A0A087XRX1_POEFO Loading...

Nicotinamide-nucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A087XRX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low83.1Confident244 Ų24463.6 Ų63.6100%1.20237%0.373SS*.  0116.90-73-174.9-95.500107.4S3M1-S3 PolarHBondContact O-N 3.19Å
2A51.2Low84.4Confident107 Ų10759.1 Ų59.188%0.88435%0.348SS*.  trans-62.4120174.600000108C4A2-C4 PolarHBondContact O-N 2.89Å
3S60.1Low85.5Confident95 Ų9555.7 Ų55.766%0.66433%0.329SS*.  trans-61.7120172.81720000107.7M1 R5M1-S3 PolarHBondContact O-N 3.19Å; S3-R5 PolarHBondContact O-N 3.2Å; S3-R5 VanDerWaalsContact O-N 3.14Å
4C83.4Confident86.3Confident76 Ų7653.4 Ų53.451%0.51432%0.323SS..  trans-67.4110.5176.5-165.40000108.3A2 P129A2-C4 PolarHBondContact O-N 2.89Å; C4-P129 WeakPolarHBondContact SG-CD 3.41Å
5R92.4Very high87.1Confident111 Ų11151.1 Ų51.142%0.41931%0.31SS..PPolyproline II helixtrans-77.8148.1-179.9-66.1-177.7178.4176.20.5109.7S3 P7 E41 P129S3-R5 PolarHBondContact O-N 3.2Å; S3-R5 VanDerWaalsContact O-N 3.14Å; R5-P7 WeakPolarHBondContact O-CD 3.46Å; R5-E41 HydrophobicContact CB-CB 3.93Å; R5-P129 WeakPolarHBondContact O-CG 3.35Å
6V94.8Very high87.8Confident30 Ų3048.5 Ų48.518%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-76.5120.1176.2179.80000109.4L8 R39 F40 E41 P129 Q132V6-L8 PolarHBondContact O-N 3.45Å; V6-R39 PolarHBondContact N-O 3.48Å; V6-F40 HydrophobicContact CB-CD1 3.82Å; V6-F40 HydrophobicContact CB-CE1 4.1Å; V6-F40 HydrophobicContact CG1-CD1 4.11Å; V6-F40 HydrophobicContact CG1-CE1 4.16Å; V6-F40 CarbonylContact O-C 3.51Å; V6-F40 WeakPolarHBondContact O-CA 3.33Å; V6-E41 PolarHBondContact O-N 3.3Å; V6-P129 HydrophobicContact CB-CG 4.49Å; V6-P129 HydrophobicContact CG2-CB 4.1Å; V6-P129 HydrophobicContact CG2-CG 4.2Å; V6-Q132 HydrophobicContact CG1-CB 4.28Å; V6-Q132 HydrophobicContact CG1-CG 3.74Å
7P96.3Very high88.4Confident24 Ų2445.9 Ų45.916%0.15628%0.278CS..EExtended strand (participates in β ladder)trans-58.7134.5171.5-20.630.7000110R5 E41 V43 P129 P131 Q132R5-P7 WeakPolarHBondContact O-CD 3.46Å; P7-E41 CarbonylContact C-O 3.54Å; P7-E41 WeakPolarHBondContact CA-O 3.35Å; P7-V43 HydrophobicContact CB-CG1 4.13Å; P7-V43 HydrophobicContact CB-CG2 4.02Å; P7-P129 WeakPolarHBondContact CD-O 3.34Å; P7-P131 HydrophobicContact CB-CB 4.11Å; P7-P131 CarbonylContact O-C 3.58Å; P7-P131 VanDerWaalsContact O-CA 3.31Å; P7-P131 WeakPolarHBondContact O-CA 3.47Å; P7-Q132 PolarHBondContact O-N 3.07Å
8L98.1Very high89Confident0 Ų043.4 Ų43.40%026%0.262CS..EExtended strand (participates in β ladder)trans-131.5130.2-175.3176.760.8000110.6V6 L10 M34 F40 E41 V42 V43 Q132 K134V6-L8 PolarHBondContact O-N 3.45Å; L8-L10 HydrophobicContact CD2-CD2 4.01Å; L8-L10 HydrophobicContact CG-CD2 4.14Å; L8-M34 HydrophobicContact CD2-CB 4.03Å; L8-M34 HydrophobicContact CD2-CE 3.39Å; L8-M34 HydrophobicContact CD2-CG 3.84Å; L8-M34 HydrophobicContact CD2-SD 4.46Å; L8-F40 HydrophobicContact CB-CB 4.29Å; L8-F40 HydrophobicContact CB-CD1 4.15Å; L8-F40 HydrophobicContact CD2-CB 4.06Å; L8-F40 HydrophobicContact CD2-CD1 4.05Å; L8-F40 HydrophobicContact CD2-CG 4.04Å; L8-E41 PolarHBondContact N-O 3.05Å; L8-V42 HydrophobicContact CB-CG2 4.41Å; L8-V42 HydrophobicContact CD2-CG2 4.09Å; L8-V42 HydrophobicContact CG-CG2 4.4Å; L8-V42 CarbonylContact O-C 3.6Å; L8-V42 VanDerWaalsContact O-CA 3.26Å; L8-V42 WeakPolarHBondContact O-CA 3.46Å; L8-V43 PolarHBondContact O-N 3.48Å; L8-Q132 WeakPolarHBondContact CA-O 3.35Å; L8-Q132 HydrophobicContact CD1-CB 4.05Å; L8-K134 HydrophobicContact CD1-CB 4.05Å; L8-K134 HydrophobicContact CD1-CD 3.96Å; L8-K134 HydrophobicContact CD1-CG 3.71Å; L8-K134 HydrophobicContact CD2-CD 4.37Å
9V98.7Very high89.5Confident13 Ų1341.2 Ų41.28%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-105.4134.7166.8-178.50000109.1V43 G44 I46 I105 Q132 L133 K134V9-V43 HydrophobicContact CG2-CG2 4.13Å; V9-G44 WeakPolarHBondContact CA-O 3.37Å; V9-I46 HydrophobicContact CG1-CD1 3.83Å; V9-I46 HydrophobicContact CG1-CG1 4.03Å; V9-I105 HydrophobicContact CB-CD1 3.81Å; V9-I105 HydrophobicContact CG1-CD1 3.87Å; V9-I105 HydrophobicContact CG2-CD1 3.89Å; V9-I105 HydrophobicContact CG2-CG1 4.37Å; V9-I105 HydrophobicContact CG2-CG2 4.41Å; V9-Q132 PolarHBondContact N-O 3.02Å; V9-L133 HydrophobicContact CB-CD1 3.94Å; V9-L133 HydrophobicContact CG1-CD1 3.88Å; V9-L133 WeakPolarHBondContact O-CA 3.47Å; V9-K134 PolarHBondContact O-N 3.31Å
