 HydrophobicContact CE2-CB 3.98Å; F214-K282 HydrophobicContact CE2-CD 4.1Å; F214-K282 HydrophobicContact CE2-CG 4.44Å; F214-K282 HydrophobicContact CG-CB 3.94Å; F214-K282 HydrophobicContact CG-CD 4.19Å; F214-K282 HydrophobicContact CZ-CD 4.16Å; F214-L284 HydrophobicContact CE2-CD2 4.02Å; F214-L284 HydrophobicContact CZ-CD2 4.29Å
215M93Very high89.1Confident9 Ų936.5 Ų36.54%0.04420%0.203CC..EExtended strand (participates in β ladder)trans-85.7116.4170-177.659.4-177.200109.6V205 L208 H217 Y267 L270 V274 Q280 L281 K282V205-M215 HydrophobicContact CB-SD 4.49Å; V205-M215 HydrophobicContact CG1-CE 4.48Å; V205-M215 HydrophobicContact CG1-CG 4.44Å; V205-M215 HydrophobicContact CG1-SD 3.93Å; V205-M215 HydrophobicContact CG2-CE 4.08Å; V205-M215 HydrophobicContact CG2-SD 4.5Å; L208-M215 HydrophobicContact CB-SD 4.18Å; L208-M215 HydrophobicContact CD1-CE 4.06Å; L208-M215 HydrophobicContact CD1-SD 4.12Å; M215-H217 PolarHBondContact O-N 2.94Å; M215-Y267 HydrophobicContact CE-CE1 4.08Å; M215-L270 HydrophobicContact CE-CD1 3.96Å; M215-V274 HydrophobicContact CB-CG1 3.89Å; M215-V274 HydrophobicContact CB-CG2 3.97Å; M215-V274 HydrophobicContact CG-CG2 4.19Å; M215-Q280 PolarHBondContact N-O 3.21Å; M215-L281 HydrophobicContact CB-CD1 3.89Å; M215-L281 HydrophobicContact CG-CD1 3.73Å; M215-K282 PolarHBondContact O-N 2.82Å
216P89.4Confident89.2Confident23 Ų2336.7 Ų36.715%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-68.8122.2176.827.1-34.1000111.1Y212 F214 Y267 L284Y212-P216 HydrophobicContact CD2-CG 4.31Å; F214-P216 HydrophobicContact CE2-CB 4.14Å; F214-P216 WeakPolarHBondContact O-CD 3.4Å; P216-Y267 VanDerWaalsContact O-CE1 3.24Å; P216-Y267 WeakPolarHBondContact O-CE1 3.49Å; P216-L284 HydrophobicContact CB-CD1 3.64Å; P216-L284 HydrophobicContact CB-CG 4.26Å
217H88.5Confident89.4Confident28 Ų2836.2 Ų36.213%0.1320%0.202CC..EExtended strand (participates in β ladder)trans-105.4118.8174.1171.7-153.3000109.7M215 Y267 L281 K282 E283 L284M215-H217 PolarHBondContact O-N 2.94Å; H217-Y267 HydrophobicContact CB-CD1 4.08Å; H217-Y267 HydrophobicContact CB-CE1 4.24Å; H217-Y267 HydrophobicContact CB-CG 4.32Å; H217-Y267 AromaticContact CD2-CD1 3.94Å; H217-Y267 AromaticContact CD2-CD2 3.17Å; H217-Y267 WeakPolarHBondContact CD2-CD2 3.22Å; H217-Y267 AromaticContact CD2-CE2 3.52Å; H217-Y267 AromaticContact CD2-CG 3.37Å; H217-Y267 AromaticContact CG-CG 3.95Å; H217-Y267 AromaticContact NE2-CD2 3.68Å; H217-L281 HydrophobicContact CB-CD1 3.77Å; H217-L281 HydrophobicContact CB-CD2 4.23Å; H217-L281 HydrophobicContact CB-CG 3.81Å; H217-K282 PolarHBondContact N-O 2.81Å; H217-E283 WeakPolarHBondContact O-CA 3.39Å; H217-L284 PolarHBondContact O-N 3.39Å
218I82.4Confident89.7Confident10 Ų1032.8 Ų32.85%0.05119%0.189CC..EExtended strand (participates in β ladder)trans-98.5111.1170.1-53-161.4000107.5A220 Y267 T291 F323I218-A220 PolarHBondContact O-N 3.47Å; I218-Y267 PolarHBondContact N-OH 3.32Å; I218-T291 HydrophobicContact CD1-CG2 3.77Å; I218-F323 HydrophobicContact CD1-CD1 4.38Å; I218-F323 HydrophobicContact CD1-CE1 3.45Å; I218-F323 VanDerWaalsContact CD1-CE1 3.45Å; I218-F323 HydrophobicContact CD1-CZ 4.02Å; I218-F323 HydrophobicContact CG1-CE1 4.36Å
219A75.4Confident90Very high44 Ų4431.2 Ų31.236%0.36418%0.18SC..  trans-63.2110.6-179.500000110.3E283A219-E283 HydrophobicContact CB-CG 4.16Å; A219-E283 WeakPolarHBondContact CB-OE1 3.34Å
220A76.7Confident90.2Very high22 Ų2231.2 Ų31.218%0.18218%0.18CC..  trans-148.8153.4173.100000109.1I218 G222 N265 Y288 C327I218-A220 PolarHBondContact O-N 3.47Å; A220-G222 VanDerWaalsContact C-N 3.25Å; A220-G222 PolarHBondContact O-N 2.89Å; A220-N265 PolarHBondContact O-ND2 3.16Å; A220-Y288 HydrophobicContact CB-CD2 3.78Å; A220-Y288 HydrophobicContact CB-CE2 4.44Å; A220-Y288 HydrophobicContact CB-CG 4.29Å; A220-C327 CarbonylContact C-O 3.54Å; A220-C327 VanDerWaalsContact C-O 3.26Å; A220-C327 HydrophobicContact CB-CB 3.88Å; A220-C327 WeakPolarHBondContact CB-O 3.49Å
221G82.3Confident90.5Very high56 Ų5626 Ų2658%0.57716%0.161SC*.  trans-79.78.5-166.400000116.3
222G87.7Confident90.8Very high1 Ų121 Ų211%0.0114%0.139CC..  trans-65.2147.3-177.100000113A220 N265 C327 R329A220-G222 VanDerWaalsContact C-N 3.25Å; A220-G222 PolarHBondContact O-N 2.89Å; G222-N265 PolarHBondContact O-ND2 3.5Å; G222-C327 VanDerWaalsContact CA-O 3.28Å; G222-C327 WeakPolarHBondContact CA-O 3.46Å; G222-C327 PolarHBondContact N-O 2.95Å; G222-R329 CarbonylContact C-O 3.58Å; G222-R329 WeakPolarHBondContact CA-O 3.16Å
223V92.5Very high91.2Very high33 Ų3316.3 Ų16.320%0.212%0.121CC..EExtended strand (participates in β ladder)trans-137.1141.6175.9-60.60000109.1P263 C264 R329 Y330 L331V223-P263 HydrophobicContact CB-CB 4.2Å; V223-P263 HydrophobicContact CG2-CB 4.1Å; V223-C264 WeakPolarHBondContact CA-O 3.39Å; V223-R329 PolarHBondContact N-O 3.43Å; V223-Y330 HydrophobicContact CG2-CD1 3.34Å; V223-Y330 HydrophobicContact CG2-CE1 3.92Å; V223-Y330 HydrophobicContact CG2-CG 4.12Å; V223-Y330 CarbonylContact O-C 3.52Å; V223-Y330 WeakPolarHBondContact O-CA 3.4Å; V223-L331 PolarHBondContact O-N 3.44Å
224L92.7Very high91.3Very high3 Ų316.7 Ų16.72%0.01611%0.107CC..EExtended strand (participates in β ladder)trans-135.9153.4177.264.985.1000111.1L192 T226 P263 C264 F266 F326 L331L192-L224 HydrophobicContact CB-CD1 4.26Å; L192-L224 HydrophobicContact CD2-CD1 3.85Å; L192-L224 HydrophobicContact CD2-CD2 4.36Å; L224-T226 HydrophobicContact CD1-CG2 3.46Å; L224-T226 VanDerWaalsContact CD1-CG2 3.46Å; L224-P263 WeakPolarHBondContact O-CA 3.4Å; L224-C264 PolarHBondContact N-O 2.96Å; L224-C264 PolarHBondContact O-N 3.06Å; L224-C264 VanDerWaalsContact O-N 3.12Å; L224-F266 HydrophobicContact CD2-CB 3.88Å; L224-F266 HydrophobicContact CD2-CD2 4.01Å; L224-F266 HydrophobicContact CD2-CG 4.25Å; L224-F326 HydrophobicContact CD2-CD1 3.9Å; L224-F326 HydrophobicContact CD2-CE1 4.45Å; L224-L331 CarbonylContact C-O 3.59Å; L224-L331 VanDerWaalsContact CA-O 3.31Å; L224-L331 WeakPolarHBondContact CA-O 3.32Å; L224-L331 HydrophobicContact CB-CB 4.05Å
225E92.2Very high91.6Very high5 Ų514.3 Ų14.32%0.02310%0.097CC..  trans-91.6131.5173.4-166.1173.7-167.200110T191 N258 C260 T261 L331 V333T191-E225 WeakPolarHBondContact CB-O 3.29Å; T191-E225 HydrophobicContact CG2-CB 4.39Å; T191-E225 PolarHBondContact OG1-O 3.16Å; E225-N258 VanDerWaalsContact CD-CB 3.46Å; E225-N258 VanDerWaalsContact CD-ND2 3.31Å; E225-N258 HydrophobicContact CG-CB 4.39Å; E225-N258 VanDerWaalsContact OE1-CB 3.27Å; E225-N258 WeakPolarHBondContact OE1-CB 3.45Å; E225-N258 PolarHBondContact OE1-ND2 3.03Å; E225-N258 WeakPolarHBondContact OE2-CB 3.27Å; E225-N258 PolarHBondContact OE2-ND2 3.34Å; E225-C260 PolarHBondContact OE1-N 3.06Å; E225-T261 WeakPolarHBondContact CG-OG1 3.27Å; E225-L331 PolarHBondContact N-O 3.47Å; E225-V333 PolarHBondContact OE2-N 3.48Å
226T93.5Very high91.8Very high11 Ų1114 Ų147%0.06710%0.095CC..EExtended strand (participates in β ladder)trans-108.2149.9174.458.40000110.5L192 L224 T261 F269L192-T226 HydrophobicContact CB-CG2 4.4Å; L192-T226 HydrophobicContact CD2-CG2 4.26Å; L192-T226 VanDerWaalsContact O-CA 3.24Å; L192-T226 WeakPolarHBondContact O-CA 3.42Å; L224-T226 HydrophobicContact CD1-CG2 3.46Å; L224-T226 VanDerWaalsContact CD1-CG2 3.46Å; T226-T261 PolarHBondContact O-OG1 3.26Å; T226-F269 HydrophobicContact CG2-CD1 4.25Å; T226-F269 HydrophobicContact CG2-CD2 3.93Å; T226-F269 HydrophobicContact CG2-CE1 4.19Å; T226-F269 HydrophobicContact CG2-CE2 3.85Å; T226-F269 HydrophobicContact CG2-CG 4.14Å; T226-F269 HydrophobicContact CG2-CZ 4.01Å; T226-F269 WeakPolarHBondContact OG1-CE2 3.47Å
227T95.2Very high92.3Very high0 Ų013 Ų130%09%0.088CC..EExtended strand (participates in β ladder)trans-129134.8-179.3-55.60000110T191 L192 M193 Y194 A229 V232 C257 E259T191-T227 PolarHBondContact OG1-N 2.92Å; T191-T227 PolarHBondContact OG1-OG1 3.49Å; L192-T227 PolarHBondContact O-N 3.11Å; M193-T227 CarbonylContact C-O 3.52Å; M193-T227 WeakPolarHBondContact CA-O 3.41Å; Y194-T227 WeakPolarHBondContact CD1-O 3.27Å; Y194-T227 VanDerWaalsContact CE1-C 3.45Å; Y194-T227 PolarHBondContact N-O 3.2Å; T227-A229 PolarHBondContact O-N 3.17Å; T227-V232 HydrophobicContact CG2-CG2 3.51Å; T227-C257 PolarHBondContact OG1-O 2.76Å; T227-E259 HydrophobicContact CG2-CG 4.07Å
228Y96.8Very high92.7Very high0 Ų013 Ų130%09%0.09CC..EExtended strand (participates in β ladder)trans-69130.1175.3179.3-119.1000110.8H20 R23 Y194 E196 G230 N231 V232 E259 Y348 T353H20-Y228 AromaticContact CE1-CZ 3.8Å; H20-Y228 PolarHBondContact CE1-OH 3.33Å; R23-Y228 PolarHBondContact NH1-OH 2.99Å; R23-Y228 VanDerWaalsContact NH1-OH 3.11Å; R23-Y228 PolarHBondContact NH2-OH 2.82Å; Y194-Y228 HydrophobicContact CD2-CD2 4.41Å; Y194-Y228 HydrophobicContact CE2-CD2 4.09Å; Y194-Y228 CarbonylContact O-C 3.56Å; Y194-Y228 WeakPolarHBondContact O-CA 3.32Å; Y194-Y228 WeakPolarHBondContact O-CD2 3.16Å; E196-Y228 PolarHBondContact OE1-OH 3.36Å; E196-Y228 WeakPolarHBondContact OE2-CE2 3.5Å; E196-Y228 VanDerWaalsContact OE2-CZ 3.25Å; E196-Y228 PolarHBondContact OE2-OH 2.79Å; Y228-G230 PolarHBondContact O-N 2.82Å; Y228-G230 VanDerWaalsContact O-N 3.15Å; Y228-N231 WeakPolarHBondContact O-CA 2.86Å; Y228-N231 WeakPolarHBondContact O-CB 3.19Å; Y228-N231 PolarHBondContact O-N 2.95Å; Y228-V232 PolarHBondContact O-N 3.49Å; Y228-V232 VanDerWaalsContact O-N 3.09Å; Y228-E259 WeakPolarHBondContact CA-OE1 3.5Å; Y228-E259 WeakPolarHBondContact CB-OE1 3.24Å; Y228-E259 VanDerWaalsContact N-CD 3.3Å; Y228-E259 PolarHBondContact N-OE1 3.47Å; Y228-E259 PolarHBondContact N-OE2 3.12Å; Y228-Y348 AromaticContact CD1-CD2 3.76Å; Y228-Y348 HydrophobicContact CD1-CD2 3.76Å; Y228-Y348 HydrophobicContact CD1-CG 4.04Å; Y228-Y348 HydrophobicContact CE1-CD1 4.44Å; Y228-Y348 AromaticContact CE1-CD2 3.58Å; Y228-Y348 HydrophobicContact CE1-CD2 3.58Å; Y228-Y348 HydrophobicContact CE1-CE2 4.06Å; Y228-Y348 AromaticContact CE1-CG 3.8Å; Y228-Y348 HydrophobicContact CE1-CG 3.8Å; Y228-T353 HydrophobicContact CD1-CG2 3.35Å; Y228-T353 HydrophobicContact CD2-CG2 3.82Å; Y228-T353 HydrophobicContact CE1-CG2 3.7Å; Y228-T353 HydrophobicContact CE2-CG2 4.13Å; Y228-T353 HydrophobicContact CG-CG2 3.42Å; Y228-T353 VanDerWaalsContact CG-CG2 3.42Å
229A97.4Very high93.5Very high0 Ų012.6 Ų12.60%09%0.087CC..Hα-helixtrans-60.1-29.7-17700000113.2F16 H20 Y194 T227 N231 V232 A233F16-A229 HydrophobicContact CE1-CB 3.73Å; F16-A229 HydrophobicContact CE2-CB 3.72Å; F16-A229 HydrophobicContact CZ-CB 3.26Å; H20-A229 HydrophobicContact CB-CB 4.39Å; H20-A229 VanDerWaalsContact CD2-CB 3.41Å; H20-A229 WeakPolarHBondContact CD2-CB 3.45Å; Y194-A229 PolarHBondContact O-N 3.04Å; T227-A229 PolarHBondContact O-N 3.17Å; A229-N231 VanDerWaalsContact C-N 3.34Å; A229-N231 PolarHBondContact O-N 3.48Å; A229-V232 PolarHBondContact O-N 2.95Å; A229-A233 WeakPolarHBondContact O-CB 3.41Å; A229-A233 PolarHBondContact O-N 3.04Å
230G97.5Very high94.6Very high0 Ų010.5 Ų10.50%07%0.07CC..Hα-helixtrans-65.4-34.3172.100000113.8H20 Y228 Y234H20-G230 PolarHBondContact ND1-N 3.02Å; Y228-G230 PolarHBondContact O-N 2.82Å; Y228-G230 VanDerWaalsContact O-N 3.15Å; G230-Y234 WeakPolarHBondContact O-CB 3.45Å; G230-Y234 PolarHBondContact O-N 3.13Å
231N97.5Very high95.6Very high0 Ų011.5 Ų11.50%07%0.072CC..Hα-helixtrans-76.2-31.5175.2-81.4-33.9000112.1Y228 A229 M235 E259 K347 Y348Y228-N231 WeakPolarHBondContact O-CA 2.86Å; Y228-N231 WeakPolarHBondContact O-CB 3.19Å; Y228-N231 PolarHBondContact O-N 2.95Å; A229-N231 VanDerWaalsContact C-N 3.34Å; A229-N231 PolarHBondContact O-N 3.48Å; N231-M235 PolarHBondContact O-N 3.49Å; N231-E259 HydrophobicContact CB-CG 4.34Å; N231-E259 WeakPolarHBondContact CB-OE1 3.28Å; N231-E259 VanDerWaalsContact CG-OE1 3.29Å; N231-E259 VanDerWaalsContact ND2-CD 3.3Å; N231-E259 PolarHBondContact ND2-OE1 2.97Å; N231-K347 PolarHBondContact OD1-N 3.44Å; N231-Y348 PolarHBondContact ND2-O 2.93Å; N231-Y348 WeakPolarHBondContact OD1-CD2 3.42Å; N231-Y348 PolarHBondContact OD1-N 2.87Å
232V97.9Very high96.3Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-63.7-48.9169.1-178.70000110.1L17 P190 M193 T227 Y228 A229 Y234 M235 H236L17-V232 HydrophobicContact CD1-CB 3.92Å; L17-V232 HydrophobicContact CD1-CG1 3.71Å; L17-V232 HydrophobicContact CD2-CG1 4.15Å; P190-V232 HydrophobicContact CB-CG1 3.86Å; P190-V232 HydrophobicContact CB-CG2 3.77Å; P190-V232 HydrophobicContact CG-CG1 4.18Å; M193-V232 HydrophobicContact CG-CG2 4.05Å; M193-V232 HydrophobicContact SD-CB 4.24Å; M193-V232 HydrophobicContact SD-CG1 4.03Å; M193-V232 HydrophobicContact SD-CG2 3.97Å; T227-V232 HydrophobicContact CG2-CG2 3.51Å; Y228-V232 PolarHBondContact O-N 3.49Å; Y228-V232 VanDerWaalsContact O-N 3.09Å; A229-V232 PolarHBondContact O-N 2.95Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 3.37Å; V232-M235 WeakPolarHBondContact O-CB 3.5Å; V232-M235 PolarHBondContact O-N 2.83Å; V232-M235 VanDerWaalsContact O-N 3.17Å; V232-H236 PolarHBondContact O-N 3.04Å; V232-H236 PolarHBondContact O-ND1 3.07Å