10L98.9Very high89.9Confident0 Ų039.1 Ų39.10%024%0.236CC..EExtended strand (participates in β ladder)trans-102.2125.5175.1-62178.2000109.6L8 F27 A30 V42 G44 G45 I46 W78 K134 L136 V166L8-L10 HydrophobicContact CD2-CD2 4.01Å; L8-L10 HydrophobicContact CG-CD2 4.14Å; L10-F27 HydrophobicContact CB-CD1 4.37Å; L10-F27 HydrophobicContact CB-CE1 4.24Å; L10-A30 HydrophobicContact CD1-CB 3.69Å; L10-V42 HydrophobicContact CD1-CG1 4.07Å; L10-V42 HydrophobicContact CD1-CG2 4.39Å; L10-V42 HydrophobicContact CG-CG1 4.16Å; L10-G44 PolarHBondContact N-O 2.84Å; L10-G45 CarbonylContact O-C 3.44Å; L10-G45 VanDerWaalsContact O-CA 3.28Å; L10-G45 WeakPolarHBondContact O-CA 3.49Å; L10-I46 PolarHBondContact O-N 3.4Å; L10-W78 HydrophobicContact CD1-CH2 4.26Å; L10-W78 HydrophobicContact CD1-CZ3 4.32Å; L10-K134 HydrophobicContact CD2-CB 4.34Å; L10-L136 HydrophobicContact CB-CB 4.37Å; L10-V166 HydrophobicContact CD2-CB 4.5Å; L10-V166 HydrophobicContact CD2-CG2 3.91Å
11L98.9Very high90.2Very high0 Ų039.4 Ų39.40%024%0.237CC..EExtended strand (participates in β ladder)trans-112.2124.5175.9175.665.2000110I46 T97 M98 H101 L133 K134 L135 L136L11-I46 CarbonylContact C-O 3.44Å; L11-I46 WeakPolarHBondContact CA-O 3.41Å; L11-I46 HydrophobicContact CD1-CB 3.61Å; L11-I46 HydrophobicContact CD1-CG2 3.48Å; L11-I46 VanDerWaalsContact CD1-CG2 3.48Å; L11-T97 HydrophobicContact CD2-CG2 4.1Å; L11-M98 HydrophobicContact CB-SD 4.17Å; L11-M98 HydrophobicContact CD2-CG 4.35Å; L11-M98 HydrophobicContact CD2-SD 3.31Å; L11-M98 WeakPolarHBondContact CD2-SD 3.45Å; L11-M98 HydrophobicContact CG-SD 4.14Å; L11-H101 HydrophobicContact CD2-CB 4.39Å; L11-L133 HydrophobicContact CB-CD1 3.88Å; L11-K134 PolarHBondContact N-O 3.33Å; L11-L135 CarbonylContact O-C 3.36Å; L11-L135 WeakPolarHBondContact O-CA 3.37Å; L11-L135 WeakPolarHBondContact O-CD1 3.32Å; L11-L136 PolarHBondContact O-N 3.25Å
12A98.7Very high92.7Very high9 Ų928 Ų287%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-109.9107.7171.100000109.9F16 F27 I46 S48 L136A12-F16 HydrophobicContact CB-CZ 4.19Å; A12-F16 WeakPolarHBondContact O-CZ 3Å; A12-F27 HydrophobicContact CB-CE1 4.49Å; A12-F27 HydrophobicContact CB-CE2 3.73Å; A12-F27 HydrophobicContact CB-CZ 3.48Å; A12-F27 VanDerWaalsContact CB-CZ 3.48Å; A12-I46 PolarHBondContact N-O 3.35Å; A12-S48 PolarHBondContact O-N 2.77Å; A12-L136 HydrophobicContact CB-CB 4.32Å; A12-L136 HydrophobicContact CB-CD2 4.45Å; A12-L136 HydrophobicContact CB-CG 4.46Å
13C98.3Very high94.9Very high15 Ų1525.3 Ų25.310%0.10115%0.15CC..EExtended strand (participates in β ladder)trans-84.4143.1168.4-67.20000110E85 T94 L135C13-E85 PolarHBondContact SG-OE2 3.31Å; C13-E85 VanDerWaalsContact SG-OE2 3.42Å; C13-T94 HydrophobicContact CB-CG2 4.29Å; C13-L135 HydrophobicContact CB-CD1 4.4Å
14G97.1Very high96.7Very high24 Ų2422.8 Ų22.825%0.24713%0.128CC..EExtended strand (participates in β ladder)trans172.4175.3177.500000114.4F16 S48 P49 V50G14-F16 WeakPolarHBondContact O-CD2 3.49Å; G14-F16 WeakPolarHBondContact O-CE2 3.48Å; G14-S48 PolarHBondContact N-O 3.41Å; G14-P49 WeakPolarHBondContact O-CA 3.31Å; G14-V50 PolarHBondContact O-N 2.72Å
15S97.9Very high97.3Very high19 Ų1923.6 Ų23.613%0.13312%0.12CC..  trans-69.7-43.3177.9-53.80000112.3R65S15-R65 VanDerWaalsContact O-CD 3.29Å; S15-R65 WeakPolarHBondContact O-CD 3.01Å; S15-R65 PolarHBondContact O-NH1 2.64Å
16F98.4Very high97.4Very high9 Ų919.1 Ų19.14%0.03910%0.104CC..  trans49.158.8-171.2-52.9-79.2000111.8A12 G14 P18 I19 H23 V47 P49A12-F16 HydrophobicContact CB-CZ 4.19Å; A12-F16 WeakPolarHBondContact O-CZ 3Å; G14-F16 WeakPolarHBondContact O-CD2 3.49Å; G14-F16 WeakPolarHBondContact O-CE2 3.48Å; F16-P18 VanDerWaalsContact C-CA 3.46Å; F16-P18 CarbonylContact C-O 3.56Å; F16-P18 CarbonylContact O-C 3.53Å; F16-P18 WeakPolarHBondContact O-CA 3.35Å; F16-I19 HydrophobicContact CB-CB 4.25Å; F16-I19 HydrophobicContact CD1-CB 4.41Å; F16-I19 HydrophobicContact CD1-CD1 4.31Å; F16-I19 HydrophobicContact CD1-CG1 4.11Å; F16-I19 PolarHBondContact O-N 3.4Å; F16-H23 HydrophobicContact CD1-CB 4.3Å; F16-H23 AromaticContact CD1-CD2 3.71Å; F16-H23 HydrophobicContact CE1-CB 4.19Å; F16-H23 AromaticContact CE1-CD2 3.71Å; F16-V47 HydrophobicContact CD1-CG1 4.17Å; F16-V47 HydrophobicContact CD2-CG1 3.92Å; F16-V47 HydrophobicContact CE1-CG1 3.94Å; F16-V47 HydrophobicContact CE1-CG2 4.41Å; F16-V47 HydrophobicContact CE2-CG1 3.69Å; F16-V47 HydrophobicContact CG-CG1 4.16Å; F16-V47 HydrophobicContact CZ-CB 4.48Å; F16-V47 HydrophobicContact CZ-CG1 3.7Å; F16-V47 HydrophobicContact CZ-CG2 4.41Å; F16-P49 HydrophobicContact CD2-CB 4.3Å; F16-P49 HydrophobicContact CD2-CG 4.29Å