233A98.4Very high96.7Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-58.1-43.517500000112.3L17 H20 L21 E24 A229 M235 H236 L237L17-A233 HydrophobicContact CD1-CB 4.34Å; H20-A233 HydrophobicContact CB-CB 3.86Å; L21-A233 HydrophobicContact CB-CB 4.21Å; L21-A233 HydrophobicContact CD1-CB 4.33Å; E24-A233 HydrophobicContact CG-CB 3.73Å; A229-A233 WeakPolarHBondContact O-CB 3.41Å; A229-A233 PolarHBondContact O-N 3.04Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-M235 PolarHBondContact O-N 3.2Å; A233-H236 WeakPolarHBondContact O-CB 3.4Å; A233-H236 PolarHBondContact O-N 2.68Å; A233-H236 VanDerWaalsContact O-N 3.1Å; A233-L237 PolarHBondContact O-N 3.12Å
234Y98Very high96.9Very high56 Ų5612.5 Ų12.522%0.226%0.059CC..Hα-helixtrans-60.4-42.4174.8178-119.1000112L28 G230 V232 H236 L237 L238 Y344 K345 K347L28-Y234 HydrophobicContact CD1-CD2 3.7Å; L28-Y234 HydrophobicContact CD1-CE2 3.85Å; G230-Y234 WeakPolarHBondContact O-CB 3.45Å; G230-Y234 PolarHBondContact O-N 3.13Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 3.37Å; Y234-H236 VanDerWaalsContact C-N 3.28Å; Y234-H236 PolarHBondContact O-N 2.67Å; Y234-L237 PolarHBondContact O-N 2.93Å; Y234-L237 VanDerWaalsContact O-N 3.13Å; Y234-L238 HydrophobicContact CD1-CD1 4.32Å; Y234-L238 HydrophobicContact CE1-CD1 3.78Å; Y234-L238 HydrophobicContact CE1-CG 4.26Å; Y234-L238 HydrophobicContact CE2-CD2 4.16Å; Y234-L238 HydrophobicContact CE2-CG 4.33Å; Y234-L238 PolarHBondContact O-N 3.38Å; Y234-L238 VanDerWaalsContact O-N 3.13Å; Y234-Y344 HydrophobicContact CD1-CD2 4.43Å; Y234-Y344 HydrophobicContact CD1-CE2 4.16Å; Y234-K345 WeakPolarHBondContact CE1-O 3.35Å; Y234-K347 HydrophobicContact CD1-CB 3.74Å; Y234-K347 HydrophobicContact CD2-CB 4.44Å; Y234-K347 HydrophobicContact CD2-CD 4.19Å; Y234-K347 HydrophobicContact CE1-CB 4.03Å; Y234-K347 HydrophobicContact CG-CB 3.96Å; Y234-K347 HydrophobicContact CG-CD 4.39Å
235M98.2Very high97.1Very high0 Ų018.5 Ų18.50%09%0.09CC..Hα-helixtrans-61.5-35.4174.4-171.9179.9-74.200112.3I188 N231 V232 A233 L237 L238 A239 V255 C257 A338 L342 Y344I188-M235 HydrophobicContact CD1-CB 4.41Å; I188-M235 HydrophobicContact CD1-CG 4.01Å; I188-M235 HydrophobicContact CG1-CG 4.44Å; I188-M235 HydrophobicContact CG1-SD 4.38Å; I188-M235 HydrophobicContact CG2-CG 4.43Å; I188-M235 HydrophobicContact CG2-SD 3.76Å; N231-M235 PolarHBondContact O-N 3.49Å; V232-M235 WeakPolarHBondContact O-CB 3.5Å; V232-M235 PolarHBondContact O-N 2.83Å; V232-M235 VanDerWaalsContact O-N 3.17Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-M235 PolarHBondContact O-N 3.2Å; M235-L237 VanDerWaalsContact C-N 3.28Å; M235-L237 PolarHBondContact O-N 3.05Å; M235-L238 PolarHBondContact O-N 3.36Å; M235-A239 WeakPolarHBondContact O-CB 3.31Å; M235-A239 PolarHBondContact O-N 3.4Å; M235-V255 HydrophobicContact SD-CG2 4.17Å; M235-C257 HydrophobicContact CE-CB 3.72Å; M235-C257 VanDerWaalsContact CE-SG 3.53Å; M235-C257 HydrophobicContact SD-CB 3.49Å; M235-C257 WeakPolarHBondContact SD-CB 2.84Å; M235-A338 HydrophobicContact CE-CB 3.57Å; M235-A338 HydrophobicContact SD-CB 4.14Å; M235-L342 HydrophobicContact CG-CD1 3.89Å; M235-L342 HydrophobicContact SD-CD1 4.4Å; M235-Y344 HydrophobicContact CB-CD2 3.89Å; M235-Y344 HydrophobicContact CB-CE2 3.69Å; M235-Y344 HydrophobicContact CE-CD1 3.23Å; M235-Y344 HydrophobicContact CE-CD2 3.51Å; M235-Y344 HydrophobicContact CE-CE1 3.31Å; M235-Y344 HydrophobicContact CE-CE2 3.58Å; M235-Y344 HydrophobicContact CE-CG 3.32Å; M235-Y344 VanDerWaalsContact CE-CZ 3.46Å; M235-Y344 HydrophobicContact CG-CD2 4.02Å; M235-Y344 HydrophobicContact CG-CE2 4.24Å
236H98.6Very high97.3Very high1 Ų121.7 Ų21.71%0.00511%0.105CC..Hα-helixtrans-59.7-40.7174.9-75.263.8000111.3L21 F80 I122 T124 I188 V232 A233 Y234 A239 A240L21-H236 HydrophobicContact CD1-CB 3.79Å; F80-H236 HydrophobicContact CD1-CB 3.97Å; F80-H236 HydrophobicContact CE1-CB 3.9Å; I122-H236 HydrophobicContact CG2-CB 4.22Å; I122-H236 VanDerWaalsContact CG2-CD2 3.46Å; I122-H236 WeakPolarHBondContact CG2-CD2 3.38Å; T124-H236 PolarHBondContact OG1-NE2 3.38Å; I188-H236 VanDerWaalsContact CD1-CA 3.41Å; I188-H236 HydrophobicContact CD1-CB 4.05Å; I188-H236 WeakPolarHBondContact CD1-ND1 3.36Å; V232-H236 PolarHBondContact O-N 3.04Å; V232-H236 PolarHBondContact O-ND1 3.07Å; A233-H236 WeakPolarHBondContact O-CB 3.4Å; A233-H236 PolarHBondContact O-N 2.68Å; A233-H236 VanDerWaalsContact O-N 3.1Å; Y234-H236 VanDerWaalsContact C-N 3.28Å; Y234-H236 PolarHBondContact O-N 2.67Å; H236-A239 PolarHBondContact O-N 3.46Å; H236-A240 WeakPolarHBondContact O-CB 3.25Å; H236-A240 PolarHBondContact O-N 3.49Å
237L98.4Very high97.3Very high2 Ų222.9 Ų22.91%0.0111%0.113CC..Hα-helixtrans-68-41.9177.8-56.6-158.7000112L21 E24 I25 L28 W29 F80 A233 Y234 M235 A239 A240 D241L21-L237 HydrophobicContact CD1-CD2 3.53Å; L21-L237 HydrophobicContact CD1-CG 4.32Å; E24-L237 HydrophobicContact CB-CD1 3.75Å; E24-L237 HydrophobicContact CB-CG 4.34Å; I25-L237 HydrophobicContact CD1-CD2 4.3Å; I25-L237 HydrophobicContact CG1-CD1 4.09Å; I25-L237 HydrophobicContact CG1-CD2 3.65Å; L28-L237 HydrophobicContact CB-CD1 4.46Å; L28-L237 HydrophobicContact CD1-CD1 4.47Å; W29-L237 HydrophobicContact CD2-CD1 4.03Å; W29-L237 HydrophobicContact CD2-CD2 4.28Å; W29-L237 HydrophobicContact CE3-CD2 4.17Å; W29-L237 HydrophobicContact CG-CD1 4.2Å; W29-L237 HydrophobicContact CH2-CD2 3.96Å; W29-L237 HydrophobicContact CZ2-CB 3.77Å; W29-L237 HydrophobicContact CZ2-CD2 4Å; W29-L237 HydrophobicContact CZ2-CG 4.3Å; W29-L237 WeakPolarHBondContact CZ2-O 3.28Å; W29-L237 HydrophobicContact CZ3-CD2 4.02Å; F80-L237 HydrophobicContact CE1-CD2 4.13Å; F80-L237 HydrophobicContact CZ-CD2 3.87Å; A233-L237 PolarHBondContact O-N 3.12Å; Y234-L237 PolarHBondContact O-N 2.93Å; Y234-L237 VanDerWaalsContact O-N 3.13Å; M235-L237 VanDerWaalsContact C-N 3.28Å; M235-L237 PolarHBondContact O-N 3.05Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 2.94Å; L237-A240 PolarHBondContact O-N 3.35Å; L237-D241 PolarHBondContact O-N 3.45Å
238L98.2Very high97.1Very high30 Ų3028.8 Ų28.816%0.15715%0.145CC..Hα-helixtrans-62.1-41.2174.7-62.4-175.8000112.1Y234 M235 A240 D241 M242 L342 Y344Y234-L238 HydrophobicContact CD1-CD1 4.32Å; Y234-L238 HydrophobicContact CE1-CD1 3.78Å; Y234-L238 HydrophobicContact CE1-CG 4.26Å; Y234-L238 HydrophobicContact CE2-CD2 4.16Å; Y234-L238 HydrophobicContact CE2-CG 4.33Å; Y234-L238 PolarHBondContact O-N 3.38Å; Y234-L238 VanDerWaalsContact O-N 3.13Å; M235-L238 PolarHBondContact O-N 3.36Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-D241 PolarHBondContact O-N 2.91Å; L238-M242 VanDerWaalsContact O-CB 3.31Å; L238-M242 WeakPolarHBondContact O-CB 3.43Å; L238-M242 PolarHBondContact O-N 3.23Å; L238-L342 HydrophobicContact CB-CB 4.25Å; L238-Y344 HydrophobicContact CD1-CD2 3.9Å
239A98.4Very high96.9Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-62.5-41.8175.400000111.7I122 I186 I188 M235 H236 L237 M242 L243 L342I122-A239 HydrophobicContact CD1-CB 3.98Å; I122-A239 HydrophobicContact CG2-CB 4.42Å; I186-A239 HydrophobicContact CB-CB 4.34Å; I186-A239 HydrophobicContact CD1-CB 4.21Å; I186-A239 WeakPolarHBondContact CD1-O 3.21Å; I186-A239 HydrophobicContact CG2-CB 3.99Å; I188-A239 HydrophobicContact CD1-CB 3.79Å; I188-A239 HydrophobicContact CG1-CB 4.38Å; M235-A239 WeakPolarHBondContact O-CB 3.31Å; M235-A239 PolarHBondContact O-N 3.4Å; H236-A239 PolarHBondContact O-N 3.46Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 2.94Å; A239-M242 PolarHBondContact O-N 3.09Å; A239-L243 WeakPolarHBondContact O-CB 3.41Å; A239-L243 PolarHBondContact O-N 2.81Å; A239-L342 HydrophobicContact CB-CD1 3.95Å; A239-L342 HydrophobicContact CB-CD2 4.3Å
240A98.3Very high96.8Very high0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-64.5-47.917600000112.9W29 I78 F80 I122 H236 L237 L238 M242 L243 K244W29-A240 HydrophobicContact CH2-CB 3.47Å; W29-A240 VanDerWaalsContact CH2-CB 3.47Å; W29-A240 HydrophobicContact CZ2-CB 3.94Å; I78-A240 HydrophobicContact CD1-CB 3.46Å; I78-A240 VanDerWaalsContact CD1-CB 3.46Å; F80-A240 HydrophobicContact CE1-CB 3.96Å; F80-A240 HydrophobicContact CZ-CB 3.73Å; I122-A240 HydrophobicContact CD1-CB 4.26Å; I122-A240 HydrophobicContact CG1-CB 3.96Å; H236-A240 WeakPolarHBondContact O-CB 3.25Å; H236-A240 PolarHBondContact O-N 3.49Å; L237-A240 PolarHBondContact O-N 3.35Å; L238-A240 VanDerWaalsContact C-N 3.34Å; A240-M242 VanDerWaalsContact C-N 3.31Å; A240-M242 PolarHBondContact O-N 3.13Å; A240-L243 PolarHBondContact O-N 3.28Å; A240-K244 VanDerWaalsContact O-CG 3.3Å; A240-K244 WeakPolarHBondContact O-CG 3.35Å; A240-K244 PolarHBondContact O-N 3Å
241D97.6Very high96.6Very high44 Ų4436.7 Ų36.724%0.23518%0.182CC..Hα-helixtrans-58.3-45.4175.8-83.8-35.7000110.4W29 K32 L237 L238 K244 L245W29-D241 PolarHBondContact NE1-OD2 3.33Å; K32-D241 IonicContact NZ-OD1 2.79Å; K32-D241 PolarHBondContact NZ-OD1 3.06Å; K32-D241 IonicContact NZ-OD2 2.78Å; K32-D241 PolarHBondContact NZ-OD2 2.72Å; L237-D241 PolarHBondContact O-N 3.45Å; L238-D241 PolarHBondContact O-N 2.91Å; D241-K244 PolarHBondContact O-N 2.99Å; D241-L245 VanDerWaalsContact O-CG 3.28Å; D241-L245 WeakPolarHBondContact O-CG 3.5Å; D241-L245 PolarHBondContact O-N 2.99Å; D241-L245 VanDerWaalsContact O-N 3.11Å
242M97.6Very high96.5Very high43 Ų4337.4 Ų37.421%0.21219%0.19CC..Hα-helixtrans-66.3-42.4179.5-169.862.5-170.500112.8L238 A239 A240 K244 L245 H246 L341 L342L238-M242 VanDerWaalsContact O-CB 3.31Å; L238-M242 WeakPolarHBondContact O-CB 3.43Å; L238-M242 PolarHBondContact O-N 3.23Å; A239-M242 PolarHBondContact O-N 3.09Å; A240-M242 VanDerWaalsContact C-N 3.31Å; A240-M242 PolarHBondContact O-N 3.13Å; M242-K244 VanDerWaalsContact C-N 3.31Å; M242-K244 PolarHBondContact O-N 2.86Å; M242-L245 PolarHBondContact O-N 3.42Å; M242-H246 HydrophobicContact CE-CB 4.16Å; M242-H246 VanDerWaalsContact CE-CD2 3.43Å; M242-H246 WeakPolarHBondContact CE-CD2 3.39Å; M242-H246 PolarHBondContact O-N 3.19Å; M242-L341 HydrophobicContact CE-CD1 4.39Å; M242-L342 HydrophobicContact CB-CD2 3.74Å; M242-L342 HydrophobicContact CG-CD2 3.97Å
243L96.7Very high96.3Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-63.3-36.8177.9-175.959.5000111.9Y120 I122 K184 I186 A239 A240 P247 C250Y120-L243 HydrophobicContact CD1-CD2 4.15Å; Y120-L243 HydrophobicContact CD1-CG 3.92Å; I122-L243 HydrophobicContact CD1-CB 4.47Å; I122-L243 HydrophobicContact CD1-CD2 3.77Å; K184-L243 HydrophobicContact CB-CD1 3.84Å; K184-L243 HydrophobicContact CB-CG 4.36Å; K184-L243 WeakPolarHBondContact O-CD2 3.48Å; I186-L243 HydrophobicContact CD1-CB 3.86Å; I186-L243 HydrophobicContact CD1-CD1 4.35Å; I186-L243 HydrophobicContact CG1-CB 4.21Å; I186-L243 HydrophobicContact CG1-CD1 3.99Å; I186-L243 HydrophobicContact CG1-CD2 4.32Å; I186-L243 HydrophobicContact CG1-CG 4.4Å; A239-L243 WeakPolarHBondContact O-CB 3.41Å; A239-L243 PolarHBondContact O-N 2.81Å; A240-L243 PolarHBondContact O-N 3.28Å; L243-P247 WeakPolarHBondContact O-CA 3.47Å; L243-P247 WeakPolarHBondContact O-CB 3.43Å; L243-C250 HydrophobicContact CD1-CB 3.94Å
244K96Very high96.2Very high68 Ų6841 Ų4130%0.29621%0.208SC..Hα-helixtrans-70.5-35.2175.8-70.3178.376.1-175.90112.4D6 Y120 A240 D241 M242D6-K244 IonicContact OD1-NZ 3.73Å; D6-K244 PolarHBondContact OD1-NZ 2.96Å; D6-K244 IonicContact OD2-NZ 2.93Å; D6-K244 PolarHBondContact OD2-NZ 3.5Å; Y120-K244 HydrophobicContact CD2-CD 4.44Å; Y120-K244 HydrophobicContact CD2-CG 3.74Å; Y120-K244 HydrophobicContact CE2-CG 3.74Å; Y120-K244 HydrophobicContact CG-CG 4.24Å; A240-K244 VanDerWaalsContact O-CG 3.3Å; A240-K244 WeakPolarHBondContact O-CG 3.35Å; A240-K244 PolarHBondContact O-N 3Å; D241-K244 PolarHBondContact O-N 2.99Å; M242-K244 VanDerWaalsContact C-N 3.31Å; M242-K244 PolarHBondContact O-N 2.86Å
245L96.4Very high96.1Very high128 Ų12838.4 Ų38.467%0.6720%0.197SC*.Hα-helixtrans-74.2-41.8178.8-71.3170.3000112.3D241 M242 P247D241-L245 VanDerWaalsContact O-CG 3.28Å; D241-L245 WeakPolarHBondContact O-CG 3.5Å; D241-L245 PolarHBondContact O-N 2.99Å; D241-L245 VanDerWaalsContact O-N 3.11Å; M242-L245 PolarHBondContact O-N 3.42Å; L245-P247 VanDerWaalsContact C-CD 3.49Å
246H96.1Very high96Very high72 Ų7238.4 Ų38.433%0.33320%0.197SC..SBendtrans-129.863.5-174.4-63.5-84.2000111.8M242 D248 E249 C250M242-H246 HydrophobicContact CE-CB 4.16Å; M242-H246 VanDerWaalsContact CE-CD2 3.43Å; M242-H246 WeakPolarHBondContact CE-CD2 3.39Å; M242-H246 PolarHBondContact O-N 3.19Å; H246-D248 PolarHBondContact O-N 2.87Å; H246-E249 HydrophobicContact CB-CB 4.2Å; H246-E249 IonicContact CE1-OE1 3.93Å; H246-E249 IonicContact CG-OE1 2.83Å; H246-E249 IonicContact ND1-OE1 3.22Å; H246-E249 PolarHBondContact ND1-OE1 3.1Å; H246-E249 PolarHBondContact O-N 3.47Å; H246-C250 WeakPolarHBondContact O-CB 3.3Å; H246-C250 PolarHBondContact O-N 3.24Å; H246-C250 PolarHBondContact O-SG 3.07Å; H246-C250 VanDerWaalsContact O-SG 3.41Å
247P93.5Very high95.8Very high36 Ų3638.3 Ų38.323%0.23420%0.197CC..Hα-helixtrans-62.3-37.8-168.823.4-35000114.1Y120 K184 L243 L245 N251Y120-P247 HydrophobicContact CE1-CB 4.06Å; K184-P247 HydrophobicContact CG-CB 4.17Å; L243-P247 WeakPolarHBondContact O-CA 3.47Å; L243-P247 WeakPolarHBondContact O-CB 3.43Å; L245-P247 VanDerWaalsContact C-CD 3.49Å; P247-N251 WeakPolarHBondContact O-CB 3.3Å; P247-N251 PolarHBondContact O-N 3.23Å
248D91.9Very high95.4Very high124 Ų12438.4 Ų38.466%0.66320%0.198SC*.Hα-helixtrans-79.1-33.8-178.8-68-40.4000112.9K184 H246K184-D248 IonicContact NZ-OD1 3.24Å; K184-D248 PolarHBondContact NZ-OD1 2.92Å; H246-D248 PolarHBondContact O-N 2.87Å
249E92.8Very high94.8Very high138 Ų13837.5 Ų37.565%0.64519%0.193SC*.Hα-helixtrans-75.7-36.4179.9-59.6174.5-114.400111.7H246H246-E249 HydrophobicContact CB-CB 4.2Å; H246-E249 IonicContact CE1-OE1 3.93Å; H246-E249 IonicContact CG-OE1 2.83Å; H246-E249 IonicContact ND1-OE1 3.22Å; H246-E249 PolarHBondContact ND1-OE1 3.1Å; H246-E249 PolarHBondContact O-N 3.47Å
250C94.1Very high93.7Very high1 Ų141.3 Ų41.31%0.00722%0.218CC..Hα-helixtrans-89.7-8.5-177-61.60000113.8I186 L243 H246 G252 E253I186-C250 HydrophobicContact CD1-CB 3.82Å; I186-C250 HydrophobicContact CG1-CB 4.19Å; L243-C250 HydrophobicContact CD1-CB 3.94Å; H246-C250 WeakPolarHBondContact O-CB 3.3Å; H246-C250 PolarHBondContact O-N 3.24Å; H246-C250 PolarHBondContact O-SG 3.07Å; H246-C250 VanDerWaalsContact O-SG 3.41Å; C250-G252 PolarHBondContact O-N 2.82Å; C250-E253 VanDerWaalsContact O-CB 3.29Å; C250-E253 WeakPolarHBondContact O-CB 3.44Å; C250-E253 WeakPolarHBondContact O-CG 3.33Å; C250-E253 PolarHBondContact O-N 3.37Å
251N94.5Very high92.7Very high27 Ų2742.6 Ų42.614%0.14423%0.226CC..THydrogen-bonded Turntrans-64.2123.8-175.2-17531.7000112.4N173 K184 V185 P247 E253N173-N251 PolarHBondContact O-ND2 3.19Å; K184-N251 WeakPolarHBondContact CA-OD1 3.21Å; K184-N251 HydrophobicContact CD-CB 3.88Å; V185-N251 PolarHBondContact N-OD1 3.05Å; P247-N251 WeakPolarHBondContact O-CB 3.3Å; P247-N251 PolarHBondContact O-N 3.23Å; N251-E253 VanDerWaalsContact C-N 3.27Å
252G94.1Very high92.1Very high15 Ų1546.6 Ų46.616%0.15525%0.252CS..THydrogen-bonded Turntrans79.69.9-178.700000113.1C170 V185 C250C170-G252 WeakPolarHBondContact CB-O 3.12Å; V185-G252 PolarHBondContact O-N 2.95Å; C250-G252 PolarHBondContact O-N 2.82Å
253E95Very high91.7Very high62 Ų6246.3 Ų46.329%0.2925%0.254SS..EExtended strand (participates in β ladder)trans-69.9135.7174.7-70.4-63.917000111I186 A187 C250 N251 K337 L341I186-E253 CarbonylContact C-O 3.5Å; I186-E253 WeakPolarHBondContact CA-O 3.25Å; A187-E253 PolarHBondContact N-O 2.85Å; C250-E253 VanDerWaalsContact O-CB 3.29Å; C250-E253 WeakPolarHBondContact O-CB 3.44Å; C250-E253 WeakPolarHBondContact O-CG 3.33Å; C250-E253 PolarHBondContact O-N 3.37Å; N251-E253 VanDerWaalsContact C-N 3.27Å; E253-K337 WeakPolarHBondContact OE2-CE 3.31Å; E253-K337 IonicContact OE2-NZ 2.69Å; E253-K337 PolarHBondContact OE2-NZ 3.47Å; E253-L341 HydrophobicContact CB-CD2 3.86Å; E253-L341 HydrophobicContact CG-CD2 3.96Å
254V95.5Very high91.4Very high15 Ų1548.3 Ų48.39%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-115.7128.9176.3-175.70000108.4E141 E166 C170 A187 R189 K337E141-V254 HydrophobicContact CG-CG1 4.42Å; E141-V254 WeakPolarHBondContact CG-O 3.46Å; E166-V254 HydrophobicContact CG-CG2 4.14Å; E166-V254 WeakPolarHBondContact OE2-CG1 3.42Å; C170-V254 HydrophobicContact CB-CG2 3.81Å; A187-V254 HydrophobicContact CB-CG1 4.29Å; A187-V254 HydrophobicContact CB-CG2 4.18Å; A187-V254 CarbonylContact O-C 3.53Å; A187-V254 WeakPolarHBondContact O-CA 3.32Å; R189-V254 HydrophobicContact CG-CG1 3.97Å; R189-V254 VanDerWaalsContact NE-CG1 3.26Å; V254-K337 WeakPolarHBondContact O-CD 3.27Å; V254-K337 VanDerWaalsContact O-CE 3.31Å; V254-K337 WeakPolarHBondContact O-CE 3.35Å; V254-K337 PolarHBondContact O-NZ 3.47Å
255V96.3Very high91.2Very high0 Ų046.4 Ų46.40%026%0.26CS..EExtended strand (participates in β ladder)trans-129.2136.9-179.9-69.40000111.9E141 I186 A187 I188 R189 M235 K337 A338 L341 L342E141-V255 WeakPolarHBondContact OE1-CA 3.38Å; I186-V255 HydrophobicContact CG2-CG2 4.29Å; A187-V255 PolarHBondContact O-N 2.85Å; I188-V255 CarbonylContact C-O 3.59Å; I188-V255 WeakPolarHBondContact CA-O 3.41Å; I188-V255 HydrophobicContact CG1-CG2 3.9Å; R189-V255 PolarHBondContact N-O 3.09Å; M235-V255 HydrophobicContact SD-CG2 4.17Å; V255-K337 HydrophobicContact CG1-CB 4.46Å; V255-K337 HydrophobicContact CG1-CD 4.07Å; V255-K337 HydrophobicContact CG1-CG 4.01Å; V255-A338 HydrophobicContact CB-CB 4.11Å; V255-A338 HydrophobicContact CG1-CB 4.46Å; V255-L341 HydrophobicContact CG1-CD2 4.14Å; V255-L342 HydrophobicContact CG2-CD1 3.94Å
256N96.2Very high91Very high0 Ų040.8 Ų40.80%023%0.23CC..EExtended strand (participates in β ladder)trans-78.4137.3170.3-67.7-32.4000110.8E141 R189 V333 N334E141-N256 HydrophobicContact CG-CB 4.46Å; E141-N256 PolarHBondContact OE1-N 3.11Å; R189-N256 WeakPolarHBondContact CD-OD1 3.16Å; N256-V333 HydrophobicContact CB-CB 4.25Å; N256-V333 HydrophobicContact CB-CG2 3.89Å; N256-N334 WeakPolarHBondContact CB-O 3.44Å; N256-N334 PolarHBondContact ND2-O 3.45Å
257C95.1Very high90.8Very high0 Ų038.1 Ų38.10%022%0.217CC..EExtended strand (participates in β ladder)trans-108.6113.8175.3-175.20000110.3I188 R189 P190 T191 T227 M235I188-C257 HydrophobicContact CG2-CB 3.76Å; R189-C257 PolarHBondContact O-N 2.95Å; P190-C257 HydrophobicContact CB-CB 4.45Å; T191-C257 PolarHBondContact N-O 2.88Å; T227-C257 PolarHBondContact OG1-O 2.76Å; M235-C257 HydrophobicContact CE-CB 3.72Å; M235-C257 VanDerWaalsContact CE-SG 3.53Å; M235-C257 HydrophobicContact SD-CB 3.49Å; M235-C257 WeakPolarHBondContact SD-CB 2.84Å
258N90.3Very high90.7Very high4 Ų440.8 Ų40.82%0.02123%0.233CC..  trans-144.9167.9171.180.83000111.7T191 E225 V333 S335 Y344T191-N258 HydrophobicContact CG2-CB 4.34Å; E225-N258 VanDerWaalsContact CD-CB 3.46Å; E225-N258 VanDerWaalsContact CD-ND2 3.31Å; E225-N258 HydrophobicContact CG-CB 4.39Å; E225-N258 VanDerWaalsContact OE1-CB 3.27Å; E225-N258 WeakPolarHBondContact OE1-CB 3.45Å; E225-N258 PolarHBondContact OE1-ND2 3.03Å; E225-N258 WeakPolarHBondContact OE2-CB 3.27Å; E225-N258 PolarHBondContact OE2-ND2 3.34Å; N258-V333 HydrophobicContact CB-CG2 4.28Å; N258-V333 PolarHBondContact ND2-O 2.88Å; N258-S335 WeakPolarHBondContact OD1-CB 3.16Å; N258-S335 PolarHBondContact OD1-OG 3.28Å; N258-Y344 WeakPolarHBondContact O-CE1 3.38Å
259E84.2Confident90.7Very high11 Ų1135.3 Ų35.35%0.05120%0.204CC..  trans-1036.4-175.7-77.9162.9-174.800114.1T227 Y228 N231 T261 P346T227-E259 HydrophobicContact CG2-CG 4.07Å; Y228-E259 WeakPolarHBondContact CA-OE1 3.5Å; Y228-E259 WeakPolarHBondContact CB-OE1 3.24Å; Y228-E259 VanDerWaalsContact N-CD 3.3Å; Y228-E259 PolarHBondContact N-OE1 3.47Å; Y228-E259 PolarHBondContact N-OE2 3.12Å; N231-E259 HydrophobicContact CB-CG 4.34Å; N231-E259 WeakPolarHBondContact CB-OE1 3.28Å; N231-E259 VanDerWaalsContact CG-OE1 3.29Å; N231-E259 VanDerWaalsContact ND2-CD 3.3Å; N231-E259 PolarHBondContact ND2-OE1 2.97Å; E259-T261 HydrophobicContact CB-CG2 3.8Å; E259-T261 PolarHBondContact O-N 3.21Å; E259-P346 HydrophobicContact CB-CG 4.17Å; E259-P346 HydrophobicContact CG-CB 4.09Å; E259-P346 HydrophobicContact CG-CG 3.9Å
260C75.9Confident90.8Very high80 Ų8028.8 Ų28.854%0.54117%0.173SC..  trans52.533.5-166.2-71.30000112.3E225 R339E225-C260 PolarHBondContact OE1-N 3.06Å; C260-R339 PolarHBondContact SG-NH2 3.15Å
261T76.7Confident90.8Very high26 Ų2633.3 Ų33.316%0.1619%0.193CC..PPolyproline II helixtrans-72.2147.1171.9450000109E225 T226 E259 P263 P350E225-T261 WeakPolarHBondContact CG-OG1 3.27Å; T226-T261 PolarHBondContact O-OG1 3.26Å; E259-T261 HydrophobicContact CB-CG2 3.8Å; E259-T261 PolarHBondContact O-N 3.21Å; T261-P263 VanDerWaalsContact O-CD 3.24Å; T261-P263 WeakPolarHBondContact O-CD 3.5Å; T261-P350 HydrophobicContact CG2-CB 3.74Å; T261-P350 HydrophobicContact CG2-CG 3.41Å; T261-P350 VanDerWaalsContact CG2-CG 3.41Å
262T85.3Confident90.8Very high128 Ų12834 Ų3479%0.78520%0.199SC*.PPolyproline II helixtrans-64.7119.7172.9-57.60000108.4C264T262-C264 PolarHBondContact O-N 3.31Å
263P89.5Confident90.9Very high38 Ų3833.4 Ų33.425%0.24719%0.192CC..PPolyproline II helixtrans-56.3133.4176.3-24.334.9000109.7V223 L224 T261 Y332V223-P263 HydrophobicContact CB-CB 4.2Å; V223-P263 HydrophobicContact CG2-CB 4.1Å; L224-P263 WeakPolarHBondContact O-CA 3.4Å; T261-P263 VanDerWaalsContact O-CD 3.24Å; T261-P263 WeakPolarHBondContact O-CD 3.5Å; P263-Y332 HydrophobicContact CB-CD1 4.31Å; P263-Y332 HydrophobicContact CG-CD1 3.92Å; P263-Y332 HydrophobicContact CG-CD2 4.44Å; P263-Y332 HydrophobicContact CG-CG 3.74Å
264C90.6Very high90.9Very high41 Ų4130.5 Ų30.528%0.27718%0.179SC..BIsolated β-bridgetrans-129.9163.3-178.370.80000110.8V223 L224 T262 F266V223-C264 WeakPolarHBondContact CA-O 3.39Å; L224-C264 PolarHBondContact N-O 2.96Å; L224-C264 PolarHBondContact O-N 3.06Å; L224-C264 VanDerWaalsContact O-N 3.12Å; T262-C264 PolarHBondContact O-N 3.31Å; C264-F266 PolarHBondContact O-N 3.08Å
265N91.7Very high90.9Very high28 Ų2834.7 Ų34.715%0.1520%0.197CC..  trans-64.8135.4176178.4-85.6000109.9A220 G222 Y267 T268 F269A220-N265 PolarHBondContact O-ND2 3.16Å; G222-N265 PolarHBondContact O-ND2 3.5Å; N265-Y267 VanDerWaalsContact C-N 3.25Å; N265-Y267 PolarHBondContact O-N 3.01Å; N265-Y267 VanDerWaalsContact OD1-CB 3.3Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.4Å; N265-Y267 PolarHBondContact OD1-N 3.02Å; N265-T268 WeakPolarHBondContact O-CA 3.32Å; N265-T268 WeakPolarHBondContact O-CB 3.41Å; N265-T268 PolarHBondContact O-N 2.96Å; N265-T268 PolarHBondContact OD1-N 3.29Å; N265-F269 PolarHBondContact O-N 2.69Å
266F91.2Very high90.8Very high10 Ų1036 Ų364%0.04421%0.208CC..Hα-helixtrans-53.8-40.2-177.9177.6-116.6000113.2L192 F201 L224 C264 T268 F269 L270 F326L192-F266 HydrophobicContact CD2-CD2 4.13Å; L192-F266 HydrophobicContact CD2-CE2 3.9Å; F201-F266 HydrophobicContact CD2-CE2 4.23Å; F201-F266 HydrophobicContact CD2-CZ 4.26Å; F201-F266 HydrophobicContact CE2-CE2 4.48Å; L224-F266 HydrophobicContact CD2-CB 3.88Å; L224-F266 HydrophobicContact CD2-CD2 4.01Å; L224-F266 HydrophobicContact CD2-CG 4.25Å; C264-F266 PolarHBondContact O-N 3.08Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 3.02Å; F266-F269 WeakPolarHBondContact O-CB 3.45Å; F266-F269 PolarHBondContact O-N 2.94Å; F266-L270 HydrophobicContact CD1-CD1 3.85Å; F266-L270 HydrophobicContact CD1-CG 4.31Å; F266-L270 HydrophobicContact CD2-CG 4.3Å; F266-L270 HydrophobicContact CE1-CD1 3.26Å; F266-L270 HydrophobicContact CE1-CG 3.95Å; F266-L270 HydrophobicContact CE2-CD1 4.11Å; F266-L270 HydrophobicContact CE2-CD2 4.03Å; F266-L270 HydrophobicContact CE2-CG 3.91Å; F266-L270 HydrophobicContact CZ-CD1 3.42Å; F266-L270 VanDerWaalsContact CZ-CD1 3.42Å; F266-L270 HydrophobicContact CZ-CD2 3.95Å; F266-L270 HydrophobicContact CZ-CG 3.74Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 3.05Å; F266-F326 HydrophobicContact CB-CB 4.36Å; F266-F326 HydrophobicContact CB-CD1 4.27Å; F266-F326 HydrophobicContact CD1-CB 3.7Å; F266-F326 AromaticContact CD1-CD1 3.62Å; F266-F326 HydrophobicContact CD1-CD1 3.62Å; F266-F326 HydrophobicContact CD1-CE1 4.38Å; F266-F326 AromaticContact CD1-CG 3.77Å; F266-F326 HydrophobicContact CD1-CG 3.77Å; F266-F326 AromaticContact CD2-CD1 3.53Å; F266-F326 HydrophobicContact CD2-CD1 3.53Å; F266-F326 AromaticContact CD2-CE1 3.83Å; F266-F326 HydrophobicContact CD2-CE1 3.83Å; F266-F326 HydrophobicContact CD2-CG 4.49Å; F266-F326 HydrophobicContact CE1-CB 4.16Å; F266-F326 AromaticContact CE1-CD1 3.66Å; F266-F326 HydrophobicContact CE1-CD1 3.66Å; F266-F326 HydrophobicContact CE1-CD2 4.27Å; F266-F326 HydrophobicContact CE1-CE1 4.04Å; F266-F326 AromaticContact CE1-CG 3.79Å; F266-F326 HydrophobicContact CE1-CG 3.79Å; F266-F326 HydrophobicContact CE1-CZ 4.48Å; F266-F326 AromaticContact CE2-CD1 3.61Å; F266-F326 HydrophobicContact CE2-CD1 3.61Å; F266-F326 AromaticContact CE2-CE1 3.46Å; F266-F326 HydrophobicContact CE2-CE1 3.46Å; F266-F326 VanDerWaalsContact CE2-CE1 3.46Å; F266-F326 HydrophobicContact CE2-CZ 4.29Å; F266-F326 HydrophobicContact CG-CB 4.1Å; F266-F326 AromaticContact CG-CD1 3.52Å; F266-F326 HydrophobicContact CG-CD1 3.52Å; F266-F326 HydrophobicContact CG-CE1 4.26Å; F266-F326 HydrophobicContact CG-CG 4.1Å; F266-F326 AromaticContact CZ-CD1 3.65Å; F266-F326 HydrophobicContact CZ-CD1 3.65Å; F266-F326 AromaticContact CZ-CE1 3.55Å; F266-F326 HydrophobicContact CZ-CE1 3.55Å; F266-F326 HydrophobicContact CZ-CE2 4.5Å; F266-F326 HydrophobicContact CZ-CG 4.18Å; F266-F326 HydrophobicContact CZ-CZ 4Å
267Y91.8Very high90.6Very high16 Ų1637 Ų376%0.06322%0.215CC..Hα-helixtrans-71.7-30.2178.9-63.1-78.4000112.8M215 P216 H217 I218 N265 F269 L270 K271 L281M215-Y267 HydrophobicContact CE-CE1 4.08Å; P216-Y267 VanDerWaalsContact O-CE1 3.24Å; P216-Y267 WeakPolarHBondContact O-CE1 3.49Å; H217-Y267 HydrophobicContact CB-CD1 4.08Å; H217-Y267 HydrophobicContact CB-CE1 4.24Å; H217-Y267 HydrophobicContact CB-CG 4.32Å; H217-Y267 AromaticContact CD2-CD1 3.94Å; H217-Y267 AromaticContact CD2-CD2 3.17Å; H217-Y267 WeakPolarHBondContact CD2-CD2 3.22Å; H217-Y267 AromaticContact CD2-CE2 3.52Å; H217-Y267 AromaticContact CD2-CG 3.37Å; H217-Y267 AromaticContact CG-CG 3.95Å; H217-Y267 AromaticContact NE2-CD2 3.68Å; I218-Y267 PolarHBondContact N-OH 3.32Å; N265-Y267 VanDerWaalsContact C-N 3.25Å; N265-Y267 PolarHBondContact O-N 3.01Å; N265-Y267 VanDerWaalsContact OD1-CB 3.3Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.4Å; N265-Y267 PolarHBondContact OD1-N 3.02Å; Y267-F269 VanDerWaalsContact C-N 3.34Å; Y267-L270 PolarHBondContact O-N 3.43Å; Y267-K271 WeakPolarHBondContact O-CB 3.27Å; Y267-K271 PolarHBondContact O-N 2.8Å; Y267-L281 HydrophobicContact CD1-CD1 3.85Å