17N98.6Very high97.6Very high5 Ų517.9 Ų17.93%0.02710%0.096CC..THydrogen-bonded Turntrans-123.367.5-168.9-171.845.6000113.7G58 L59 V60 A205 R209 Y236N17-G58 PolarHBondContact ND2-O 2.91Å; N17-L59 HydrophobicContact CB-CD1 4.08Å; N17-V60 WeakPolarHBondContact OD1-CG2 3.5Å; N17-V60 PolarHBondContact OD1-N 3.32Å; N17-A205 WeakPolarHBondContact O-CB 3.48Å; N17-R209 WeakPolarHBondContact O-CD 3.43Å; N17-R209 PolarHBondContact O-NH1 3.14Å; N17-Y236 WeakPolarHBondContact CA-OH 3.44Å; N17-Y236 VanDerWaalsContact OD1-CE1 3.27Å; N17-Y236 WeakPolarHBondContact OD1-CE1 3.27Å; N17-Y236 PolarHBondContact OD1-OH 3.39Å; N17-Y236 VanDerWaalsContact OD1-OH 3.05Å
18P98.6Very high97.7Very high0 Ų019.4 Ų19.40%010%0.101CC..THydrogen-bonded Turncis-86.1174.9-2.732.1-31.9000112.6F16 M68 A205 I208 I230 Y236F16-P18 VanDerWaalsContact C-CA 3.46Å; F16-P18 CarbonylContact C-O 3.56Å; F16-P18 CarbonylContact O-C 3.53Å; F16-P18 WeakPolarHBondContact O-CA 3.35Å; P18-M68 HydrophobicContact CB-CE 4.14Å; P18-M68 HydrophobicContact CB-SD 3.84Å; P18-A205 WeakPolarHBondContact O-CB 3.35Å; P18-I208 HydrophobicContact CG-CB 4.26Å; P18-I208 HydrophobicContact CG-CG2 3.55Å; P18-I230 HydrophobicContact CB-CD1 4.32Å; P18-I230 HydrophobicContact CG-CD1 4.28Å; P18-Y236 WeakPolarHBondContact CA-OH 3.2Å; P18-Y236 HydrophobicContact CB-CE2 3.76Å; P18-Y236 VanDerWaalsContact CB-OH 3.31Å; P18-Y236 WeakPolarHBondContact CB-OH 3.47Å; P18-Y236 VanDerWaalsContact CD-CZ 3.5Å; P18-Y236 WeakPolarHBondContact CD-OH 3.46Å; P18-Y236 HydrophobicContact CG-CE2 3.76Å
19I98.5Very high97.7Very high1 Ų120.3 Ų20.31%0.00511%0.106CC..  trans-61.4149161-166.8164.3000109.5F16 H23 M24 M68 A69 A72 V226F16-I19 HydrophobicContact CB-CB 4.25Å; F16-I19 HydrophobicContact CD1-CB 4.41Å; F16-I19 HydrophobicContact CD1-CD1 4.31Å; F16-I19 HydrophobicContact CD1-CG1 4.11Å; F16-I19 PolarHBondContact O-N 3.4Å; I19-H23 HydrophobicContact CG1-CB 3.92Å; I19-M24 HydrophobicContact CD1-CG 4.42Å; I19-M68 HydrophobicContact CG2-CB 4.32Å; I19-A69 HydrophobicContact CD1-CB 4.13Å; I19-A72 HydrophobicContact CD1-CB 4.06Å; I19-A72 HydrophobicContact CG1-CB 4.44Å; I19-A72 HydrophobicContact CG2-CB 3.6Å; I19-V226 HydrophobicContact CG2-CG2 4.35Å
20T97.9Very high97.6Very high0 Ų019.7 Ų19.70%010%0.103CC..  trans-135.6166.7-178.372.20000110.9Q22 H23 M24 T203 A205 I208 I222T20-Q22 PolarHBondContact O-N 3.04Å; T20-Q22 VanDerWaalsContact O-N 3.16Å; T20-Q22 PolarHBondContact OG1-N 3.33Å; T20-H23 PolarHBondContact N-ND1 3.15Å; T20-H23 WeakPolarHBondContact O-CB 3.36Å; T20-H23 PolarHBondContact O-N 3.46Å; T20-H23 PolarHBondContact OG1-CE1 3.17Å; T20-H23 PolarHBondContact OG1-ND1 3.13Å; T20-M24 PolarHBondContact O-N 3Å; T20-T203 HydrophobicContact CG2-CG2 4.32Å; T20-T203 PolarHBondContact OG1-O 3.27Å; T20-A205 HydrophobicContact CG2-CB 4.4Å; T20-I208 HydrophobicContact CG2-CG1 3.86Å; T20-I222 HydrophobicContact CG2-CG2 3.89Å
21N96.7Very high97.6Very high46 Ų4622.4 Ų22.425%0.24611%0.113CC..Hα-helixtrans-57.3-29.8174.4-70.5-10.4000112.2M24 R25 Y220 L221 P223N21-M24 HydrophobicContact CB-CE 4.36Å; N21-M24 PolarHBondContact O-N 2.84Å; N21-M24 WeakPolarHBondContact OD1-CE 3.34Å; N21-R25 VanDerWaalsContact O-CB 3.3Å; N21-R25 WeakPolarHBondContact O-CB 3.3Å; N21-R25 PolarHBondContact O-N 3.34Å; N21-Y220 PolarHBondContact ND2-O 2.96Å; N21-L221 VanDerWaalsContact CB-O 3.28Å; N21-L221 WeakPolarHBondContact CB-O 3.19Å; N21-L221 VanDerWaalsContact CG-O 3.23Å; N21-L221 PolarHBondContact N-O 3.06Å; N21-L221 PolarHBondContact ND2-O 3.27Å; N21-P223 WeakPolarHBondContact OD1-CD 3.42Å
22Q93.6Very high97.6Very high4 Ų426.6 Ų26.62%0.01914%0.135CC..Hα-helixtrans-62.9-45.3174-176.1170.428.600111.8T20 M24 R25 L26 N201 T203T20-Q22 PolarHBondContact O-N 3.04Å; T20-Q22 VanDerWaalsContact O-N 3.16Å; T20-Q22 PolarHBondContact OG1-N 3.33Å; Q22-M24 VanDerWaalsContact C-N 3.3Å; Q22-M24 PolarHBondContact O-N 3.18Å; Q22-R25 WeakPolarHBondContact O-CB 3.32Å; Q22-R25 PolarHBondContact O-N 3.44Å; Q22-R25 VanDerWaalsContact O-N 3.07Å; Q22-L26 HydrophobicContact CG-CD1 3.83Å; Q22-L26 WeakPolarHBondContact O-CD1 3.49Å; Q22-L26 PolarHBondContact O-N 3.07Å; Q22-N201 WeakPolarHBondContact CG-O 3.48Å; Q22-N201 PolarHBondContact NE2-O 3.26Å; Q22-N201 PolarHBondContact OE1-O 2.83Å; Q22-T203 PolarHBondContact OE1-O 3.13Å; Q22-T203 VanDerWaalsContact OE1-O 3.09Å