268T92.1Very high90.6Very high92 Ų9240.3 Ų40.356%0.56425%0.249SC*.Hα-helixtrans-65.9-41.3171-58.20000110.5N265 F266N265-T268 WeakPolarHBondContact O-CA 3.32Å; N265-T268 WeakPolarHBondContact O-CB 3.41Å; N265-T268 PolarHBondContact O-N 2.96Å; N265-T268 PolarHBondContact OD1-N 3.29Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 3.02Å
269F92.7Very high90.8Very high10 Ų1043 Ų434%0.04426%0.259CS..Hα-helixtrans-64.3-40.2173.8174.3-95.3000112.7Y194 F201 T226 N265 F266 Y267 P272 F273 M354Y194-F269 HydrophobicContact CD1-CE2 4.12Å; Y194-F269 HydrophobicContact CD1-CZ 4.04Å; Y194-F269 HydrophobicContact CD2-CE2 4.48Å; Y194-F269 HydrophobicContact CD2-CZ 4.29Å; Y194-F269 HydrophobicContact CG-CE2 4.1Å; Y194-F269 AromaticContact CG-CZ 3.71Å; Y194-F269 HydrophobicContact CG-CZ 3.71Å; F201-F269 AromaticContact CE2-CE1 3.99Å; F201-F269 HydrophobicContact CE2-CE1 3.99Å; F201-F269 AromaticContact CZ-CE1 3.77Å; F201-F269 HydrophobicContact CZ-CE1 3.77Å; F201-F269 HydrophobicContact CZ-CZ 4.46Å; T226-F269 HydrophobicContact CG2-CD1 4.25Å; T226-F269 HydrophobicContact CG2-CD2 3.93Å; T226-F269 HydrophobicContact CG2-CE1 4.19Å; T226-F269 HydrophobicContact CG2-CE2 3.85Å; T226-F269 HydrophobicContact CG2-CG 4.14Å; T226-F269 HydrophobicContact CG2-CZ 4.01Å; T226-F269 WeakPolarHBondContact OG1-CE2 3.47Å; N265-F269 PolarHBondContact O-N 2.69Å; F266-F269 WeakPolarHBondContact O-CB 3.45Å; F266-F269 PolarHBondContact O-N 2.94Å; Y267-F269 VanDerWaalsContact C-N 3.34Å; F269-P272 WeakPolarHBondContact O-CD 3.43Å; F269-F273 HydrophobicContact CE1-CE2 4.01Å; F269-F273 HydrophobicContact CE2-CE2 4.46Å; F269-F273 AromaticContact CZ-CE2 3.93Å; F269-F273 HydrophobicContact CZ-CE2 3.93Å; F269-M354 HydrophobicContact CD2-CE 3.76Å; F269-M354 HydrophobicContact CE2-CE 3.37Å; F269-M354 HydrophobicContact CZ-CE 4.24Å
270L93.7Very high91.3Very high0 Ų049.4 Ų49.40%029%0.29CS..Hα-helixtrans-72.3-29.8179.3-75.9-173.8000114.3F201 L202 V205 M215 F266 Y267 P272 F273 V274F201-L270 HydrophobicContact CD2-CD2 3.87Å; F201-L270 HydrophobicContact CE2-CD2 3.56Å; L202-L270 HydrophobicContact CD2-CD2 4.01Å; V205-L270 HydrophobicContact CG1-CD1 4.43Å; V205-L270 HydrophobicContact CG2-CD1 3.54Å; V205-L270 HydrophobicContact CG2-CD2 3.89Å; V205-L270 HydrophobicContact CG2-CG 4.37Å; M215-L270 HydrophobicContact CE-CD1 3.96Å; F266-L270 HydrophobicContact CD1-CD1 3.85Å; F266-L270 HydrophobicContact CD1-CG 4.31Å; F266-L270 HydrophobicContact CD2-CG 4.3Å; F266-L270 HydrophobicContact CE1-CD1 3.26Å; F266-L270 HydrophobicContact CE1-CG 3.95Å; F266-L270 HydrophobicContact CE2-CD1 4.11Å; F266-L270 HydrophobicContact CE2-CD2 4.03Å; F266-L270 HydrophobicContact CE2-CG 3.91Å; F266-L270 HydrophobicContact CZ-CD1 3.42Å; F266-L270 VanDerWaalsContact CZ-CD1 3.42Å; F266-L270 HydrophobicContact CZ-CD2 3.95Å; F266-L270 HydrophobicContact CZ-CG 3.74Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 3.05Å; Y267-L270 PolarHBondContact O-N 3.43Å; L270-P272 VanDerWaalsContact C-CD 3.48Å; L270-F273 WeakPolarHBondContact O-CB 3.24Å; L270-F273 PolarHBondContact O-N 2.67Å; L270-V274 HydrophobicContact CB-CG2 4.39Å; L270-V274 PolarHBondContact O-N 2.76Å
271K94.3Very high92.1Very high96 Ų9647.9 Ų47.942%0.41728%0.276SS..Hα-helixtrans-48.6-48.5-169.9178.5-178175.4-177.30113.5Y267 F273 V274 E275Y267-K271 WeakPolarHBondContact O-CB 3.27Å; Y267-K271 PolarHBondContact O-N 2.8Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-F273 PolarHBondContact O-N 2.76Å; K271-V274 PolarHBondContact O-N 2.95Å; K271-E275 WeakPolarHBondContact CE-OE1 2.96Å; K271-E275 HydrophobicContact CG-CG 4.32Å; K271-E275 IonicContact NZ-OE1 3.77Å; K271-E275 WeakPolarHBondContact O-CB 3.18Å; K271-E275 WeakPolarHBondContact O-CG 3.38Å; K271-E275 PolarHBondContact O-N 3.16Å
272P95Very high92.9Very high43 Ų4352.2 Ų52.228%0.27929%0.292SS..Hα-helixtrans-60.3-36.9179-22.934.9000113.4F269 L270 A276 L358F269-P272 WeakPolarHBondContact O-CD 3.43Å; L270-P272 VanDerWaalsContact C-CD 3.48Å; P272-A276 WeakPolarHBondContact O-CB 3.48Å; P272-A276 PolarHBondContact O-N 2.82Å; P272-L358 HydrophobicContact CB-CD1 4.11Å; P272-L358 HydrophobicContact CB-CD2 4.36Å; P272-L358 WeakPolarHBondContact O-CD1 3.11Å
273F95.4Very high93Very high2 Ų251.9 Ų51.91%0.00928%0.282CS..Hα-helixtrans-71.2-40.7178.8-57.5-69.4000112L202 F269 L270 K271 A276 S277 M354 T357 L358 W361L202-F273 HydrophobicContact CD1-CD1 4.28Å; L202-F273 HydrophobicContact CD1-CG 4.49Å; L202-F273 HydrophobicContact CD2-CB 3.86Å; L202-F273 HydrophobicContact CD2-CD1 4.38Å; L202-F273 HydrophobicContact CD2-CD2 3.92Å; L202-F273 HydrophobicContact CD2-CG 3.79Å; F269-F273 HydrophobicContact CE1-CE2 4.01Å; F269-F273 HydrophobicContact CE2-CE2 4.46Å; F269-F273 AromaticContact CZ-CE2 3.93Å; F269-F273 HydrophobicContact CZ-CE2 3.93Å; L270-F273 WeakPolarHBondContact O-CB 3.24Å; L270-F273 PolarHBondContact O-N 2.67Å; K271-F273 VanDerWaalsContact C-N 3.29Å; K271-F273 PolarHBondContact O-N 2.76Å; F273-A276 PolarHBondContact O-N 2.93Å; F273-S277 PolarHBondContact O-N 3.43Å; F273-S277 VanDerWaalsContact O-N 3.16Å; F273-S277 PolarHBondContact O-OG 3.01Å; F273-S277 VanDerWaalsContact O-OG 3.08Å; F273-M354 HydrophobicContact CE1-SD 4.5Å; F273-M354 HydrophobicContact CE2-CE 4.4Å; F273-M354 HydrophobicContact CE2-SD 4.02Å; F273-M354 HydrophobicContact CZ-CE 4.36Å; F273-M354 HydrophobicContact CZ-SD 3.62Å; F273-T357 HydrophobicContact CE1-CG2 3.69Å; F273-T357 HydrophobicContact CZ-CG2 3.93Å; F273-L358 HydrophobicContact CD1-CD1 4.02Å; F273-L358 HydrophobicContact CE1-CB 4.5Å; F273-L358 HydrophobicContact CE1-CD1 4.32Å; F273-W361 HydrophobicContact CD1-CB 4.05Å; F273-W361 AromaticContact CD1-CD1 3.88Å; F273-W361 AromaticContact CD1-CG 3.88Å; F273-W361 HydrophobicContact CD1-CG 3.88Å; F273-W361 HydrophobicContact CE1-CB 4.48Å; F273-W361 PolarHBondContact O-NE1 2.92Å
274V95.3Very high92.9Very high1 Ų152 Ų521%0.00628%0.28CS..Hα-helixtrans-63.5-46.7176.5175.20000110.7V205 M215 L270 K271 S277 Y279V205-V274 HydrophobicContact CG1-CG2 3.69Å; M215-V274 HydrophobicContact CB-CG1 3.89Å; M215-V274 HydrophobicContact CB-CG2 3.97Å; M215-V274 HydrophobicContact CG-CG2 4.19Å; L270-V274 HydrophobicContact CB-CG2 4.39Å; L270-V274 PolarHBondContact O-N 2.76Å; K271-V274 PolarHBondContact O-N 2.95Å; V274-S277 PolarHBondContact O-N 2.76Å; V274-Y279 PolarHBondContact O-N 2.83Å; V274-Y279 VanDerWaalsContact O-N 3.12Å
275E95.4Very high92.4Very high102 Ų10256 Ų5648%0.47731%0.306SS..Hα-helixtrans-66.6-38.9178.6-70.7177.4166.100112K271 S277 G278 Y279K271-E275 WeakPolarHBondContact CE-OE1 2.96Å; K271-E275 HydrophobicContact CG-CG 4.32Å; K271-E275 IonicContact NZ-OE1 3.77Å; K271-E275 WeakPolarHBondContact O-CB 3.18Å; K271-E275 WeakPolarHBondContact O-CG 3.38Å; K271-E275 PolarHBondContact O-N 3.16Å; E275-S277 PolarHBondContact O-N 3.17Å; E275-G278 PolarHBondContact O-N 3.36Å; E275-Y279 WeakPolarHBondContact CA-O 3.14Å
276A94Very high91.9Very high28 Ų2858.6 Ų58.623%0.23132%0.319CS..Hα-helixtrans-60.8-29.4173.800000113.3P272 F273 G278 L358 K362P272-A276 WeakPolarHBondContact O-CB 3.48Å; P272-A276 PolarHBondContact O-N 2.82Å; F273-A276 PolarHBondContact O-N 2.93Å; A276-G278 VanDerWaalsContact C-N 3.28Å; A276-L358 HydrophobicContact CB-CD1 3.65Å; A276-K362 HydrophobicContact CB-CD 4.37Å; A276-K362 HydrophobicContact CB-CG 3.66Å
277S93.2Very high91.5Very high21 Ų2161.9 Ų61.915%0.14734%0.342CS..THydrogen-bonded Turntrans-83.52.3175.4-60.70000114.1M206 F273 V274 E275 Y279 W361M206-S277 WeakPolarHBondContact SD-CB 3.38Å; M206-S277 PolarHBondContact SD-OG 3.33Å; F273-S277 PolarHBondContact O-N 3.43Å; F273-S277 VanDerWaalsContact O-N 3.16Å; F273-S277 PolarHBondContact O-OG 3.01Å; F273-S277 VanDerWaalsContact O-OG 3.08Å; V274-S277 PolarHBondContact O-N 2.76Å; E275-S277 PolarHBondContact O-N 3.17Å; S277-Y279 WeakPolarHBondContact O-CD2 3.48Å; S277-W361 PolarHBondContact OG-NE1 3.24Å
278G93.8Very high91Very high70 Ų7062.3 Ų62.372%0.72234%0.343SS*.THydrogen-bonded Turntrans81.810.7-179.500000114.8E275 A276E275-G278 PolarHBondContact O-N 3.36Å; A276-G278 VanDerWaalsContact C-N 3.28Å
279Y95.1Very high90.6Very high59 Ų5963.4 Ų63.423%0.23135%0.345CS..  trans-103.2170.2175.9-66.3-76.8000111.3M206 C209 R210 G213 V274 E275 S277M206-Y279 HydrophobicContact CE-CD2 4.41Å; M206-Y279 HydrophobicContact CE-CE2 3.91Å; C209-Y279 HydrophobicContact CB-CD1 3.89Å; C209-Y279 HydrophobicContact CB-CD2 3.53Å; C209-Y279 HydrophobicContact CB-CE1 4.11Å; C209-Y279 HydrophobicContact CB-CE2 3.76Å; C209-Y279 HydrophobicContact CB-CG 3.59Å; C209-Y279 WeakPolarHBondContact O-CE1 3.34Å; R210-Y279 WeakPolarHBondContact CG-OH 3.38Å; G213-Y279 WeakPolarHBondContact O-CD1 3.47Å; V274-Y279 PolarHBondContact O-N 2.83Å; V274-Y279 VanDerWaalsContact O-N 3.12Å; E275-Y279 WeakPolarHBondContact CA-O 3.14Å; S277-Y279 WeakPolarHBondContact O-CD2 3.48Å
280Q94.6Very high90.3Very high147 Ų14766.3 Ų66.369%0.68737%0.365SS*.  trans-119.4148.7174.4-66.6-176.3-15.500110.7F214 M215F214-Q280 WeakPolarHBondContact CB-O 3.5Å; M215-Q280 PolarHBondContact N-O 3.21Å
281L92.7Very high89.9Confident47 Ų4767.2 Ų67.225%0.24637%0.37CS..EExtended strand (participates in β ladder)trans-78.7122.3166.6-170.572.1000108.6M215 H217 Y267M215-L281 HydrophobicContact CB-CD1 3.89Å; M215-L281 HydrophobicContact CG-CD1 3.73Å; H217-L281 HydrophobicContact CB-CD1 3.77Å; H217-L281 HydrophobicContact CB-CD2 4.23Å; H217-L281 HydrophobicContact CB-CG 3.81Å; Y267-L281 HydrophobicContact CD1-CD1 3.85Å
282K92.8Very high89.4Confident117 Ų11764.2 Ų64.251%0.50936%0.359SS..EExtended strand (participates in β ladder)trans-117.9116.5178.9-172.2175.2-179.4175.20110.4F214 M215 H217 L284F214-K282 HydrophobicContact CB-CB 4.24Å; F214-K282 HydrophobicContact CD1-CD 4.24Å; F214-K282 HydrophobicContact CD2-CB 3.48Å; F214-K282 VanDerWaalsContact CD2-CB 3.48Å; F214-K282 HydrophobicContact CD2-CD 4.13Å; F214-K282 HydrophobicContact CD2-CG 4.34Å; F214-K282 HydrophobicContact CE1-CD 4.23Å; F214-K282 HydrophobicContact CE2-CB 3.98Å; F214-K282 HydrophobicContact CE2-CD 4.1Å; F214-K282 HydrophobicContact CE2-CG 4.44Å; F214-K282 HydrophobicContact CG-CB 3.94Å; F214-K282 HydrophobicContact CG-CD 4.19Å; F214-K282 HydrophobicContact CZ-CD 4.16Å; M215-K282 PolarHBondContact O-N 2.82Å; H217-K282 PolarHBondContact N-O 2.81Å; K282-L284 PolarHBondContact O-N 3.46Å
283E89.4Confident89.1Confident122 Ų12264.6 Ų64.657%0.5737%0.365SS*.EExtended strand (participates in β ladder)trans-67.5125.6172.7-165.7172.7148.900110.1H217 A219H217-E283 WeakPolarHBondContact O-CA 3.39Å; A219-E283 HydrophobicContact CB-CG 4.16Å; A219-E283 WeakPolarHBondContact CB-OE1 3.34Å
284L86.4Confident88.7Confident40 Ų4068.4 Ų68.421%0.20939%0.389CS..EExtended strand (participates in β ladder)trans-90.5136.1175.7-61.7-178.7000108.8F214 P216 H217 K282 L286F214-L284 HydrophobicContact CE2-CD2 4.02Å; F214-L284 HydrophobicContact CZ-CD2 4.29Å; P216-L284 HydrophobicContact CB-CD1 3.64Å; P216-L284 HydrophobicContact CB-CG 4.26Å; H217-L284 PolarHBondContact O-N 3.39Å; K282-L284 PolarHBondContact O-N 3.46Å; L284-L286 HydrophobicContact CB-CB 4.46Å; L284-L286 HydrophobicContact CB-CD1 4.06Å; L284-L286 HydrophobicContact CB-CG 4.06Å; L284-L286 HydrophobicContact CD1-CD1 4.02Å; L284-L286 PolarHBondContact O-N 3Å
285P80.9Confident88.3Confident126 Ų12669.1 Ų69.182%0.81839%0.393SS*.  trans-77.352.1178.934.8-37.4000111
286L80.9Confident87.9Confident81 Ų8166.6 Ų66.642%0.42439%0.387SS..  trans-113.2112.9-175.1-67.4178.7000109.4L284 Y288L284-L286 HydrophobicContact CB-CB 4.46Å; L284-L286 HydrophobicContact CB-CD1 4.06Å; L284-L286 HydrophobicContact CB-CG 4.06Å; L284-L286 HydrophobicContact CD1-CD1 4.02Å; L284-L286 PolarHBondContact O-N 3Å; L286-Y288 PolarHBondContact O-N 3.04Å
287P82Confident87.7Confident80 Ų8070.9 Ų70.952%0.51941%0.405SS..  trans-65.3133.8174.527.3-34.2000109.8L289 P290 T291P287-L289 VanDerWaalsContact C-N 3.34Å; P287-L289 PolarHBondContact O-N 3.27Å; P287-P290 HydrophobicContact CB-CG 4.21Å; P287-P290 HydrophobicContact CG-CB 4.09Å; P287-P290 HydrophobicContact CG-CG 3.64Å; P287-P290 VanDerWaalsContact O-CD 3.28Å; P287-P290 WeakPolarHBondContact O-CD 3.3Å; P287-T291 PolarHBondContact O-N 3.11Å; P287-T291 VanDerWaalsContact O-N 3.15Å; P287-T291 PolarHBondContact O-OG1 3.14Å; P287-T291 VanDerWaalsContact O-OG1 3.14Å
288Y81Confident87.3Confident24 Ų2471.9 Ų71.99%0.09441%0.41CS..Hα-helixtrans-54.8-44.8-172.5176.9-91.4000113.7A220 L286 T291 L292 C327 R328A220-Y288 HydrophobicContact CB-CD2 3.78Å; A220-Y288 HydrophobicContact CB-CE2 4.44Å; A220-Y288 HydrophobicContact CB-CG 4.29Å; L286-Y288 PolarHBondContact O-N 3.04Å; Y288-T291 PolarHBondContact O-N 3.04Å; Y288-L292 HydrophobicContact CE1-CB 4.23Å; Y288-L292 HydrophobicContact CE1-CD2 3.79Å; Y288-L292 WeakPolarHBondContact O-CB 3.24Å; Y288-L292 PolarHBondContact O-N 3.3Å; Y288-C327 HydrophobicContact CE2-CB 4.15Å; Y288-R328 HydrophobicContact CE1-CB 4.36Å; Y288-R328 HydrophobicContact CE1-CG 4.21Å; Y288-R328 HydrophobicContact CE2-CB 4.09Å; Y288-R328 WeakPolarHBondContact OH-CB 3.47Å; Y288-R328 WeakPolarHBondContact OH-CD 3.17Å
289L84.8Confident86.9Confident116 Ų11669.3 Ų69.361%0.60738%0.379SS*.Hα-helixtrans-65-48.6-175.6-70.7175.6000112.8P287 T291 L292 A293P287-L289 VanDerWaalsContact C-N 3.34Å; P287-L289 PolarHBondContact O-N 3.27Å; L289-T291 VanDerWaalsContact C-N 3.33Å; L289-T291 PolarHBondContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 3.46Å; L289-A293 WeakPolarHBondContact O-CB 3.24Å; L289-A293 PolarHBondContact O-N 2.86Å
290P86.4Confident86.4Confident71 Ų7171.4 Ų71.446%0.46139%0.394SS..Hα-helixtrans-60.4-36.3171.3-31.139.1000114.6P287 A293 T294P287-P290 HydrophobicContact CB-CG 4.21Å; P287-P290 HydrophobicContact CG-CB 4.09Å; P287-P290 HydrophobicContact CG-CG 3.64Å; P287-P290 VanDerWaalsContact O-CD 3.28Å; P287-P290 WeakPolarHBondContact O-CD 3.3Å; P290-A293 PolarHBondContact O-N 2.9Å; P290-T294 WeakPolarHBondContact O-CB 3.43Å; P290-T294 PolarHBondContact O-N 2.99Å; P290-T294 PolarHBondContact O-OG1 3.01Å
291T85Confident86.1Confident18 Ų1870.3 Ų70.311%0.1139%0.387CS..Hα-helixtrans-63.4-48.2174.3-58.40000110.9I218 P287 Y288 L289 A293 T294 V295 F323I218-T291 HydrophobicContact CD1-CG2 3.77Å; P287-T291 PolarHBondContact O-N 3.11Å; P287-T291 VanDerWaalsContact O-N 3.15Å; P287-T291 PolarHBondContact O-OG1 3.14Å; P287-T291 VanDerWaalsContact O-OG1 3.14Å; Y288-T291 PolarHBondContact O-N 3.04Å; L289-T291 VanDerWaalsContact C-N 3.33Å; L289-T291 PolarHBondContact O-N 3.11Å; T291-A293 VanDerWaalsContact C-N 3.33Å; T291-A293 PolarHBondContact O-N 2.79Å; T291-T294 WeakPolarHBondContact O-CB 3.29Å; T291-T294 PolarHBondContact O-N 2.9Å; T291-V295 HydrophobicContact CG2-CG2 4.44Å; T291-V295 VanDerWaalsContact O-CG2 3.25Å; T291-V295 WeakPolarHBondContact O-CG2 3.17Å; T291-V295 PolarHBondContact O-N 2.67Å; T291-F323 HydrophobicContact CG2-CE1 4.5Å; T291-F323 HydrophobicContact CG2-CZ 4.3Å
292L84.6Confident85.7Confident33 Ų3368.2 Ų68.217%0.17338%0.376CS..Hα-helixtrans-58.7-45.7176.9179.662.8000111Y288 L289 T294 V295 C296 I320Y288-L292 HydrophobicContact CE1-CB 4.23Å; Y288-L292 HydrophobicContact CE1-CD2 3.79Å; Y288-L292 WeakPolarHBondContact O-CB 3.24Å; Y288-L292 PolarHBondContact O-N 3.3Å; L289-L292 PolarHBondContact O-N 3.46Å; L292-T294 VanDerWaalsContact C-N 3.33Å; L292-T294 PolarHBondContact O-N 3.44Å; L292-V295 PolarHBondContact O-N 2.88Å; L292-C296 WeakPolarHBondContact O-CB 3.1Å; L292-C296 PolarHBondContact O-N 3.48Å; L292-C296 PolarHBondContact O-SG 3.15Å; L292-I320 HydrophobicContact CD1-CB 4.47Å; L292-I320 HydrophobicContact CD1-CG1 4.39Å; L292-I320 HydrophobicContact CD1-CG2 3.78Å
293A88.2Confident85.1Confident51 Ų5168.4 Ų68.442%0.42138%0.377SS..Hα-helixtrans-59.2-44.2176.300000111.9L289 P290 T291 V295 C296 L297L289-A293 WeakPolarHBondContact O-CB 3.24Å; L289-A293 PolarHBondContact O-N 2.86Å; P290-A293 PolarHBondContact O-N 2.9Å; T291-A293 VanDerWaalsContact C-N 3.33Å; T291-A293 PolarHBondContact O-N 2.79Å; A293-V295 PolarHBondContact O-N 3.25Å; A293-C296 WeakPolarHBondContact O-CB 3.46Å; A293-C296 PolarHBondContact O-N 2.78Å; A293-L297 VanDerWaalsContact O-CG 3.29Å; A293-L297 WeakPolarHBondContact O-CG 2.99Å; A293-L297 PolarHBondContact O-N 2.69Å
294T87Confident85Confident83 Ų8366.6 Ų66.651%0.50937%0.371SS..Hα-helixtrans-60.1-46175.9-57.10000111.3P290 T291 L292 C296 L297 V298P290-T294 WeakPolarHBondContact O-CB 3.43Å; P290-T294 PolarHBondContact O-N 2.99Å; P290-T294 PolarHBondContact O-OG1 3.01Å; T291-T294 WeakPolarHBondContact O-CB 3.29Å; T291-T294 PolarHBondContact O-N 2.9Å; L292-T294 VanDerWaalsContact C-N 3.33Å; L292-T294 PolarHBondContact O-N 3.44Å; T294-C296 VanDerWaalsContact C-N 3.35Å; T294-C296 PolarHBondContact O-N 2.9Å; T294-L297 PolarHBondContact O-N 2.95Å; T294-V298 HydrophobicContact CG2-CG2 4.42Å; T294-V298 VanDerWaalsContact O-CG2 3.31Å; T294-V298 WeakPolarHBondContact O-CG2 3.03Å; T294-V298 PolarHBondContact O-N 3.28Å
295V86.1Confident84.8Confident15 Ų1566.4 Ų66.49%0.09137%0.369CS..Hα-helixtrans-64.3-41179.11760000110.9M91 T291 L292 A293 V298 Q299 I320 F323M91-V295 HydrophobicContact CE-CG1 4.21Å; T291-V295 HydrophobicContact CG2-CG2 4.44Å; T291-V295 VanDerWaalsContact O-CG2 3.25Å; T291-V295 WeakPolarHBondContact O-CG2 3.17Å; T291-V295 PolarHBondContact O-N 2.67Å; L292-V295 PolarHBondContact O-N 2.88Å; A293-V295 PolarHBondContact O-N 3.25Å; V295-V298 PolarHBondContact O-N 3.24Å; V295-Q299 WeakPolarHBondContact O-CB 3.28Å; V295-Q299 PolarHBondContact O-N 3.3Å; V295-I320 HydrophobicContact CG1-CG1 3.98Å; V295-F323 HydrophobicContact CB-CD2 4.44Å; V295-F323 HydrophobicContact CB-CE2 4.3Å; V295-F323 HydrophobicContact CG1-CD2 4.11Å; V295-F323 HydrophobicContact CG1-CE2 4.13Å; V295-F323 HydrophobicContact CG2-CD2 3.91Å; V295-F323 HydrophobicContact CG2-CE2 3.36Å; V295-F323 HydrophobicContact CG2-CZ 4.19Å
296C86.4Confident84.8Confident50 Ų5066.7 Ų66.734%0.33835%0.354SS..Hα-helixtrans-59-46.4173.3-69.70000112L292 A293 T294 Q299 L300 I320L292-C296 WeakPolarHBondContact O-CB 3.1Å; L292-C296 PolarHBondContact O-N 3.48Å; L292-C296 PolarHBondContact O-SG 3.15Å; A293-C296 WeakPolarHBondContact O-CB 3.46Å; A293-C296 PolarHBondContact O-N 2.78Å; T294-C296 VanDerWaalsContact C-N 3.35Å; T294-C296 PolarHBondContact O-N 2.9Å; C296-Q299 PolarHBondContact O-N 2.9Å; C296-L300 WeakPolarHBondContact O-CB 3.31Å; C296-L300 PolarHBondContact O-N 3.42Å; C296-I320 HydrophobicContact CB-CD1 4.18Å; C296-I320 WeakPolarHBondContact SG-CD1 3.35Å
297L89.9Confident84.9Confident118 Ų11869 Ų6962%0.61837%0.367SS*.Hα-helixtrans-64.6-44.4179-71.4172.9000111.5A293 T294 L300 F301A293-L297 VanDerWaalsContact O-CG 3.29Å; A293-L297 WeakPolarHBondContact O-CG 2.99Å; A293-L297 PolarHBondContact O-N 2.69Å; T294-L297 PolarHBondContact O-N 2.95Å; L297-L300 PolarHBondContact O-N 3.36Å; L297-F301 VanDerWaalsContact O-CB 3.26Å; L297-F301 WeakPolarHBondContact O-CB 3.44Å; L297-F301 PolarHBondContact O-N 3.08Å
298V86.4Confident85.1Confident41 Ų4170.9 Ų70.925%0.24837%0.371CS..Hα-helixtrans-61.8-45.3175.11740000110.3M91 T294 V295 L300 F301 L302 L317M91-V298 HydrophobicContact CE-CG1 4.46Å; M91-V298 HydrophobicContact SD-CG1 3.83Å; T294-V298 HydrophobicContact CG2-CG2 4.42Å; T294-V298 VanDerWaalsContact O-CG2 3.31Å; T294-V298 WeakPolarHBondContact O-CG2 3.03Å; T294-V298 PolarHBondContact O-N 3.28Å; V295-V298 PolarHBondContact O-N 3.24Å; V298-L300 VanDerWaalsContact C-N 3.34Å; V298-L300 PolarHBondContact O-N 2.59Å; V298-F301 WeakPolarHBondContact O-CB 3.42Å; V298-F301 PolarHBondContact O-N 2.81Å; V298-L302 HydrophobicContact CG1-CD1 4.15Å; V298-L302 HydrophobicContact CG1-CG 4.25Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 2.92Å; V298-L317 HydrophobicContact CG1-CD1 4.01Å
299Q83.7Confident85.3Confident17 Ų1777 Ų778%0.07940%0.398CS..Hα-helixtrans-62.6-41.4179.1-162.9165.3-3.200112.2M91 V295 C296 K303 I320M91-Q299 HydrophobicContact CE-CB 3.39Å; M91-Q299 HydrophobicContact CE-CG 3.72Å; V295-Q299 WeakPolarHBondContact O-CB 3.28Å; V295-Q299 PolarHBondContact O-N 3.3Å; C296-Q299 PolarHBondContact O-N 2.9Å; Q299-K303 WeakPolarHBondContact O-CB 3.38Å; Q299-K303 VanDerWaalsContact O-CG 3.31Å; Q299-K303 WeakPolarHBondContact O-CG 3.4Å; Q299-K303 PolarHBondContact O-N 2.84Å; Q299-I320 VanDerWaalsContact OE1-CD1 3.26Å
300L85.9Confident85Confident102 Ų10274.1 Ų74.153%0.53440%0.397SS..Hα-helixtrans-64.1-44.3175.8-175.666000110.8C296 L297 V298 K303 L304C296-L300 WeakPolarHBondContact O-CB 3.31Å; C296-L300 PolarHBondContact O-N 3.42Å; L297-L300 PolarHBondContact O-N 3.36Å; V298-L300 VanDerWaalsContact C-N 3.34Å; V298-L300 PolarHBondContact O-N 2.59Å; L300-K303 PolarHBondContact O-N 2.67Å; L300-L304 HydrophobicContact CG-CD1 4.34Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.06Å
301F87.2Confident84.2Confident124 Ų12473.4 Ų73.454%0.54439%0.393SS..Hα-helixtrans-60.8-45.8177.2179.3-109000112.2L297 V298 K303 L304 I305L297-F301 VanDerWaalsContact O-CB 3.26Å; L297-F301 WeakPolarHBondContact O-CB 3.44Å; L297-F301 PolarHBondContact O-N 3.08Å; V298-F301 WeakPolarHBondContact O-CB 3.42Å; V298-F301 PolarHBondContact O-N 2.81Å; F301-K303 PolarHBondContact O-N 3.46Å; F301-L304 WeakPolarHBondContact O-CB 3.43Å; F301-L304 PolarHBondContact O-N 3.09Å; F301-I305 HydrophobicContact CD1-CD1 3.8Å; F301-I305 HydrophobicContact CE1-CD1 3.26Å; F301-I305 HydrophobicContact CE1-CG1 4.3Å; F301-I305 HydrophobicContact CE2-CD1 4.18Å; F301-I305 HydrophobicContact CE2-CG1 4.47Å; F301-I305 HydrophobicContact CG-CD1 4.47Å; F301-I305 HydrophobicContact CZ-CD1 3.49Å; F301-I305 VanDerWaalsContact CZ-CD1 3.49Å; F301-I305 HydrophobicContact CZ-CG1 4.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.48Å; F301-I305 PolarHBondContact O-N 2.71Å
302L83.9Confident83.3Confident4 Ų476.3 Ų76.32%0.02141%0.411CS..Hα-helixtrans-66-35.8176.7-65.7-175000113.1M91 Y92 V298 L304 I305 W306 F315M91-L302 HydrophobicContact CB-CD1 4.29Å; M91-L302 HydrophobicContact CG-CD1 4.27Å; M91-L302 HydrophobicContact SD-CD1 3.43Å; M91-L302 WeakPolarHBondContact SD-CD1 3.43Å; Y92-L302 HydrophobicContact CE2-CD1 4.49Å; V298-L302 HydrophobicContact CG1-CD1 4.15Å; V298-L302 HydrophobicContact CG1-CG 4.25Å; V298-L302 VanDerWaalsContact O-CG 3.31Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 2.92Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-I305 PolarHBondContact O-N 2.87Å; L302-W306 WeakPolarHBondContact O-CB 3.26Å; L302-W306 PolarHBondContact O-N 3.4Å; L302-F315 HydrophobicContact CD1-CB 4.27Å; L302-F315 HydrophobicContact CD1-CD2 3.63Å; L302-F315 HydrophobicContact CD1-CE2 4.47Å; L302-F315 HydrophobicContact CD1-CG 4.34Å; L302-F315 HydrophobicContact CD2-CD2 3.37Å; L302-F315 HydrophobicContact CD2-CE2 3.35Å; L302-F315 HydrophobicContact CG-CD2 4.12Å; L302-F315 HydrophobicContact CG-CE2 4.5Å
303K81.5Confident82.1Confident120 Ų12076.7 Ų76.752%0.52242%0.416SS..Hα-helixtrans-63.6-40.7172.2-78178178.6-177.90111.6Q299 L300 F301 W306 L307Q299-K303 WeakPolarHBondContact O-CB 3.38Å; Q299-K303 VanDerWaalsContact O-CG 3.31Å; Q299-K303 WeakPolarHBondContact O-CG 3.4Å; Q299-K303 PolarHBondContact O-N 2.84Å; L300-K303 PolarHBondContact O-N 2.67Å; F301-K303 PolarHBondContact O-N 3.46Å; K303-W306 PolarHBondContact O-N 2.78Å; K303-L307 WeakPolarHBondContact O-CB 3.41Å; K303-L307 PolarHBondContact O-N 3.29Å
304L85.9Confident80.8Confident84 Ų8480 Ų8044%0.4443%0.427SS..Hα-helixtrans-66-44.1176-71.8168.2000111.7L300 F301 L302 W306 L307 I308L300-L304 HydrophobicContact CG-CD1 4.34Å; L300-L304 WeakPolarHBondContact O-CG 3.4Å; L300-L304 PolarHBondContact O-N 3.06Å; F301-L304 WeakPolarHBondContact O-CB 3.43Å; F301-L304 PolarHBondContact O-N 3.09Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L304-W306 VanDerWaalsContact C-N 3.33Å; L304-W306 PolarHBondContact O-N 2.89Å; L304-L307 PolarHBondContact O-N 3.07Å; L304-I308 VanDerWaalsContact O-CG1 3.27Å; L304-I308 WeakPolarHBondContact O-CG1 3.45Å; L304-I308 PolarHBondContact O-N 3.31Å
305I84Confident79.7Confident36 Ų3681.1 Ų81.119%0.18543%0.425CS..Hα-helixtrans-58-47.4174-73.5175.3000110.6F301 L302 L307 I308 F309F301-I305 HydrophobicContact CD1-CD1 3.8Å; F301-I305 HydrophobicContact CE1-CD1 3.26Å; F301-I305 HydrophobicContact CE1-CG1 4.3Å; F301-I305 HydrophobicContact CE2-CD1 4.18Å; F301-I305 HydrophobicContact CE2-CG1 4.47Å; F301-I305 HydrophobicContact CG-CD1 4.47Å; F301-I305 HydrophobicContact CZ-CD1 3.49Å; F301-I305 VanDerWaalsContact CZ-CD1 3.49Å; F301-I305 HydrophobicContact CZ-CG1 4.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.48Å; F301-I305 PolarHBondContact O-N 2.71Å; L302-I305 PolarHBondContact O-N 2.87Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-L307 PolarHBondContact O-N 3.27Å; I305-I308 PolarHBondContact O-N 3.32Å; I305-F309 HydrophobicContact CG2-CD2 4.1Å; I305-F309 WeakPolarHBondContact O-CB 3.48Å; I305-F309 WeakPolarHBondContact O-CD2 3.34Å; I305-F309 PolarHBondContact O-N 3.11Å
306W80.7Confident78.7Confident133 Ų13384 Ų8450%0.50444%0.44SS..Hα-helixtrans-62.2-41.2178.5177.876000111.8L302 K303 L304 I308 G310 S311L302-W306 WeakPolarHBondContact O-CB 3.26Å; L302-W306 PolarHBondContact O-N 3.4Å; K303-W306 PolarHBondContact O-N 2.78Å; L304-W306 VanDerWaalsContact C-N 3.33Å; L304-W306 PolarHBondContact O-N 2.89Å; W306-I308 VanDerWaalsContact C-N 3.34Å; W306-I308 PolarHBondContact O-N 3.48Å; W306-G310 WeakPolarHBondContact O-CA 2.99Å; W306-G310 PolarHBondContact O-N 3.36Å; W306-S311 WeakPolarHBondContact CA-O 3.03Å
307L82.4Confident78.1Confident130 Ų13084.9 Ų84.968%0.68144%0.441SS*.Hα-helixtrans-64.5-36.9177.9-172.769.2000112.7K303 L304 I305K303-L307 WeakPolarHBondContact O-CB 3.41Å; K303-L307 PolarHBondContact O-N 3.29Å; L304-L307 PolarHBondContact O-N 3.07Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-L307 PolarHBondContact O-N 3.27Å
308I86.9Confident77.7Confident119 Ų11981.1 Ų81.161%0.6142%0.423SS*.Hα-helixtrans-83.6-43.2-176.8-65166.9000111.7L304 I305 W306L304-I308 VanDerWaalsContact O-CG1 3.27Å; L304-I308 WeakPolarHBondContact O-CG1 3.45Å; L304-I308 PolarHBondContact O-N 3.31Å; I305-I308 PolarHBondContact O-N 3.32Å; W306-I308 VanDerWaalsContact C-N 3.34Å; W306-I308 PolarHBondContact O-N 3.48Å
309F85.3Confident77.6Confident153 Ų15379.1 Ų79.167%0.67141%0.412SS*.Hα-helixtrans-110.2-8.4-169.6-61.6-74000114.1I305 S311I305-F309 HydrophobicContact CG2-CD2 4.1Å; I305-F309 WeakPolarHBondContact O-CB 3.48Å; I305-F309 WeakPolarHBondContact O-CD2 3.34Å; I305-F309 PolarHBondContact O-N 3.11Å; F309-S311 PolarHBondContact O-N 2.79Å
310G76.8Confident77.7Confident55 Ų5580 Ų8057%0.56742%0.417SS*.  trans65.73.8-17200000114.2W306W306-G310 WeakPolarHBondContact O-CA 2.99Å; W306-G310 PolarHBondContact O-N 3.36Å