23H96.6Very high97.6Very high51 Ų5128.8 Ų28.824%0.23614%0.144CC..Hα-helixtrans-59.8-41.4179.8-6295.9000112.1F16 I19 T20 L26 F27F16-H23 HydrophobicContact CD1-CB 4.3Å; F16-H23 AromaticContact CD1-CD2 3.71Å; F16-H23 HydrophobicContact CE1-CB 4.19Å; F16-H23 AromaticContact CE1-CD2 3.71Å; I19-H23 HydrophobicContact CG1-CB 3.92Å; T20-H23 PolarHBondContact N-ND1 3.15Å; T20-H23 WeakPolarHBondContact O-CB 3.36Å; T20-H23 PolarHBondContact O-N 3.46Å; T20-H23 PolarHBondContact OG1-CE1 3.17Å; T20-H23 PolarHBondContact OG1-ND1 3.13Å; H23-L26 WeakPolarHBondContact O-CB 3.12Å; H23-L26 PolarHBondContact O-N 2.69Å; H23-F27 WeakPolarHBondContact O-CD2 3.33Å
24M97.4Very high97.6Very high41 Ų4128 Ų2820%0.20214%0.139CC..Hα-helixtrans-68.7-37.9175.4-60.1-176.7-67.800111.3I19 T20 N21 Q22 L26 F27 E28 A72 L73 P223I19-M24 HydrophobicContact CD1-CG 4.42Å; T20-M24 PolarHBondContact O-N 3Å; N21-M24 HydrophobicContact CB-CE 4.36Å; N21-M24 PolarHBondContact O-N 2.84Å; N21-M24 WeakPolarHBondContact OD1-CE 3.34Å; Q22-M24 VanDerWaalsContact C-N 3.3Å; Q22-M24 PolarHBondContact O-N 3.18Å; M24-L26 VanDerWaalsContact C-N 3.26Å; M24-L26 PolarHBondContact O-N 3.47Å; M24-F27 WeakPolarHBondContact O-CB 3.48Å; M24-F27 PolarHBondContact O-N 3.11Å; M24-F27 VanDerWaalsContact O-N 3.14Å; M24-E28 PolarHBondContact O-N 3.16Å; M24-A72 HydrophobicContact SD-CB 3.92Å; M24-A72 VanDerWaalsContact SD-O 3.34Å; M24-L73 HydrophobicContact CG-CD2 4.04Å; M24-L73 HydrophobicContact SD-CD2 4.23Å; M24-P223 HydrophobicContact CE-CG 3.63Å; M24-P223 HydrophobicContact SD-CG 4.42Å
25R96.3Very high97.6Very high93 Ų9329.7 Ų29.735%0.35114%0.14SC..Hα-helixtrans-61.4-33.1177-175.256.7178.2160.11.5112.9N21 Q22 F27 E28 L29N21-R25 VanDerWaalsContact O-CB 3.3Å; N21-R25 WeakPolarHBondContact O-CB 3.3Å; N21-R25 PolarHBondContact O-N 3.34Å; Q22-R25 WeakPolarHBondContact O-CB 3.32Å; Q22-R25 PolarHBondContact O-N 3.44Å; Q22-R25 VanDerWaalsContact O-N 3.07Å; R25-F27 VanDerWaalsContact C-N 3.28Å; R25-F27 PolarHBondContact O-N 3.38Å; R25-E28 PolarHBondContact O-N 3.13Å; R25-L29 HydrophobicContact CG-CD1 3.93Å; R25-L29 HydrophobicContact CG-CG 4.21Å; R25-L29 WeakPolarHBondContact O-CG 3.41Å; R25-L29 PolarHBondContact O-N 3.4Å
26L95.8Very high97.6Very high18 Ų1833.1 Ų33.19%0.09416%0.164CC..Hα-helixtrans-56.8-42.2174.6-92.371.8000111.8Q22 H23 M24 A30 L136 V168Q22-L26 HydrophobicContact CG-CD1 3.83Å; Q22-L26 WeakPolarHBondContact O-CD1 3.49Å; Q22-L26 PolarHBondContact O-N 3.07Å; H23-L26 WeakPolarHBondContact O-CB 3.12Å; H23-L26 PolarHBondContact O-N 2.69Å; M24-L26 VanDerWaalsContact C-N 3.26Å; M24-L26 PolarHBondContact O-N 3.47Å; L26-A30 WeakPolarHBondContact O-CB 3.1Å; L26-A30 PolarHBondContact O-N 3.43Å; L26-L136 HydrophobicContact CB-CD1 4.4Å; L26-L136 HydrophobicContact CB-CD2 4.26Å; L26-L136 HydrophobicContact CB-CG 4.46Å; L26-V168 HydrophobicContact CB-CG2 4.44Å; L26-V168 HydrophobicContact CG-CB 4.15Å; L26-V168 HydrophobicContact CG-CG2 4.1Å
27F98.4Very high97.5Very high3 Ų334.6 Ų34.61%0.01317%0.174CC..Hα-helixtrans-63.9-46.5179.1-81.1-86.7000111.6L10 A12 H23 M24 R25 A30 R31 I46 V47 W78 V79 L136L10-F27 HydrophobicContact CB-CD1 4.37Å; L10-F27 HydrophobicContact CB-CE1 4.24Å; A12-F27 HydrophobicContact CB-CE1 4.49Å; A12-F27 HydrophobicContact CB-CE2 3.73Å; A12-F27 HydrophobicContact CB-CZ 3.48Å; A12-F27 VanDerWaalsContact CB-CZ 3.48Å; H23-F27 WeakPolarHBondContact O-CD2 3.33Å; M24-F27 WeakPolarHBondContact O-CB 3.48Å; M24-F27 PolarHBondContact O-N 3.11Å; M24-F27 VanDerWaalsContact O-N 3.14Å; R25-F27 VanDerWaalsContact C-N 3.28Å; R25-F27 PolarHBondContact O-N 3.38Å; F27-A30 PolarHBondContact O-N 2.9Å; F27-R31 WeakPolarHBondContact O-CB 3.35Å; F27-R31 PolarHBondContact O-N 3.25Å; F27-I46 WeakPolarHBondContact CZ-O 3.39Å; F27-V47 HydrophobicContact CE2-CG2 3.49Å; F27-V47 VanDerWaalsContact CE2-CG2 3.49Å; F27-V47 HydrophobicContact CZ-CG2 3.71Å; F27-W78 HydrophobicContact CB-CH2 3.64Å; F27-W78 HydrophobicContact