311S70.2Confident77.8Confident56 Ų5675.3 Ų75.339%0.39239%0.392SS..  trans-86.9129.3-175.5-175.80000110.8W306 F309W306-S311 WeakPolarHBondContact CA-O 3.03Å; F309-S311 PolarHBondContact O-N 2.79Å
312T67.1Low77.8Confident79 Ų7970 Ų7049%0.48537%0.37SS..  trans-91.4114.7167.349.50000107.9Y92Y92-T312 HydrophobicContact CD1-CG2 4.34Å; Y92-T312 HydrophobicContact CE1-CG2 4.16Å
313S59.6Low77.9Confident40 Ų4070.8 Ų70.828%0.2837%0.373SS..  trans-100.997.6174.4-68.90000108.3Y92 F315Y92-S313 VanDerWaalsContact CE2-O 3.22Å; Y92-S313 WeakPolarHBondContact CE2-O 3.49Å; Y92-S313 PolarHBondContact OH-N 2.98Å; S313-F315 VanDerWaalsContact C-N 3.25Å; S313-F315 WeakPolarHBondContact O-CD2 3.24Å; S313-F315 PolarHBondContact O-N 3.21Å
314N60.3Low78.2Confident122 Ų12265.3 Ų65.365%0.65235%0.349SS*.  trans-70.282.5-179.6-68.9-24.4000110.7Y92 D316Y92-N314 WeakPolarHBondContact CD2-OD1 3.29Å; N314-D316 PolarHBondContact O-N 3.18Å
315F63.7Low78.4Confident105 Ų10561.8 Ų61.846%0.46133%0.33SS..  trans-72.9123.4162.3-70.9-85.8000107.5L302 S313 L317L302-F315 HydrophobicContact CD1-CB 4.27Å; L302-F315 HydrophobicContact CD1-CD2 3.63Å; L302-F315 HydrophobicContact CD1-CE2 4.47Å; L302-F315 HydrophobicContact CD1-CG 4.34Å; L302-F315 HydrophobicContact CD2-CD2 3.37Å; L302-F315 HydrophobicContact CD2-CE2 3.35Å; L302-F315 HydrophobicContact CG-CD2 4.12Å; L302-F315 HydrophobicContact CG-CE2 4.5Å; S313-F315 VanDerWaalsContact C-N 3.25Å; S313-F315 WeakPolarHBondContact O-CD2 3.24Å; S313-F315 PolarHBondContact O-N 3.21Å; F315-L317 HydrophobicContact CB-CD1 4.28Å; F315-L317 HydrophobicContact CB-CG 4.34Å; F315-L317 PolarHBondContact O-N 3.25Å
316D65Low78.6Confident77 Ų7760.8 Ų60.841%0.41233%0.325SS..  trans-69.445.8174.3-62.7-33.5000112.1R207 K211 N314R207-D316 IonicContact NH1-OD1 2.76Å; R207-D316 IonicContact NH1-OD2 3.69Å; K211-D316 IonicContact NZ-OD2 2.74Å; K211-D316 PolarHBondContact NZ-OD2 2.85Å; N314-D316 PolarHBondContact O-N 3.18Å
317L74.4Confident78.7Confident67 Ų6754.6 Ų54.635%0.35130%0.301SS..PPolyproline II helixtrans-101.6134.1176.8-69.2172.7000108.8M91 V298 F315 N319M91-L317 HydrophobicContact CG-CB 4.26Å; M91-L317 VanDerWaalsContact CG-O 3.31Å; M91-L317 WeakPolarHBondContact CG-O 3.47Å; M91-L317 HydrophobicContact SD-CB 4.18Å; V298-L317 HydrophobicContact CG1-CD1 4.01Å; F315-L317 HydrophobicContact CB-CD1 4.28Å; F315-L317 HydrophobicContact CB-CG 4.34Å; F315-L317 PolarHBondContact O-N 3.25Å; L317-N319 PolarHBondContact O-N 3.35Å
318P81.3Confident78.9Confident39 Ų3953.2 Ų53.225%0.25329%0.287SS..PPolyproline II helixtrans-58.7139.1169.821.3-29.5000110.1F89 T322 F323F89-P318 WeakPolarHBondContact O-CA 3.41Å; P318-T322 HydrophobicContact CB-CG2 3.71Å; P318-F323 HydrophobicContact CB-CD2 4.31Å; P318-F323 HydrophobicContact CB-CE2 3.97Å; P318-F323 HydrophobicContact CB-CZ 4.3Å; P318-F323 HydrophobicContact CG-CD2 4.24Å; P318-F323 HydrophobicContact CG-CE1 4.18Å; P318-F323 HydrophobicContact CG-CE2 3.44Å; P318-F323 VanDerWaalsContact CG-CE2 3.44Å; P318-F323 HydrophobicContact CG-CZ 3.42Å; P318-F323 VanDerWaalsContact CG-CZ 3.42Å
319N84.2Confident78.9Confident0 Ų049 Ų490%026%0.264CS..PPolyproline II helixtrans-73.6169.7174.168.857.8000111.5E88 F89 G90 R156 L317 S321 T322 F323E88-N319 PolarHBondContact O-ND2 2.83Å; F89-N319 PolarHBondContact O-N 3.36Å; F89-N319 PolarHBondContact O-ND2 3.1Å; F89-N319 VanDerWaalsContact O-ND2 3.1Å; G90-N319 WeakPolarHBondContact O-CB 3.43Å; G90-N319 PolarHBondContact O-ND2 3.24Å; R156-N319 PolarHBondContact NH1-ND2 2.78Å; R156-N319 VanDerWaalsContact NH1-ND2 3.11Å; L317-N319 PolarHBondContact O-N 3.35Å; N319-S321 VanDerWaalsContact C-N 3.26Å; N319-S321 PolarHBondContact O-N 3.34Å; N319-S321 VanDerWaalsContact OD1-CA 3.26Å; N319-S321 WeakPolarHBondContact OD1-CA 3.38Å; N319-S321 WeakPolarHBondContact OD1-CB 3.47Å; N319-S321 PolarHBondContact OD1-N 3.27Å; N319-T322 PolarHBondContact ND2-OG1 3.14Å; N319-T322 WeakPolarHBondContact O-CB 3.35Å; N319-T322 PolarHBondContact O-N 3.03Å; N319-T322 PolarHBondContact OD1-N 3.1Å; N319-T322 PolarHBondContact OD1-OG1 3.4Å; N319-F323 WeakPolarHBondContact O-CD2 3.47Å; N319-F323 PolarHBondContact O-N 2.84Å
320I86.1Confident79.2Confident36 Ų3646.9 Ų46.919%0.18525%0.252CS..Hα-helixtrans-53.1-45.8178.1-64.4162.8000111.5Y133 L292 V295 C296 Q299 T322 F323 D324Y133-I320 HydrophobicContact CE1-CG2 4.13Å; L292-I320 HydrophobicContact CD1-CB 4.47Å; L292-I320 HydrophobicContact CD1-CG1 4.39Å; L292-I320 HydrophobicContact CD1-CG2 3.78Å; V295-I320 HydrophobicContact CG1-CG1 3.98Å; C296-I320 HydrophobicContact CB-CD1 4.18Å; C296-I320 WeakPolarHBondContact SG-CD1 3.35Å; Q299-I320 VanDerWaalsContact OE1-CD1 3.26Å; I320-T322 VanDerWaalsContact C-N 3.33Å; I320-T322 PolarHBondContact O-N 3.11Å; I320-F323 WeakPolarHBondContact O-CB 3.28Å; I320-F323 PolarHBondContact O-N 3.01Å; I320-F323 VanDerWaalsContact O-N 3.11Å; I320-D324 WeakPolarHBondContact CG2-OD2 3.43Å; I320-D324 PolarHBondContact O-N 2.88Å
321S88Confident79.9Confident3 Ų344.2 Ų44.22%0.02123%0.225CC..Hα-helixtrans-60.5-40.4-179.3-50.40000112.9Y133 L154 R156 N319 F323 D324 Y325Y133-S321 PolarHBondContact OH-OG 2.76Å; L154-S321 WeakPolarHBondContact O-CB 3.45Å; R156-S321 WeakPolarHBondContact CD-OG 3.34Å; R156-S321 WeakPolarHBondContact CG-OG 3.42Å; N319-S321 VanDerWaalsContact C-N 3.26Å; N319-S321 PolarHBondContact O-N 3.34Å; N319-S321 VanDerWaalsContact OD1-CA 3.26Å; N319-S321 WeakPolarHBondContact OD1-CA 3.38Å; N319-S321 WeakPolarHBondContact OD1-CB 3.47Å; N319-S321 PolarHBondContact OD1-N 3.27Å; S321-F323 VanDerWaalsContact C-N 3.34Å; S321-D324 PolarHBondContact O-N 3.19Å; S321-Y325 WeakPolarHBondContact O-CB 3.38Å; S321-Y325 PolarHBondContact O-N 2.94Å
322T87.7Confident81Confident12 Ų1245.4 Ų45.47%0.07422%0.221CC..Hα-helixtrans-61.2-43.2174.2-56.60000111F89 P318 N319 I320 F326F89-T322 WeakPolarHBondContact CA-OG1 3.48Å; F89-T322 HydrophobicContact CB-CG2 4.06Å; F89-T322 HydrophobicContact CD1-CG2 3.92Å; F89-T322 HydrophobicContact CG-CG2 4.38Å; F89-T322 PolarHBondContact O-OG1 3.39Å; P318-T322 HydrophobicContact CB-CG2 3.71Å; N319-T322 PolarHBondContact ND2-OG1 3.14Å; N319-T322 WeakPolarHBondContact O-CB 3.35Å; N319-T322 PolarHBondContact O-N 3.03Å; N319-T322 PolarHBondContact OD1-N 3.1Å; N319-T322 PolarHBondContact OD1-OG1 3.4Å; I320-T322 VanDerWaalsContact C-N 3.33Å; I320-T322 PolarHBondContact O-N 3.11Å; T322-F326 HydrophobicContact CG2-CD2 3.76Å; T322-F326 HydrophobicContact CG2-CE2 3.95Å; T322-F326 WeakPolarHBondContact O-CD2 3.36Å; T322-F326 PolarHBondContact O-N 3Å; T322-F326 VanDerWaalsContact O-N 3.11Å
323F85.8Confident82.2Confident20 Ų2042 Ų429%0.08820%0.2CC..Hα-helixtrans-66-45.1175.9-82.2-65.1000112.7I218 T291 V295 P318 N319 I320 S321 C327I218-F323 HydrophobicContact CD1-CD1 4.38Å; I218-F323 HydrophobicContact CD1-CE1 3.45Å; I218-F323 VanDerWaalsContact CD1-CE1 3.45Å; I218-F323 HydrophobicContact CD1-CZ 4.02Å; I218-F323 HydrophobicContact CG1-CE1 4.36Å; T291-F323 HydrophobicContact CG2-CE1 4.5Å; T291-F323 HydrophobicContact CG2-CZ 4.3Å; V295-F323 HydrophobicContact CB-CD2 4.44Å; V295-F323 HydrophobicContact CB-CE2 4.3Å; V295-F323 HydrophobicContact CG1-CD2 4.11Å; V295-F323 HydrophobicContact CG1-CE2 4.13Å; V295-F323 HydrophobicContact CG2-CD2 3.91Å; V295-F323 HydrophobicContact CG2-CE2 3.36Å; V295-F323 HydrophobicContact CG2-CZ 4.19Å; P318-F323 HydrophobicContact CB-CD2 4.31Å; P318-F323 HydrophobicContact CB-CE2 3.97Å; P318-F323 HydrophobicContact CB-CZ 4.3Å; P318-F323 HydrophobicContact CG-CD2 4.24Å; P318-F323 HydrophobicContact CG-CE1 4.18Å; P318-F323 HydrophobicContact CG-CE2 3.44Å; P318-F323 VanDerWaalsContact CG-CE2 3.44Å; P318-F323 HydrophobicContact CG-CZ 3.42Å; P318-F323 VanDerWaalsContact CG-CZ 3.42Å; N319-F323 WeakPolarHBondContact O-CD2 3.47Å; N319-F323 PolarHBondContact O-N 2.84Å; I320-F323 WeakPolarHBondContact O-CB 3.28Å; I320-F323 PolarHBondContact O-N 3.01Å; I320-F323 VanDerWaalsContact O-N 3.11Å; S321-F323 VanDerWaalsContact C-N 3.34Å; F323-C327 WeakPolarHBondContact O-CA 3.34Å; F323-C327 WeakPolarHBondContact O-CB 3.4Å; F323-C327 PolarHBondContact O-N 3.46Å
324D87.7Confident83.7Confident5 Ų543.1 Ų43.13%0.02720%0.203CC..Iπ-helixtrans-59.3-53.6175.6-89.7-76.3000110.7Y133 L154 I320 S321 F326 R328 R329Y133-D324 HydrophobicContact CD1-CB 3.99Å; Y133-D324 WeakPolarHBondContact CD1-OD2 3.46Å; Y133-D324 HydrophobicContact CE1-CB 4.07Å; Y133-D324 WeakPolarHBondContact CE1-OD2 3.42Å; L154-D324 HydrophobicContact CD1-CB 3.93Å; I320-D324 WeakPolarHBondContact CG2-OD2 3.43Å; I320-D324 PolarHBondContact O-N 2.88Å; S321-D324 PolarHBondContact O-N 3.19Å; D324-F326 PolarHBondContact O-N 3.34Å; D324-R328 PolarHBondContact O-N 2.96Å; D324-R328 VanDerWaalsContact O-N 3.17Å; D324-R328 WeakPolarHBondContact OD1-CD 3.38Å; D324-R329 HydrophobicContact CB-CG 4.34Å; D324-R329 WeakPolarHBondContact O-CG 3.37Å; D324-R329 PolarHBondContact O-N 2.9Å; D324-R329 VanDerWaalsContact O-N 3.16Å; D324-R329 IonicContact OD1-CZ 2.74Å; D324-R329 VanDerWaalsContact OD1-CZ 3.25Å; D324-R329 IonicContact OD1-NE 3.24Å; D324-R329 PolarHBondContact OD1-NE 3.02Å; D324-R329 IonicContact OD1-NH2 3.19Å; D324-R329 PolarHBondContact OD1-NH2 3.29Å
325Y89.5Confident85.3Confident11 Ų1137.5 Ų37.54%0.04317%0.174CC..Iπ-helixtrans-55.5-47.1-176.3-177.4-125.5000112.9F128 L154 L155 S321 L331F128-Y325 AromaticContact CD2-CE2 3.57Å; F128-Y325 HydrophobicContact CD2-CE2 3.57Å; F128-Y325 HydrophobicContact CE2-CE2 4.07Å; F128-Y325 HydrophobicContact CG-CE2 4.28Å; L154-Y325 HydrophobicContact CD2-CD2 4.15Å; L155-Y325 HydrophobicContact CD2-CD1 4.27Å; L155-Y325 HydrophobicContact CD2-CD2 3.82Å; L155-Y325 HydrophobicContact CD2-CE1 4.42Å; L155-Y325 HydrophobicContact CD2-CE2 4.02Å; L155-Y325 HydrophobicContact CD2-CG 3.99Å; S321-Y325 WeakPolarHBondContact O-CB 3.38Å; S321-Y325 PolarHBondContact O-N 2.94Å; Y325-L331 HydrophobicContact CD2-CD1 3.29Å; Y325-L331 HydrophobicContact CE2-CD1 3.5Å; Y325-L331 HydrophobicContact CG-CD1 4.38Å; Y325-L331 WeakPolarHBondContact O-CD1 3.28Å
326F88.3Confident86.7Confident15 Ų1537.2 Ų37.27%0.06618%0.175CC..Iπ-helixtrans-94.3-27-174.8-68.1-57.7000115.4F89 L192 L224 F266 T322 D324F89-F326 AromaticContact CD1-CE2 3.72Å; F89-F326 HydrophobicContact CD1-CE2 3.72Å; F89-F326 HydrophobicContact CD1-CZ 4.33Å; F89-F326 AromaticContact CE1-CE2 3.39Å; F89-F326 HydrophobicContact CE1-CE2 3.39Å; F89-F326 AromaticContact CE1-CZ 3.53Å; F89-F326 HydrophobicContact CE1-CZ 3.53Å; F89-F326 HydrophobicContact CZ-CE2 4.28Å; F89-F326 HydrophobicContact CZ-CZ 4.13Å; L192-F326 HydrophobicContact CD2-CE1 4.06Å; L224-F326 HydrophobicContact CD2-CD1 3.9Å; L224-F326 HydrophobicContact CD2-CE1 4.45Å; F266-F326 HydrophobicContact CB-CB 4.36Å; F266-F326 HydrophobicContact CB-CD1 4.27Å; F266-F326 HydrophobicContact CD1-CB 3.7Å; F266-F326 AromaticContact CD1-CD1 3.62Å; F266-F326 HydrophobicContact CD1-CD1 3.62Å; F266-F326 HydrophobicContact CD1-CE1 4.38Å; F266-F326 AromaticContact CD1-CG 3.77Å; F266-F326 HydrophobicContact CD1-CG 3.77Å; F266-F326 AromaticContact CD2-CD1 3.53Å; F266-F326 HydrophobicContact CD2-CD1 3.53Å; F266-F326 AromaticContact CD2-CE1 3.83Å; F266-F326 HydrophobicContact CD2-CE1 3.83Å; F266-F326 HydrophobicContact CD2-CG 4.49Å; F266-F326 HydrophobicContact CE1-CB 4.16Å; F266-F326 AromaticContact CE1-CD1 3.66Å; F266-F326 HydrophobicContact CE1-CD1 3.66Å; F266-F326 HydrophobicContact CE1-CD2 4.27Å; F266-F326 HydrophobicContact CE1-CE1 4.04Å; F266-F326 AromaticContact CE1-CG 3.79Å; F266-F326 HydrophobicContact CE1-CG 3.79Å; F266-F326 HydrophobicContact CE1-CZ 4.48Å; F266-F326 AromaticContact CE2-CD1 3.61Å; F266-F326 HydrophobicContact CE2-CD1 3.61Å; F266-F326 AromaticContact CE2-CE1 3.46Å; F266-F326 HydrophobicContact CE2-CE1 3.46Å; F266-F326 VanDerWaalsContact CE2-CE1 3.46Å; F266-F326 HydrophobicContact CE2-CZ 4.29Å; F266-F326 HydrophobicContact CG-CB 4.1Å; F266-F326 AromaticContact CG-CD1 3.52Å; F266-F326 HydrophobicContact CG-CD1 3.52Å; F266-F326 HydrophobicContact CG-CE1 4.26Å; F266-F326 HydrophobicContact CG-CG 4.1Å; F266-F326 AromaticContact CZ-CD1 3.65Å; F266-F326 HydrophobicContact CZ-CD1 3.65Å; F266-F326 AromaticContact CZ-CE1 3.55Å; F266-F326 HydrophobicContact CZ-CE1 3.55Å; F266-F326 HydrophobicContact CZ-CE2 4.5Å; F266-F326 HydrophobicContact CZ-CG 4.18Å; F266-F326 HydrophobicContact CZ-CZ 4Å; T322-F326 HydrophobicContact CG2-CD2 3.76Å; T322-F326 HydrophobicContact CG2-CE2 3.95Å; T322-F326 WeakPolarHBondContact O-CD2 3.36Å; T322-F326 PolarHBondContact O-N 3Å; T322-F326 VanDerWaalsContact O-N 3.11Å; D324-F326 PolarHBondContact O-N 3.34Å
327C83.7Confident88.2Confident2 Ų236 Ų361%0.01417%0.166CC..Iπ-helixtrans-110.2-32.7-167.6-51.90000113.1A220 G222 Y288 F323A220-C327 CarbonylContact C-O 3.54Å; A220-C327 VanDerWaalsContact C-O 3.26Å; A220-C327 HydrophobicContact CB-CB 3.88Å; A220-C327 WeakPolarHBondContact CB-O 3.49Å; G222-C327 VanDerWaalsContact CA-O 3.28Å; G222-C327 WeakPolarHBondContact CA-O 3.46Å; G222-C327 PolarHBondContact N-O 2.95Å; Y288-C327 HydrophobicContact CE2-CB 4.15Å; F323-C327 WeakPolarHBondContact O-CA 3.34Å; F323-C327 WeakPolarHBondContact O-CB 3.4Å; F323-C327 PolarHBondContact O-N 3.46Å
328R84.6Confident89.2Confident102 Ų10232.8 Ų32.839%0.38515%0.149SC..Iπ-helixtrans-109.2-37.8-167.4-173.4-178.4177.892.9-1.9114.3Y288 D324Y288-R328 HydrophobicContact CE1-CB 4.36Å; Y288-R328 HydrophobicContact CE1-CG 4.21Å; Y288-R328 HydrophobicContact CE2-CB 4.09Å; Y288-R328 WeakPolarHBondContact OH-CB 3.47Å; Y288-R328 WeakPolarHBondContact OH-CD 3.17Å; D324-R328 PolarHBondContact O-N 2.96Å; D324-R328 VanDerWaalsContact O-N 3.17Å; D324-R328 WeakPolarHBondContact OD1-CD 3.38Å
329R88Confident89.8Confident31 Ų3134.4 Ų34.412%0.11715%0.15CC..  trans-83.1151.3-164.8-60.2-65.2159.6177.37.7113Y133 D135 L154 G222 V223 D324 L331Y133-R329 VanDerWaalsContact C-CZ 3.41Å; Y133-R329 VanDerWaalsContact C-NH1 3.29Å; Y133-R329 PolarHBondContact O-NH1 3.32Å; Y133-R329 PolarHBondContact O-NH2 3.27Å; D135-R329 WeakPolarHBondContact OD1-CA 3.37Å; D135-R329 WeakPolarHBondContact OD1-CD 3.24Å; L154-R329 HydrophobicContact CD1-CG 4.43Å; G222-R329 CarbonylContact C-O 3.58Å; G222-R329 WeakPolarHBondContact CA-O 3.16Å; V223-R329 PolarHBondContact N-O 3.43Å; D324-R329 HydrophobicContact CB-CG 4.34Å; D324-R329 WeakPolarHBondContact O-CG 3.37Å; D324-R329 PolarHBondContact O-N 2.9Å; D324-R329 VanDerWaalsContact O-N 3.16Å; D324-R329 IonicContact OD1-CZ 2.74Å; D324-R329 VanDerWaalsContact OD1-CZ 3.25Å; D324-R329 IonicContact OD1-NE 3.24Å; D324-R329 PolarHBondContact OD1-NE 3.02Å; D324-R329 IonicContact OD1-NH2 3.19Å; D324-R329 PolarHBondContact OD1-NH2 3.29Å; R329-L331 HydrophobicContact CB-CD1 3.92Å; R329-L331 HydrophobicContact CB-CD2 3.82Å; R329-L331 HydrophobicContact CB-CG 3.6Å
330Y91.5Very high90.4Very high107 Ų10741.1 Ų41.142%0.4219%0.185SC..EExtended strand (participates in β ladder)trans-92.3111.4163-64.2-97.7000107.8D135 C136 V223D135-Y330 PolarHBondContact OD1-N 3.46Å; C136-Y330 CarbonylContact C-O 3.49Å; C136-Y330 VanDerWaalsContact C-O 3.3Å; C136-Y330 PolarHBondContact N-O 2.8Å; C136-Y330 CarbonylContact O-C 3.59Å; V223-Y330 HydrophobicContact CG2-CD1 3.34Å; V223-Y330 HydrophobicContact CG2-CE1 3.92Å; V223-Y330 HydrophobicContact CG2-CG 4.12Å; V223-Y330 CarbonylContact O-C 3.52Å; V223-Y330 WeakPolarHBondContact O-CA 3.4Å
331L92.2Very high90.8Very high0 Ų041.4 Ų41.40%019%0.187CC..EExtended strand (participates in β ladder)trans-128.588.1-171.1-62.2177.8000111.3F128 L131 C136 L154 V223 L224 E225 Y325 R329F128-L331 HydrophobicContact CD1-CB 4.39Å; F128-L331 HydrophobicContact CD1-CD2 4.3Å; F128-L331 HydrophobicContact CE1-CB 3.78Å; F128-L331 HydrophobicContact CE1-CD2 4.45Å; F128-L331 HydrophobicContact CE2-CB 4.32Å; F128-L331 HydrophobicContact CZ-CB 3.74Å; L131-L331 HydrophobicContact CD1-CD2 3.91Å; C136-L331 HydrophobicContact CB-CD2 4.11Å; L154-L331 HydrophobicContact CD2-CD1 4.2Å; L154-L331 HydrophobicContact CD2-CD2 3.98Å; V223-L331 PolarHBondContact O-N 3.44Å; L224-L331 CarbonylContact C-O 3.59Å; L224-L331 VanDerWaalsContact CA-O 3.31Å; L224-L331 WeakPolarHBondContact CA-O 3.32Å; L224-L331 HydrophobicContact CB-CB 4.05Å; E225-L331 PolarHBondContact N-O 3.47Å; Y325-L331 HydrophobicContact CD2-CD1 3.29Å; Y325-L331 HydrophobicContact CE2-CD1 3.5Å; Y325-L331 HydrophobicContact CG-CD1 4.38Å; Y325-L331 WeakPolarHBondContact O-CD1 3.28Å; R329-L331 HydrophobicContact CB-CD1 3.92Å; R329-L331 HydrophobicContact CB-CD2 3.82Å; R329-L331 HydrophobicContact CB-CG 3.6Å
332Y92.2Very high91.3Very high80 Ų8041.8 Ų41.831%0.31419%0.189SC..EExtended strand (participates in β ladder)trans-144.5145.3173.959.5-86.2000109.8C136 A137 G138 P263C136-Y332 CarbonylContact C-O 3.52Å; C136-Y332 PolarHBondContact O-N 2.83Å; A137-Y332 VanDerWaalsContact C-CE2 3.44Å; A137-Y332 VanDerWaalsContact CA-CZ 3.4Å; A137-Y332 HydrophobicContact CB-CE1 4.02Å; A137-Y332 HydrophobicContact CB-CE2 4.4Å; A137-Y332 WeakPolarHBondContact CB-OH 3.35Å; G138-Y332 WeakPolarHBondContact CA-O 3.46Å; G138-Y332 VanDerWaalsContact N-CD2 3.3Å; G138-Y332 PolarHBondContact N-O 3.47Å; P263-Y332 HydrophobicContact CB-CD1 4.31Å; P263-Y332 HydrophobicContact CG-CD1 3.92Å; P263-Y332 HydrophobicContact CG-CD2 4.44Å; P263-Y332 HydrophobicContact CG-CG 3.74Å
333V92.5Very high91.6Very high7 Ų747.2 Ų47.24%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-117.3163.2-169.9-70.70000111.8A127 F128 T191 E225 N256 N258A127-V333 HydrophobicContact CB-CG1 4.03Å; A127-V333 HydrophobicContact CB-CG2 4.34Å; F128-V333 HydrophobicContact CE1-CG1 4.02Å; T191-V333 HydrophobicContact CG2-CG2 3.75Å; E225-V333 PolarHBondContact OE2-N 3.48Å; N256-V333 HydrophobicContact CB-CB 4.25Å; N256-V333 HydrophobicContact CB-CG2 3.89Å; N258-V333 HydrophobicContact CB-CG2 4.28Å; N258-V333 PolarHBondContact ND2-O 2.88Å
334N92.3Very high92.1Very high65 Ų6546.3 Ų46.335%0.34821%0.213SC..  trans-92126.4169.6-172.8-39.4000109.6G138 L139 N256 M336G138-N334 WeakPolarHBondContact O-CB 3.33Å; L139-N334 PolarHBondContact O-N 2.79Å; N256-N334 WeakPolarHBondContact CB-O 3.44Å; N256-N334 PolarHBondContact ND2-O 3.45Å; N334-M336 WeakPolarHBondContact OD1-CA 3.25Å; N334-M336 WeakPolarHBondContact OD1-CB 3.38Å; N334-M336 PolarHBondContact OD1-N 2.96Å
335S92.8Very high92.4Very high4 Ų452.8 Ų52.83%0.02824%0.241CC..  trans-107.112.5177.263.40000114.1N258 K337 A338 R339N258-S335 WeakPolarHBondContact OD1-CB 3.16Å; N258-S335 PolarHBondContact OD1-OG 3.28Å; S335-K337 PolarHBondContact O-N 2.63Å; S335-K337 VanDerWaalsContact O-N 3.12Å; S335-A338 WeakPolarHBondContact O-CB 3.17Å; S335-A338 PolarHBondContact O-N 3.05Å; S335-R339 PolarHBondContact O-N 3.45Å; S335-R339 VanDerWaalsContact O-N 3.15Å
336M93.8Very high92.6Very high99 Ų9953.4 Ų53.449%0.48825%0.247SC..Hα-helixtrans-53.7-36.7-178.9-17662.969.500111.9N334 R339 L340N334-M336 WeakPolarHBondContact OD1-CA 3.25Å; N334-M336 WeakPolarHBondContact OD1-CB 3.38Å; N334-M336 PolarHBondContact OD1-N 2.96Å; M336-R339 WeakPolarHBondContact O-CB 3.31Å; M336-R339 PolarHBondContact O-N 3.2Å; M336-L340 HydrophobicContact CG-CD1 3.87Å; M336-L340 HydrophobicContact CG-CG 4.26Å; M336-L340 WeakPolarHBondContact O-CG 3.49Å; M336-L340 PolarHBondContact O-N 2.9Å; M336-L340 HydrophobicContact SD-CD1 4.31Å; M336-L340 HydrophobicContact SD-CG 4.24Å
337K94.9Very high93Very high51 Ų5156.1 Ų56.122%0.22226%0.258CS..Hα-helixtrans-62.5-43.6177.3-169.3-178.5174.8-175.60112.2E253 V254 V255 S335 R339 L340 L341E253-K337 WeakPolarHBondContact OE2-CE 3.31Å; E253-K337 IonicContact OE2-NZ 2.69Å; E253-K337 PolarHBondContact OE2-NZ 3.47Å; V254-K337 WeakPolarHBondContact O-CD 3.27Å; V254-K337 VanDerWaalsContact O-CE 3.31Å; V254-K337 WeakPolarHBondContact O-CE 3.35Å; V254-K337 PolarHBondContact O-NZ 3.47Å; V255-K337 HydrophobicContact CG1-CB 4.46Å; V255-K337 HydrophobicContact CG1-CD 4.07Å; V255-K337 HydrophobicContact CG1-CG 4.01Å; S335-K337 PolarHBondContact O-N 2.63Å; S335-K337 VanDerWaalsContact O-N 3.12Å; K337-R339 VanDerWaalsContact C-N 3.28Å; K337-R339 PolarHBondContact O-N 3.07Å; K337-L340 PolarHBondContact O-N 3.31Å; K337-L341 WeakPolarHBondContact O-CB 3.48Å; K337-L341 PolarHBondContact O-N 3.24Å
338A95.9Very high93.5Very high0 Ų057.8 Ų57.80%027%0.265CS..Hα-helixtrans-61.2-39.4174.200000111.5M235 V255 S335 L342 Y344M235-A338 HydrophobicContact CE-CB 3.57Å; M235-A338 HydrophobicContact SD-CB 4.14Å; V255-A338 HydrophobicContact CB-CB 4.11Å; V255-A338 HydrophobicContact CG1-CB 4.46Å; S335-A338 WeakPolarHBondContact O-CB 3.17Å; S335-A338 PolarHBondContact O-N 3.05Å; A338-L342 WeakPolarHBondContact O-CA 3.48Å; A338-L342 VanDerWaalsContact O-CB 3.3Å; A338-L342 WeakPolarHBondContact O-CB 3.47Å; A338-L342 PolarHBondContact O-N 3.21Å; A338-Y344 HydrophobicContact CB-CD1 4.44Å; A338-Y344 WeakPolarHBondContact O-CB 3.29Å; A338-Y344 PolarHBondContact O-N 3.14Å
339R94.6Very high93.9Very high72 Ų7257.8 Ų57.827%0.27227%0.269SS..Hα-helixtrans-64.2-40.4177.4-61.3-178.5177.2-79.21.3112.5C260 S335 M336 K337 N343C260-R339 PolarHBondContact SG-NH2 3.15Å; S335-R339 PolarHBondContact O-N 3.45Å; S335-R339 VanDerWaalsContact O-N 3.15Å; M336-R339 WeakPolarHBondContact O-CB 3.31Å; M336-R339 PolarHBondContact O-N 3.2Å; K337-R339 VanDerWaalsContact C-N 3.28Å; K337-R339 PolarHBondContact O-N 3.07Å; R339-N343 VanDerWaalsContact O-CA 3.26Å; R339-N343 WeakPolarHBondContact O-CA 3.31Å; R339-N343 PolarHBondContact O-N 3.3Å
340L95.7Very high94Very high141 Ų14157.7 Ų57.774%0.73827%0.272SS*.Hα-helixtrans-80.7-42.8-178.6-66.8174.1000112.9M336 K337M336-L340 HydrophobicContact CG-CD1 3.87Å; M336-L340 HydrophobicContact CG-CG 4.26Å; M336-L340 WeakPolarHBondContact O-CG 3.49Å; M336-L340 PolarHBondContact O-N 2.9Å; M336-L340 HydrophobicContact SD-CD1 4.31Å; M336-L340 HydrophobicContact SD-CG 4.24Å; K337-L340 PolarHBondContact O-N 3.31Å
341L96.1Very high94Very high43 Ų4358.7 Ų58.723%0.22528%0.281CS..Hα-helixtrans-81.2-42.7-175.5-177.365.2000112.4M242 E253 V255 K337M242-L341 HydrophobicContact CE-CD1 4.39Å; E253-L341 HydrophobicContact CB-CD2 3.86Å; E253-L341 HydrophobicContact CG-CD2 3.96Å; V255-L341 HydrophobicContact CG1-CD2 4.14Å; K337-L341 WeakPolarHBondContact O-CB 3.48Å; K337-L341 PolarHBondContact O-N 3.24Å
342L96.8Very high94Very high10 Ų1063.6 Ų63.65%0.05231%0.307CS..SBendtrans-105.61.4-172.5-52.6-178000113.1I186 M235 L238 A239 M242 V255 A338 Y344I186-L342 HydrophobicContact CD1-CD2 4.34Å; M235-L342 HydrophobicContact CG-CD1 3.89Å; M235-L342 HydrophobicContact SD-CD1 4.4Å; L238-L342 HydrophobicContact CB-CB 4.25Å; A239-L342 HydrophobicContact CB-CD1 3.95Å; A239-L342 HydrophobicContact CB-CD2 4.3Å; M242-L342 HydrophobicContact CB-CD2 3.74Å; M242-L342 HydrophobicContact CG-CD2 3.97Å; V255-L342 HydrophobicContact CG2-CD1 3.94Å; A338-L342 WeakPolarHBondContact O-CA 3.48Å; A338-L342 VanDerWaalsContact O-CB 3.3Å; A338-L342 WeakPolarHBondContact O-CB 3.47Å; A338-L342 PolarHBondContact O-N 3.21Å; L342-Y344 PolarHBondContact O-N 2.84Å
343N95.7Very high94.2Very high126 Ų12660 Ų6067%0.67429%0.293SS*.  trans51.733.3-167.7-167.829.1000112.5R339 K345R339-N343 VanDerWaalsContact O-CA 3.26Å; R339-N343 WeakPolarHBondContact O-CA 3.31Å; R339-N343 PolarHBondContact O-N 3.3Å; N343-K345 PolarHBondContact O-N 3.43Å
344Y95.9Very high94.2Very high1 Ų161.9 Ų61.90%0.00430%0.302CS..  trans-69.6128.9-171.8175.6-104.3000112.5Y234 M235 L238 N258 A338 L342 P346Y234-Y344 HydrophobicContact CD1-CD2 4.43Å; Y234-Y344 HydrophobicContact CD1-CE2 4.16Å; M235-Y344 HydrophobicContact CB-CD2 3.89Å; M235-Y344 HydrophobicContact CB-CE2 3.69Å; M235-Y344 HydrophobicContact CE-CD1 3.23Å; M235-Y344 HydrophobicContact CE-CD2 3.51Å; M235-Y344 HydrophobicContact CE-CE1 3.31Å; M235-Y344 HydrophobicContact CE-CE2 3.58Å; M235-Y344 HydrophobicContact CE-CG 3.32Å; M235-Y344 VanDerWaalsContact CE-CZ 3.46Å; M235-Y344 HydrophobicContact CG-CD2 4.02Å; M235-Y344 HydrophobicContact CG-CE2 4.24Å; L238-Y344 HydrophobicContact CD1-CD2 3.9Å; N258-Y344 WeakPolarHBondContact O-CE1 3.38Å; A338-Y344 HydrophobicContact CB-CD1 4.44Å; A338-Y344 WeakPolarHBondContact O-CB 3.29Å; A338-Y344 PolarHBondContact O-N 3.14Å; L342-Y344 PolarHBondContact O-N 2.84Å; Y344-P346 HydrophobicContact CE1-CG 4.15Å
345K94.1Very high94.3Very high142 Ų14264.4 Ų64.462%0.61731%0.312SS*.  trans-135.6136.6162.9-63.9179.6-175.8176.30107.4Y234 N343 K347Y234-K345 WeakPolarHBondContact CE1-O 3.35Å; N343-K345 PolarHBondContact O-N 3.43Å; K345-K347 PolarHBondContact O-N 3.43Å
346P94Very high94.4Very high24 Ų2468.2 Ų68.216%0.15633%0.326CS..  trans-51.4127.1175.9-28.736.5000111.6E259 Y344E259-P346 HydrophobicContact CB-CG 4.17Å; E259-P346 HydrophobicContact CG-CB 4.09Å; E259-P346 HydrophobicContact CG-CG 3.9Å; Y344-P346 HydrophobicContact CE1-CG 4.15Å
347K95Very high94.5Very high71 Ų7163.5 Ų63.531%0.30930%0.303SS..SBendtrans-70.7-41.6175.8173.8178.9168.4-172.10110.3E24 E27 L28 N231 Y234 K345E24-K347 WeakPolarHBondContact OE2-CD 3.31Å; E24-K347 IonicContact OE2-NZ 2.6Å; E24-K347 PolarHBondContact OE2-NZ 3.22Å; E27-K347 IonicContact OE2-NZ 2.83Å; E27-K347 PolarHBondContact OE2-NZ 3.42Å; L28-K347 HydrophobicContact CD1-CD 4.43Å; N231-K347 PolarHBondContact OD1-N 3.44Å; Y234-K347 HydrophobicContact CD1-CB 3.74Å; Y234-K347 HydrophobicContact CD2-CB 4.44Å; Y234-K347 HydrophobicContact CD2-CD 4.19Å; Y234-K347 HydrophobicContact CE1-CB 4.03Å; Y234-K347 HydrophobicContact CG-CB 3.96Å; Y234-K347 HydrophobicContact CG-CD 4.39Å; K345-K347 PolarHBondContact O-N 3.43Å
348Y95.2Very high94.5Very high37 Ų3762.8 Ų62.815%0.14530%0.301CS..SBendtrans-103.4138.3-179-52.8-81000110.9E24 Y228 N231 T353E24-Y348 WeakPolarHBondContact OE1-CE2 3.46Å; E24-Y348 VanDerWaalsContact OE1-CZ 3.3Å; E24-Y348 PolarHBondContact OE1-OH 3.18Å; E24-Y348 PolarHBondContact OE2-OH 2.78Å; Y228-Y348 AromaticContact CD1-CD2 3.76Å; Y228-Y348 HydrophobicContact CD1-CD2 3.76Å; Y228-Y348 HydrophobicContact CD1-CG 4.04Å; Y228-Y348 HydrophobicContact CE1-CD1 4.44Å; Y228-Y348 AromaticContact CE1-CD2 3.58Å; Y228-Y348 HydrophobicContact CE1-CD2 3.58Å; Y228-Y348 HydrophobicContact CE1-CE2 4.06Å; Y228-Y348 AromaticContact CE1-CG 3.8Å; Y228-Y348 HydrophobicContact CE1-CG 3.8Å; N231-Y348 PolarHBondContact ND2-O 2.93Å; N231-Y348 WeakPolarHBondContact OD1-CD2 3.42Å; N231-Y348 PolarHBondContact OD1-N 2.87Å; Y348-T353 HydrophobicContact CG-CG2 4.26Å
349Q93.7Very high94.5Very high103 Ų10369.2 Ų69.248%0.48133%0.331SS..  trans-84141.7178.8-59.9-54.1-57.400111.3E351 D352 T353Q349-E351 VanDerWaalsContact C-N 3.31Å; Q349-E351 PolarHBondContact O-N 2.74Å; Q349-D352 PolarHBondContact O-N 2.94Å; Q349-T353 WeakPolarHBondContact O-CG2 3.43Å; Q349-T353 PolarHBondContact O-N 3.24Å; Q349-T353 PolarHBondContact O-OG1 3.47Å