CB-CZ2 3.68Å; F27-W78 AromaticContact CD1-CH2 3.84Å; F27-W78 HydrophobicContact CD1-CH2 3.84Å; F27-W78 HydrophobicContact CD1-CZ3 4.17Å; F27-W78 HydrophobicContact CG-CH2 4.24Å; F27-W78 WeakPolarHBondContact O-CH2 3.35Å; F27-V79 HydrophobicContact CB-CG2 4.04Å; F27-V79 HydrophobicContact CD1-CG1 3.96Å; F27-V79 HydrophobicContact CD1-CG2 3.83Å; F27-V79 HydrophobicContact CD2-CG1 4.23Å; F27-V79 HydrophobicContact CE1-CG1 3.85Å; F27-V79 HydrophobicContact CE1-CG2 4.48Å; F27-V79 HydrophobicContact CE2-CG1 4.13Å; F27-V79 HydrophobicContact CG-CG1 4.15Å; F27-V79 HydrophobicContact CG-CG2 3.95Å; F27-V79 HydrophobicContact CZ-CG1 3.93Å; F27-L136 HydrophobicContact CB-CD2 4.25Å; F27-L136 HydrophobicContact CD1-CD2 3.54Å; F27-L136 HydrophobicContact CD2-CD2 3.83Å; F27-L136 HydrophobicContact CE1-CD2 3.72Å; F27-L136 HydrophobicContact CE2-CD2 3.99Å; F27-L136 HydrophobicContact CG-CD2 3.6Å; F27-L136 HydrophobicContact CZ-CD2 3.95Å
28E98.1Very high97.3Very high56 Ų5635.9 Ų35.926%0.26219%0.188SC..Hα-helixtrans-62.4-47179.4-63.4-57.2137.100111.8M24 R25 A30 R31 D32 W78M24-E28 PolarHBondContact O-N 3.16Å; R25-E28 PolarHBondContact O-N 3.13Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.23Å; E28-R31 PolarHBondContact O-N 2.94Å; E28-R31 IonicContact OE1-NH2 3.6Å; E28-R31 IonicContact OE2-CZ 2.8Å; E28-R31 IonicContact OE2-NE 3.69Å; E28-R31 IonicContact OE2-NH2 3.19Å; E28-R31 PolarHBondContact OE2-NH2 3.18Å; E28-D32 PolarHBondContact O-N 3.42Å; E28-W78 WeakPolarHBondContact OE1-CZ2 3.28Å; E28-W78 PolarHBondContact OE1-NE1 3.13Å
29L97.4Very high97.2Very high20 Ų2042 Ų4211%0.10521%0.211CC..Hα-helixtrans-61.3-43.3177.8-70.8171.3000112.2R25 H33 V168 V195 E197R25-L29 HydrophobicContact CG-CD1 3.93Å; R25-L29 HydrophobicContact CG-CG 4.21Å; R25-L29 WeakPolarHBondContact O-CG 3.41Å; R25-L29 PolarHBondContact O-N 3.4Å; L29-H33 WeakPolarHBondContact O-CB 3.46Å; L29-H33 PolarHBondContact O-N 3.04Å; L29-H33 VanDerWaalsContact O-N 3.1Å; L29-V168 HydrophobicContact CB-CG1 4.48Å; L29-V168 HydrophobicContact CD1-CG1 3.76Å; L29-V195 HydrophobicContact CB-CG1 4.17Å; L29-E197 HydrophobicContact CD1-CB 3.84Å; L29-E197 HydrophobicContact CD1-CG 3.69Å; L29-E197 WeakPolarHBondContact CD1-OE1 3.31Å
30A98.3Very high97.1Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-64.7-45177.400000111.3L10 L26 F27 E28 H33 M34 L136 V166L10-A30 HydrophobicContact CD1-CB 3.69Å; L26-A30 WeakPolarHBondContact O-CB 3.1Å; L26-A30 PolarHBondContact O-N 3.43Å; F27-A30 PolarHBondContact O-N 2.9Å; E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.23Å; A30-H33 PolarHBondContact O-N 3.48Å; A30-M34 WeakPolarHBondContact O-CB 3.08Å; A30-M34 WeakPolarHBondContact O-CG 3.43Å; A30-M34 PolarHBondContact O-N 3.07Å; A30-L136 HydrophobicContact CB-CD1 3.53Å; A30-L136 HydrophobicContact CB-CD2 4.33Å; A30-V166 HydrophobicContact CB-CG1 3.68Å
31R98.6Very high97.1Very high56 Ų5647.3 Ų47.321%0.21124%0.236CC..Hα-helixtrans-58.9-51.9178.7178.3169.171.51650.3112.1F27 E28 H33 M34 H35 V42 W78F27-R31 WeakPolarHBondContact O-CB 3.35Å; F27-R31 PolarHBondContact O-N 3.25Å; E28-R31 PolarHBondContact O-N 2.94Å; E28-R31 IonicContact OE1-NH2 3.6Å; E28-R31 IonicContact OE2-CZ 2.8Å; E28-R31 IonicContact OE2-NE 3.69Å; E28-R31 IonicContact OE2-NH2 3.19Å; E28-R31 PolarHBondContact OE2-NH2 3.18Å; R31-H33 VanDerWaalsContact C-N 3.31Å; R31-H33 PolarHBondContact O-N 3.33Å; R31-M34 PolarHBondContact O-N 2.8Å; R31-H35 WeakPolarHBondContact O-CB 3.22Å; R31-H35 PolarHBondContact O-N 3.04Å; R31-V42 HydrophobicContact CB-CG2 4.44Å; R31-V42 HydrophobicContact CG-CB 3.96Å; R31-V42 HydrophobicContact CG-CG1 4.28Å; R31-V42 HydrophobicContact CG-CG2 4.23Å; R31-W78 HydrophobicContact CB-CH2 3.7Å; R31-W78 HydrophobicContact CB-CZ2 3.93Å; R31-W78 HydrophobicContact CB-CZ3 4.42Å; R31-W78 HydrophobicContact CG-CH2 4.34Å; R31-W78 HydrophobicContact CG-CZ2 4.44Å; R31-W78 VanDerWaalsContact CZ-NE1 3.28Å; R31-W78 VanDerWaalsContact NH1-NE1 3.16Å
32D98.3Very high97.2Very high88 Ų8845.8 Ų45.847%0.47123%0.228SC..Hα-helixtrans-57.2-46.8179-71.2-11.1000110.9E28 S36E28-D32 PolarHBondContact O-N 3.42Å; D32-S36 WeakPolarHBondContact O-CB 3.48Å; D32-S36 PolarHBondContact O-N 2.87Å
33H98.3Very high97.3Very high55 Ų5549.4 Ų49.426%0.25525%0.25SS..Hα-helixtrans-61.1-49.7178.1-178.489.1000111.7L29 A30 R31 H35 S36 T37 V195L29-H33 WeakPolarHBondContact O-CB 3.46Å; L29-H33 PolarHBondContact O-N 3.04Å; L29-H33 VanDerWaalsContact O-N 3.1Å; A30-H33 PolarHBondContact O-N 3.48Å; R31-H33 VanDerWaalsContact C-N 3.31Å; R31-H33 PolarHBondContact O-N 3.33Å; H33-H35 PolarHBondContact O-N 3.18Å; H33-S36 PolarHBondContact O-N 3.36Å; H33-S36 VanDerWaalsContact O-N 3.15Å; H33-S36 PolarHBondContact O-OG 3.09Å; H33-T37 WeakPolarHBondContact O-CG2 3.4Å; H33-T37 PolarHBondContact O-N 3.22Å; H33-V195 HydrophobicContact CB-CB 4.42Å; H33-V195 HydrophobicContact CB-CG1 3.86Å; H33-V195 HydrophobicContact CB-CG2 3.76Å
34M98.2Very high97.4Very high0 Ų047.6 Ų47.60%025%0.245CC..Hα-helixtrans-63.6-40.7-177-66.4-51.5-74.600112L8 A30 R31 T37 F40 V42 K134 V166 F193L8-M34 HydrophobicContact CD2-CB 4.03Å; L8-M34 HydrophobicContact CD2-CE 3.39Å; L8-M34 HydrophobicContact CD2-CG 3.84Å; L8-M34 HydrophobicContact CD2-SD 4.46Å; A30-M34 WeakPolarHBondContact O-CB 3.08Å; A30-M34 WeakPolarHBondContact O-CG 3.43Å; A30-M34 PolarHBondContact O-N 3.07Å; R31-M34 PolarHBondContact O-N 2.8Å; M34-T37 PolarHBondContact O-N 3.01Å; M34-T37 PolarHBondContact O-OG1 3.03Å; M34-F40 HydrophobicContact CB-CB 4.33Å; M34-F40 HydrophobicContact CE-CB 4.41Å; M34-F40 HydrophobicContact CE-CD1 4.4Å; M34-F40 HydrophobicContact CE-CD2 3.34Å; M34-F40 HydrophobicContact CE-CE2 3.58Å; M34-F40 HydrophobicContact CE-CG 3.8Å; M34-F40 HydrophobicContact CE-CZ 4.2Å; M34-V42 HydrophobicContact CB-CG2 3.82Å; M34-K134 HydrophobicContact CE-CD 4.05Å; M34-V166 HydrophobicContact CE-CG2 4.27Å; M34-V166 HydrophobicContact CG-CG1 4.46Å; M34-V166 HydrophobicContact CG-CG2 4.23Å; M34-V166 HydrophobicContact SD-CG1 4.35Å; M34-V166 HydrophobicContact SD-CG2 3.86Å; M34-F193 HydrophobicContact CE-CD1 3.81Å; M34-F193 HydrophobicContact CE-CD2 4.14Å; M34-F193 HydrophobicContact CE-CE1 3.68Å; M34-F193 HydrophobicContact CE-CE2 4.09Å; M34-F193 HydrophobicContact CE-CG 4.03Å; M34-F193 HydrophobicContact CE-CZ 3.88Å; M34-F193 HydrophobicContact SD-CB 4.06Å; M34-F193 HydrophobicContact SD-CD1 3.56Å; M34-F193 VanDerWaalsContact SD-CD1 3.56Å; M34-F193 HydrophobicContact SD-CD2 4.39Å; M34-F193 HydrophobicContact SD-CE1 4.03Å; M34-F193 HydrophobicContact SD-CG 3.76Å
35H97.9Very high97.5Very high58 Ų5845.7 Ų45.727%0.26924%0.236SC..Hα-helixtrans-63.2-42.3172.7-72.2173.3000112.1R31 H33 T37 G38 V42R31-H35 WeakPolarHBondContact O-CB 3.22Å; R31-H35 PolarHBondContact O-N 3.04Å; H33-H35 PolarHBondContact O-N 3.18Å; H35-T37 PolarHBondContact O-N 3.47Å; H35-G38 PolarHBondContact O-N 3.24Å; H35-V42 PolarHBondContact CD2-N 3.07Å; H35-V42 VanDerWaalsContact CD2-N 3.31Å; H35-V42 PolarHBondContact NE2-N 3.32Å
36S97.2Very high97.6Very high92 Ų9242.1 Ų42.164%0.64322%0.224SC*.Hα-helixtrans-62-25-179.477.90000113.5D32 H33 G38D32-S36 WeakPolarHBondContact O-CB 3.48Å; D32-S36 PolarHBondContact O-N 2.87Å; H33-S36 PolarHBondContact O-N 3.36Å; H33-S36 VanDerWaalsContact O-N 3.15Å; H33-S36 PolarHBondContact O-OG 3.09Å; S36-G38 PolarHBondContact O-N 2.76Å
37T96.1Very high97.7Very high40 Ų4041.3 Ų41.325%0.24522%0.22CC..THydrogen-bonded Turntrans-65.4-15.7174.674.10000113.7H33 M34 H35 R39H33-T37 WeakPolarHBondContact O-CG2 3.4Å; H33-T37 PolarHBondContact O-N 3.22Å; M34-T37 PolarHBondContact O-N 3.01Å; M34-T37 PolarHBondContact O-OG1 3.03Å; H35-T37 PolarHBondContact O-N 3.47Å; T37-R39 PolarHBondContact O-N 3.47Å; T37-R39 VanDerWaalsContact O-N 3.07Å; T37-R39 PolarHBondContact OG1-N 2.93Å
38G95.6Very high97.8Very high31 Ų3141.1 Ų41.132%0.3222%0.219SC..SBendtrans69.6-5.1-173.800000114.8H35 S36H35-G38 PolarHBondContact O-N 3.24Å; S36-G38 PolarHBondContact O-N 2.76Å
39R95.1Very high97.8Very high130 Ų13038.5 Ų38.549%0.49121%0.206SC..SBendtrans-92-30.4-176.7-65.9-179.3-73.1172.8-8.2113.5V6 T37V6-R39 PolarHBondContact N-O 3.48Å; T37-R39 PolarHBondContact O-N 3.47Å; T37-R39 VanDerWaalsContact O-N 3.07Å; T37-R39 PolarHBondContact OG1-N 2.93Å