350P89.3Confident94.5Very high28 Ų2867.7 Ų67.718%0.18233%0.325CS..Hα-helixtrans-55.4-37.1-173.9-28.836.8000115.6T261 T353 M354T261-P350 HydrophobicContact CG2-CB 3.74Å; T261-P350 HydrophobicContact CG2-CG 3.41Å; T261-P350 VanDerWaalsContact CG2-CG 3.41Å; P350-T353 VanDerWaalsContact C-OG1 3.3Å; P350-T353 VanDerWaalsContact CA-OG1 3.25Å; P350-T353 WeakPolarHBondContact CA-OG1 3.31Å; P350-T353 PolarHBondContact O-OG1 3.43Å; P350-M354 VanDerWaalsContact O-CB 3.28Å; P350-M354 WeakPolarHBondContact O-CB 3.22Å; P350-M354 PolarHBondContact O-N 2.75Å
351E90.6Very high94.5Very high129 Ų12961.1 Ų61.160%0.60329%0.29SS*.Hα-helixtrans-66.7-44.4-179.6-67.772-159.600111.3Q349 Q355Q349-E351 VanDerWaalsContact C-N 3.31Å; Q349-E351 PolarHBondContact O-N 2.74Å; E351-Q355 WeakPolarHBondContact O-CG 3.43Å; E351-Q355 PolarHBondContact O-N 2.84Å; E351-Q355 VanDerWaalsContact O-N 3.14Å
352D93.9Very high94.4Very high103 Ų10365 Ų6555%0.55131%0.305SS*.Hα-helixtrans-68.7-42179.9-63.7-30.7000111.1Q349 Q355 R356Q349-D352 PolarHBondContact O-N 2.94Å; D352-Q355 PolarHBondContact O-N 3.48Å; D352-R356 VanDerWaalsContact O-CB 3.27Å; D352-R356 WeakPolarHBondContact O-CB 3.34Å; D352-R356 PolarHBondContact O-N 2.88Å
353T94.7Very high94.2Very high3 Ų368 Ų682%0.01833%0.332CS..Hα-helixtrans-65.8-39.2178.551.60000111.5Y194 Y228 Y348 Q349 P350 R356 T357Y194-T353 PolarHBondContact OH-OG1 3.06Å; Y228-T353 HydrophobicContact CD1-CG2 3.35Å; Y228-T353 HydrophobicContact CD2-CG2 3.82Å; Y228-T353 HydrophobicContact CE1-CG2 3.7Å; Y228-T353 HydrophobicContact CE2-CG2 4.13Å; Y228-T353 HydrophobicContact CG-CG2 3.42Å; Y228-T353 VanDerWaalsContact CG-CG2 3.42Å; Y348-T353 HydrophobicContact CG-CG2 4.26Å; Q349-T353 WeakPolarHBondContact O-CG2 3.43Å; Q349-T353 PolarHBondContact O-N 3.24Å; Q349-T353 PolarHBondContact O-OG1 3.47Å; P350-T353 VanDerWaalsContact C-OG1 3.3Å; P350-T353 VanDerWaalsContact CA-OG1 3.25Å; P350-T353 WeakPolarHBondContact CA-OG1 3.31Å; P350-T353 PolarHBondContact O-OG1 3.43Å; T353-R356 PolarHBondContact O-N 3.48Å; T353-T357 VanDerWaalsContact O-CB 3.32Å; T353-T357 WeakPolarHBondContact O-CB 3.26Å; T353-T357 PolarHBondContact O-N 2.93Å; T353-T357 PolarHBondContact O-OG1 3.48Å
354M93.1Very high94Very high47 Ų4764.1 Ų64.123%0.23231%0.311CS..Hα-helixtrans-61.8-48174.8178.957.167.200111.2Y194 F269 F273 P350 T357 L358Y194-M354 HydrophobicContact CE2-CE 4.39Å; F269-M354 HydrophobicContact CD2-CE 3.76Å; F269-M354 HydrophobicContact CE2-CE 3.37Å; F269-M354 HydrophobicContact CZ-CE 4.24Å; F273-M354 HydrophobicContact CE1-SD 4.5Å; F273-M354 HydrophobicContact CE2-CE 4.4Å; F273-M354 HydrophobicContact CE2-SD 4.02Å; F273-M354 HydrophobicContact CZ-CE 4.36Å; F273-M354 HydrophobicContact CZ-SD 3.62Å; P350-M354 VanDerWaalsContact O-CB 3.28Å; P350-M354 WeakPolarHBondContact O-CB 3.22Å; P350-M354 PolarHBondContact O-N 2.75Å; M354-T357 PolarHBondContact O-N 3.32Å; M354-L358 WeakPolarHBondContact O-CB 3.37Å; M354-L358 PolarHBondContact O-N 2.79Å
355Q95.2Very high93.6Very high119 Ų11964.8 Ų64.856%0.55632%0.316SS*.Hα-helixtrans-62.3-45177.6-71.3-178.39.200112.2E351 D352 T357 L358 Q359E351-Q355 WeakPolarHBondContact O-CG 3.43Å; E351-Q355 PolarHBondContact O-N 2.84Å; E351-Q355 VanDerWaalsContact O-N 3.14Å; D352-Q355 PolarHBondContact O-N 3.48Å; Q355-T357 PolarHBondContact O-N 3.36Å; Q355-L358 PolarHBondContact O-N 2.87Å; Q355-Q359 WeakPolarHBondContact O-CG 3.34Å; Q355-Q359 PolarHBondContact O-N 2.84Å
356R94.9Very high93.2Very high84 Ų8462.5 Ų62.532%0.31732%0.324SS..Hα-helixtrans-60.8-44.6177.8-171.2176.5178.7-178.7-2.1111.6E196 D352 T353 Q359 W360E196-R356 HydrophobicContact CG-CG 4.26Å; E196-R356 WeakPolarHBondContact OE1-CD 3.48Å; E196-R356 WeakPolarHBondContact OE1-CG 3.49Å; E196-R356 IonicContact OE1-CZ 2.7Å; E196-R356 IonicContact OE1-NE 2.9Å; E196-R356 PolarHBondContact OE1-NE 3.4Å; E196-R356 IonicContact OE1-NH2 2.64Å; E196-R356 PolarHBondContact OE1-NH2 3.38Å; D352-R356 VanDerWaalsContact O-CB 3.27Å; D352-R356 WeakPolarHBondContact O-CB 3.34Å; D352-R356 PolarHBondContact O-N 2.88Å; T353-R356 PolarHBondContact O-N 3.48Å; R356-Q359 PolarHBondContact O-N 3.42Å; R356-W360 PolarHBondContact O-N 2.91Å
357T95.5Very high92.6Very high0 Ų068.9 Ų68.90%035%0.351CS..Hα-helixtrans-63.3-43.9176.3-53.20000111.1Y194 G195 F273 T353 M354 Q355 Q359 W360 W361Y194-T357 HydrophobicContact CD2-CG2 4.29Å; G195-T357 WeakPolarHBondContact CA-OG1 3.48Å; G195-T357 WeakPolarHBondContact O-CG2 3.37Å; F273-T357 HydrophobicContact CE1-CG2 3.69Å; F273-T357 HydrophobicContact CZ-CG2 3.93Å; T353-T357 VanDerWaalsContact O-CB 3.32Å; T353-T357 WeakPolarHBondContact O-CB 3.26Å; T353-T357 PolarHBondContact O-N 2.93Å; T353-T357 PolarHBondContact O-OG1 3.48Å; M354-T357 PolarHBondContact O-N 3.32Å; Q355-T357 PolarHBondContact O-N 3.36Å; T357-Q359 PolarHBondContact O-N 3.01Å; T357-W360 PolarHBondContact O-N 2.87Å; T357-W361 VanDerWaalsContact O-CB 3.29Å; T357-W361 WeakPolarHBondContact O-CB 3.39Å; T357-W361 PolarHBondContact O-N 3.27Å
358L95.5Very high91.7Very high36 Ų3669.3 Ų69.319%0.18835%0.351CS..Hα-helixtrans-64.1-39.4179-173.864.1000112.4P272 F273 A276 M354 Q355 W361 K362P272-L358 HydrophobicContact CB-CD1 4.11Å; P272-L358 HydrophobicContact CB-CD2 4.36Å; P272-L358 WeakPolarHBondContact O-CD1 3.11Å; F273-L358 HydrophobicContact CD1-CD1 4.02Å; F273-L358 HydrophobicContact CE1-CB 4.5Å; F273-L358 HydrophobicContact CE1-CD1 4.32Å; A276-L358 HydrophobicContact CB-CD1 3.65Å; M354-L358 WeakPolarHBondContact O-CB 3.37Å; M354-L358 PolarHBondContact O-N 2.79Å; Q355-L358 PolarHBondContact O-N 2.87Å; L358-W361 PolarHBondContact O-N 2.9Å; L358-K362 WeakPolarHBondContact O-CG 3.49Å; L358-K362 PolarHBondContact O-N 3.2Å
359Q95.1Very high91.6Very high135 Ų13570.9 Ų70.963%0.63136%0.362SS*.Hα-helixtrans-63.5-46.7174.7-73.9174.23.800111.4Q355 R356 T357 W361 K362 A363Q355-Q359 WeakPolarHBondContact O-CG 3.34Å; Q355-Q359 PolarHBondContact O-N 2.84Å; R356-Q359 PolarHBondContact O-N 3.42Å; T357-Q359 PolarHBondContact O-N 3.01Å; Q359-W361 VanDerWaalsContact C-N 3.32Å; Q359-W361 PolarHBondContact O-N 3.47Å; Q359-K362 PolarHBondContact O-N 3.22Å; Q359-A363 PolarHBondContact O-N 2.95Å
360W94.6Very high91.4Very high40 Ų4069.2 Ų69.215%0.15236%0.355CS..Hα-helixtrans-61-43.8175.6-176.292.1000111.4E196 G197 R356 T357 K362 A363 N364 Y368E196-W360 HydrophobicContact CB-CB 3.9Å; E196-W360 HydrophobicContact CB-CD2 3.88Å; E196-W360 HydrophobicContact CB-CG 3.51Å; E196-W360 HydrophobicContact CG-CB 3.54Å; E196-W360 HydrophobicContact CG-CG 3.74Å; G197-W360 VanDerWaalsContact CA-CZ2 3.45Å; G197-W360 VanDerWaalsContact N-CE2 3.32Å; G197-W360 VanDerWaalsContact N-CZ2 3.26Å; G197-W360 VanDerWaalsContact N-CZ3 3.31Å; R356-W360 PolarHBondContact O-N 2.91Å; T357-W360 PolarHBondContact O-N 2.87Å; W360-K362 PolarHBondContact O-N 3.45Å; W360-A363 PolarHBondContact O-N 2.94Å; W360-N364 HydrophobicContact CD2-CB 4.41Å; W360-N364 HydrophobicContact CE3-CB 4.4Å; W360-N364 HydrophobicContact CH2-CB 3.95Å; W360-N364 HydrophobicContact CZ2-CB 3.98Å; W360-N364 HydrophobicContact CZ3-CB 4.19Å; W360-N364 PolarHBondContact NE1-ND2 3.47Å; W360-N364 PolarHBondContact O-N 2.83Å; W360-N364 VanDerWaalsContact O-N 3.11Å; W360-N364 PolarHBondContact O-ND2 3.31Å; W360-Y368 AromaticContact CH2-CE2 3.76Å; W360-Y368 HydrophobicContact CH2-CE2 3.76Å; W360-Y368 WeakPolarHBondContact CH2-OH 3.46Å; W360-Y368 HydrophobicContact CZ3-CE2 4.11Å
361W94.9Very high91.6Very high2 Ų271.5 Ų71.51%0.00837%0.365CS..Hα-helixtrans-60-47.4178.1-176.8-108.8000111.8L202 M206 F273 S277 T357 L358 Q359 A363 N364 C365 Y368L202-W361 HydrophobicContact CB-CE3 4.13Å; L202-W361 HydrophobicContact CB-CH2 3.42Å; L202-W361 VanDerWaalsContact CB-CH2 3.42Å; L202-W361 HydrophobicContact CB-CZ2 3.99Å; L202-W361 HydrophobicContact CB-CZ3 3.49Å; L202-W361 VanDerWaalsContact CB-CZ3 3.49Å; L202-W361 HydrophobicContact CD1-CD2 4.04Å; L202-W361 HydrophobicContact CD1-CE3 3.66Å; L202-W361 HydrophobicContact CD1-CH2 4.45Å; L202-W361 HydrophobicContact CD1-CZ3 3.9Å; L202-W361 HydrophobicContact CG-CH2 4.48Å; L202-W361 HydrophobicContact CG-CZ3 4.33Å; M206-W361 HydrophobicContact CG-CH2 3.54Å; M206-W361 HydrophobicContact CG-CZ2 3.28Å; M206-W361 HydrophobicContact SD-CZ2 3.76Å; F273-W361 HydrophobicContact CD1-CB 4.05Å; F273-W361 AromaticContact CD1-CD1 3.88Å; F273-W361 AromaticContact CD1-CG 3.88Å; F273-W361 HydrophobicContact CD1-CG 3.88Å; F273-W361 HydrophobicContact CE1-CB 4.48Å; F273-W361 PolarHBondContact O-NE1 2.92Å; S277-W361 PolarHBondContact OG-NE1 3.24Å; T357-W361 VanDerWaalsContact O-CB 3.29Å; T357-W361 WeakPolarHBondContact O-CB 3.39Å; T357-W361 PolarHBondContact O-N 3.27Å; L358-W361 PolarHBondContact O-N 2.9Å; Q359-W361 VanDerWaalsContact C-N 3.32Å; Q359-W361 PolarHBondContact O-N 3.47Å; W361-A363 PolarHBondContact O-N 3.06Å; W361-N364 PolarHBondContact O-N 3.45Å; W361-C365 HydrophobicContact CD2-CB 3.93Å; W361-C365 HydrophobicContact CE3-CB 4.44Å; W361-C365 HydrophobicContact CG-CB 4.33Å; W361-C365 HydrophobicContact CH2-CB 4.32Å; W361-C365 HydrophobicContact CZ2-CB 3.83Å; W361-C365 WeakPolarHBondContact O-CA 3.15Å; W361-C365 WeakPolarHBondContact O-CB 3.27Å; W361-C365 PolarHBondContact O-N 3.44Å; W361-Y368 HydrophobicContact CH2-CD2 4.11Å; W361-Y368 HydrophobicContact CH2-CG 4.34Å; W361-Y368 AromaticContact CZ3-CD2 3.67Å; W361-Y368 HydrophobicContact CZ3-CD2 3.67Å; W361-Y368 HydrophobicContact CZ3-CE2 4.01Å; W361-Y368 HydrophobicContact CZ3-CG 4.25Å
362K93.9Very high91.6Very high124 Ų12468.1 Ų68.154%0.53935%0.351SS..Hα-helixtrans-56.1-35.4175.7-76.6174179.3-179.10113.4A276 L358 Q359 W360A276-K362 HydrophobicContact CB-CD 4.37Å; A276-K362 HydrophobicContact CB-CG 3.66Å; L358-K362 WeakPolarHBondContact O-CG 3.49Å; L358-K362 PolarHBondContact O-N 3.2Å; Q359-K362 PolarHBondContact O-N 3.22Å; W360-K362 PolarHBondContact O-N 3.45Å
363A93Very high91.5Very high75 Ų7565.9 Ų65.962%0.6234%0.339SS*.Hα-helixtrans-78.8-23.5179.600000113.3Q359 W360 W361Q359-A363 PolarHBondContact O-N 2.95Å; W360-A363 PolarHBondContact O-N 2.94Å; W361-A363 PolarHBondContact O-N 3.06Å
364N92.4Very high91.3Very high43 Ų4370.1 Ų70.123%0.2336%0.36CS..Hα-helixtrans-121.4-11.6-168.6-66-83.5000114.7W360 W361 A366 H367 Y368W360-N364 HydrophobicContact CD2-CB 4.41Å; W360-N364 HydrophobicContact CE3-CB 4.4Å; W360-N364 HydrophobicContact CH2-CB 3.95Å; W360-N364 HydrophobicContact CZ2-CB 3.98Å; W360-N364 HydrophobicContact CZ3-CB 4.19Å; W360-N364 PolarHBondContact NE1-ND2 3.47Å; W360-N364 PolarHBondContact O-N 2.83Å; W360-N364 VanDerWaalsContact O-N 3.11Å; W360-N364 PolarHBondContact O-ND2 3.31Å; W361-N364 PolarHBondContact O-N 3.45Å; N364-A366 PolarHBondContact O-N 3.45Å; N364-H367 PolarHBondContact O-N 3.3Å; N364-Y368 HydrophobicContact CB-CE2 4.48Å; N364-Y368 WeakPolarHBondContact O-CD2 3.43Å
365C87.1Confident91.1Very high16 Ų1671.8 Ų71.811%0.10837%0.369CS..G310 helixtrans-60.7-23.1-173.563.80000113.7W361 H367 Y368W361-C365 HydrophobicContact CD2-CB 3.93Å; W361-C365 HydrophobicContact CE3-CB 4.44Å; W361-C365 HydrophobicContact CG-CB 4.33Å; W361-C365 HydrophobicContact CH2-CB 4.32Å; W361-C365 HydrophobicContact CZ2-CB 3.83Å; W361-C365 WeakPolarHBondContact O-CA 3.15Å; W361-C365 WeakPolarHBondContact O-CB 3.27Å; W361-C365 PolarHBondContact O-N 3.44Å; C365-H367 VanDerWaalsContact C-N 3.26Å; C365-H367 PolarHBondContact O-N 2.83Å; C365-Y368 PolarHBondContact O-N 2.97Å
366A85.8Confident90.8Very high94 Ų9468.2 Ų68.278%0.77736%0.355SS*.G310 helixtrans-69.9-21.1177.300000113.6N364 Y368N364-A366 PolarHBondContact O-N 3.45Å; A366-Y368 VanDerWaalsContact C-N 3.34Å
367H81.9Confident90.5Very high158 Ų15866.8 Ų66.873%0.73136%0.358SS*.G310 helixtrans-83.8-12.7177.4-62.6-59.4000113.3N364 C365N364-H367 PolarHBondContact O-N 3.3Å; C365-H367 VanDerWaalsContact C-N 3.26Å; C365-H367 PolarHBondContact O-N 2.83Å
368Y76Confident90Very high79 Ų7972.9 Ų72.931%0.3139%0.39SS..  trans-94.50-177.1-74.1-69.7000112.9N199 P203 R210 W360 W361 N364 C365 A366N199-Y368 HydrophobicContact CB-CE1 4.23Å; P203-Y368 HydrophobicContact CB-CD1 3.72Å; P203-Y368 HydrophobicContact CB-CE1 4.41Å; P203-Y368 HydrophobicContact CB-CG 4.33Å; P203-Y368 HydrophobicContact CG-CD1 3.33Å; P203-Y368 HydrophobicContact CG-CE1 3.59Å; P203-Y368 HydrophobicContact CG-CG 4.05Å; R210-Y368 PolarHBondContact NH1-O 2.95Å; R210-Y368 PolarHBondContact NH2-O 3.49Å; R210-Y368 VanDerWaalsContact NH2-O 3.07Å; R210-Y368 PolarHBondContact NH2-OXT 3.3Å; W360-Y368 AromaticContact CH2-CE2 3.76Å; W360-Y368 HydrophobicContact CH2-CE2 3.76Å; W360-Y368 WeakPolarHBondContact CH2-OH 3.46Å; W360-Y368 HydrophobicContact CZ3-CE2 4.11Å; W361-Y368 HydrophobicContact CH2-CD2 4.11Å; W361-Y368 HydrophobicContact CH2-CG 4.34Å; W361-Y368 AromaticContact CZ3-CD2 3.67Å; W361-Y368 HydrophobicContact CZ3-CD2 3.67Å; W361-Y368 HydrophobicContact CZ3-CE2 4.01Å; W361-Y368 HydrophobicContact CZ3-CG 4.25Å; N364-Y368 HydrophobicContact CB-CE2 4.48Å; N364-Y368 WeakPolarHBondContact O-CD2 3.43Å; C365-Y368 PolarHBondContact O-N 2.97Å; A366-Y368 VanDerWaalsContact C-N 3.34Å

Retrieved 368 of 368 residues in 604.2 ms (Link to these results)

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