40F97.4Very high97.8Very high13 Ų1337.9 Ų37.96%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-121.5148.1-170.7-61.4-81000111.9V6 L8 M34 F193V6-F40 HydrophobicContact CB-CD1 3.82Å; V6-F40 HydrophobicContact CB-CE1 4.1Å; V6-F40 HydrophobicContact CG1-CD1 4.11Å; V6-F40 HydrophobicContact CG1-CE1 4.16Å; V6-F40 CarbonylContact O-C 3.51Å; V6-F40 WeakPolarHBondContact O-CA 3.33Å; L8-F40 HydrophobicContact CB-CB 4.29Å; L8-F40 HydrophobicContact CB-CD1 4.15Å; L8-F40 HydrophobicContact CD2-CB 4.06Å; L8-F40 HydrophobicContact CD2-CD1 4.05Å; L8-F40 HydrophobicContact CD2-CG 4.04Å; M34-F40 HydrophobicContact CB-CB 4.33Å; M34-F40 HydrophobicContact CE-CB 4.41Å; M34-F40 HydrophobicContact CE-CD1 4.4Å; M34-F40 HydrophobicContact CE-CD2 3.34Å; M34-F40 HydrophobicContact CE-CE2 3.58Å; M34-F40 HydrophobicContact CE-CG 3.8Å; M34-F40 HydrophobicContact CE-CZ 4.2Å; F40-F193 HydrophobicContact CD2-CE1 4.45Å; F40-F193 AromaticContact CE2-CE1 3.74Å; F40-F193 HydrophobicContact CE2-CE1 3.74Å; F40-F193 AromaticContact CE2-CZ 3.51Å; F40-F193 HydrophobicContact CE2-CZ 3.51Å; F40-F193 AromaticContact CZ-CZ 3.88Å; F40-F193 HydrophobicContact CZ-CZ 3.88Å
41E97.2Very high97.8Very high99 Ų9938.1 Ų38.146%0.46321%0.205SC..EExtended strand (participates in β ladder)trans-118.6105.9165.9-179172.8-168.800107.6R5 V6 P7 L8 V43R5-E41 HydrophobicContact CB-CB 3.93Å; V6-E41 PolarHBondContact O-N 3.3Å; P7-E41 CarbonylContact C-O 3.54Å; P7-E41 WeakPolarHBondContact CA-O 3.35Å; L8-E41 PolarHBondContact N-O 3.05Å; E41-V43 HydrophobicContact CG-CG1 4.07Å; E41-V43 PolarHBondContact O-N 3.47Å
42V98.3Very high97.7Very high13 Ų1337.8 Ų37.88%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-68.6114.9173.9-176.90000109.6L8 L10 R31 M34 H35 W78L8-V42 HydrophobicContact CB-CG2 4.41Å; L8-V42 HydrophobicContact CD2-CG2 4.09Å; L8-V42 HydrophobicContact CG-CG2 4.4Å; L8-V42 CarbonylContact O-C 3.6Å; L8-V42 VanDerWaalsContact O-CA 3.26Å; L8-V42 WeakPolarHBondContact O-CA 3.46Å; L10-V42 HydrophobicContact CD1-CG1 4.07Å; L10-V42 HydrophobicContact CD1-CG2 4.39Å; L10-V42 HydrophobicContact CG-CG1 4.16Å; R31-V42 HydrophobicContact CB-CG2 4.44Å; R31-V42 HydrophobicContact CG-CB 3.96Å; R31-V42 HydrophobicContact CG-CG1 4.28Å; R31-V42 HydrophobicContact CG-CG2 4.23Å; M34-V42 HydrophobicContact CB-CG2 3.82Å; H35-V42 PolarHBondContact CD2-N 3.07Å; H35-V42 VanDerWaalsContact CD2-N 3.31Å; H35-V42 PolarHBondContact NE2-N 3.32Å; V42-W78 HydrophobicContact CG1-CE3 3.93Å; V42-W78 HydrophobicContact CG1-CH2 4.28Å; V42-W78 HydrophobicContact CG1-CZ3 3.46Å; V42-W78 VanDerWaalsContact CG1-CZ3 3.46Å
43V97.2Very high97.6Very high81 Ų8135 Ų3549%0.49120%0.199SC..EExtended strand (participates in β ladder)trans-107.3-9.4-176.9-64.60000112.8P7 L8 V9 E41P7-V43 HydrophobicContact CB-CG1 4.13Å; P7-V43 HydrophobicContact CB-CG2 4.02Å; L8-V43 PolarHBondContact O-N 3.48Å; V9-V43 HydrophobicContact CG2-CG2 4.13Å; E41-V43 HydrophobicContact CG-CG1 4.07Å; E41-V43 PolarHBondContact O-N 3.47Å
44G98.3Very high97.5Very high13 Ų1334.3 Ų34.313%0.13420%0.195CC..EExtended strand (participates in β ladder)trans-167.6155.6177.300000113.8V9 L10 W78V9-G44 WeakPolarHBondContact CA-O 3.37Å; L10-G44 PolarHBondContact N-O 2.84Å; G44-W78 CarbonylContact C-O 3.57Å; G44-W78 WeakPolarHBondContact CA-O 3.31Å
45G98.8Very high97.3Very high1 Ų134.8 Ų34.81%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-129.1142.3171.400000110.4L10 W78 V79 T80L10-G45 CarbonylContact O-C 3.44Å; L10-G45 VanDerWaalsContact O-CA 3.28Å; L10-G45 WeakPolarHBondContact O-CA 3.49Å; G45-W78 PolarHBondContact N-O 3.08Å; G45-V79 CarbonylContact O-C 3.56Å; G45-V79 VanDerWaalsContact O-CA 3.31Å; G45-V79 WeakPolarHBondContact O-CA 3.4Å; G45-T80 PolarHBondContact O-N 2.78Å
46I98.9Very high97.2Very high17 Ų1735.9 Ų35.99%0.08720%0.204CC..EExtended strand (participates in β ladder)trans-129.3121.3-179.8-56.3174.1000108.7V9 L10 L11 A12 F27 T80 D82V9-I46 HydrophobicContact CG1-CD1 3.83Å; V9-I46 HydrophobicContact CG1-CG1 4.03Å; L10-I46 PolarHBondContact O-N 3.4Å; L11-I46 CarbonylContact C-O 3.44Å; L11-I46 WeakPolarHBondContact CA-O 3.41Å; L11-I46 HydrophobicContact CD1-CB 3.61Å; L11-I46 HydrophobicContact CD1-CG2 3.48Å; L11-I46 VanDerWaalsContact CD1-CG2 3.48Å; A12-I46 PolarHBondContact N-O 3.35Å; F27-I46 WeakPolarHBondContact CZ-O 3.39Å; I46-T80 CarbonylContact C-O 3.59Å; I46-T80 WeakPolarHBondContact CA-O 3.27Å; I46-D82 HydrophobicContact CG2-CB 3.64Å
47V98.9Very high97.2Very high1 Ų135.7 Ų35.71%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-90121.2163.3165.80000108F16 F27 P49 A69 L73 V79 T80 V81 D82F16-V47 HydrophobicContact CD1-CG1 4.17Å; F16-V47 HydrophobicContact CD2-CG1 3.92Å; F16-V47 HydrophobicContact CE1-CG1 3.94Å; F16-V47 HydrophobicContact CE1-CG2 4.41Å; F16-V47 HydrophobicContact CE2-CG1 3.69Å; F16-V47 HydrophobicContact CG-CG1 4.16Å; F16-V47 HydrophobicContact CZ-CB 4.48Å; F16-V47 HydrophobicContact CZ-CG1 3.7Å; F16-V47 HydrophobicContact CZ-CG2 4.41Å; F27-V47 HydrophobicContact CE2-CG2 3.49Å; F27-V47 VanDerWaalsContact CE2-CG2 3.49Å; F27-V47 HydrophobicContact CZ-CG2 3.71Å; V47-P49 HydrophobicContact CG1-CG 4.34Å; V47-P49 WeakPolarHBondContact O-CD 3.3Å; V47-A69 HydrophobicContact CG1-CB 4.18Å; V47-L73 HydrophobicContact CB-CD1 4.11Å; V47-L73 HydrophobicContact CG2-CD1 3.83Å; V47-V79 HydrophobicContact CG2-CG1 4.17Å; V47-T80 PolarHBondContact N-O 3.19Å; V47-V81 HydrophobicContact CB-CG2 4.47Å; V47-V81 WeakPolarHBondContact O-CA 3.38Å; V47-D82 PolarHBondContact O-N 2.88Å
48S98.8Very high97.3Very high0 Ų033.8 Ų33.80%018%0.181CC..EExtended strand (participates in β ladder)trans-116.296.2178.6-176.90000110.2A12 G14 E85A12-S48 PolarHBondContact O-N 2.77Å; G14-S48 PolarHBondContact N-O 3.41Å; S48-E85 WeakPolarHBondContact CB-OE2 3.01Å; S48-E85 WeakPolarHBondContact OG-CB 3.48Å; S48-E85 PolarHBondContact OG-OE2 3.24Å
49P98.7Very high97.4Very high0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-64.7133174.9-21.634.8000111.8G14 F16 V47 I66 V81 D82 S86G14-P49 WeakPolarHBondContact O-CA 3.31Å; F16-P49 HydrophobicContact CD2-CB 4.3Å; F16-P49 HydrophobicContact CD2-CG 4.29Å; V47-P49 HydrophobicContact CG1-CG 4.34Å; V47-P49 WeakPolarHBondContact O-CD 3.3Å; P49-I66 HydrophobicContact CB-CG1 4.33Å; P49-I66 HydrophobicContact CG-CG1 4.12Å; P49-V81 HydrophobicContact CG-CG1 4.13Å; P49-D82 WeakPolarHBondContact CD-O 3.44Å; P49-S86 WeakPolarHBondContact O-CB 3.4Å; P49-S86 PolarHBondContact O-N 3.32Å
50V98.3Very high97.5Very high7 Ų726.3 Ų26.34%0.04214%0.143CC..PPolyproline II helixtrans-61.9151.3178.875.10000112.1G14 Y54 L59 R65 E85G14-V50 PolarHBondContact O-N 2.72Å; V50-Y54 HydrophobicContact CG1-CD1 4.07Å; V50-Y54 HydrophobicContact CG1-CG 4.38Å; V50-Y54 HydrophobicContact CG2-CD1 4.24Å; V50-Y54 HydrophobicContact CG2-CD2 4.33Å; V50-Y54 HydrophobicContact CG2-CG 3.85Å; V50-L59 HydrophobicContact CG1-CD1 4.49Å; V50-L59 HydrophobicContact CG1-CD2 4.22Å; V50-R65 VanDerWaalsContact O-CZ 3.3Å; V50-R65 PolarHBondContact O-NH1 3.16Å; V50-R65 PolarHBondContact O-NH2 2.93Å; V50-E85 VanDerWaalsContact CA-OE1 3.31Å; V50-E85 WeakPolarHBondContact CA-OE1 3.37Å; V50-E85 WeakPolarHBondContact CG2-OE1 3.48Å
51S97.7Very high97.6Very high6 Ų627.4 Ų27.44%0.04215%0.152CC..PPolyproline II helixtrans-59.8149.4168.7176.10000112.4G53 Y54 Q88S51-G53 PolarHBondContact O-N 3.42Å; S51-G53 PolarHBondContact OG-N 3.3Å; S51-G53 VanDerWaalsContact OG-N 3.16Å; S51-Y54 VanDerWaalsContact O-CB 3.27Å; S51-Y54 WeakPolarHBondContact O-CB 3.16Å; S51-Y54 PolarHBondContact O-N 2.96Å; S51-Y54 VanDerWaalsContact O-N 3.08Å; S51-Q88 PolarHBondContact OG-O 3.3Å
52D97.2Very high97.6Very high49 Ų4923.1 Ų23.126%0.26213%0.134SC..G310 helixtrans-61.6-24.1171.7-74.5-8.5000112.1Y54 G55 P61 A62 R65 R243D52-Y54 PolarHBondContact O-N 3.24Å; D52-Y54 VanDerWaalsContact O-N 3.07Å; D52-G55 PolarHBondContact O-N 2.72Å; D52-P61 VanDerWaalsContact OD2-CA 3.31Å; D52-P61 WeakPolarHBondContact OD2-CA 3.5Å; D52-A62 VanDerWaalsContact CG-N 3.31Å; D52-A62 WeakPolarHBondContact OD1-CA 3.35Å; D52-A62 WeakPolarHBondContact OD1-CB 3.2Å; D52-A62 PolarHBondContact OD1-N 3.4Å; D52-A62 PolarHBondContact OD2-N 3.15Å; D52-A62 VanDerWaalsContact OD2-N 3.08Å; D52-R65 IonicContact OD1-CZ 3.36Å; D52-R65 IonicContact OD1-NH2 2.72Å; D52-R65 PolarHBondContact OD1-NH2 3.47Å; D52-R243 IonicContact OD2-NH2 3.09Å
53G95.9Very high97.6Very high28 Ų2829 Ų2929%0.28916%0.158SC..G310 helixtrans-60.5-12.6172.700000114S51 G55 R250S51-G53 PolarHBondContact O-N 3.42Å; S51-G53 PolarHBondContact OG-N 3.3Å; S51-G53 VanDerWaalsContact OG-N 3.16Å; G53-G55 PolarHBondContact O-N 3.44Å; G53-R250 WeakPolarHBondContact O-CB 3.47Å; G53-R250 WeakPolarHBondContact O-CG 3.48Å
54Y96.2Very high97.7Very high42 Ų4226.2 Ų26.217%0.16514%0.14CC..G310 helixtrans-60.1-29.2174.9-175.3-132.5000113.1V50 S51 D52 K56 L59 W91 L249 R250 P251V50-Y54 HydrophobicContact CG1-CD1 4.07Å; V50-Y54 HydrophobicContact CG1-CG 4.38Å; V50-Y54 HydrophobicContact CG2-CD1 4.24Å; V50-Y54 HydrophobicContact CG2-CD2 4.33Å; V50-Y54 HydrophobicContact CG2-CG 3.85Å; S51-Y54 VanDerWaalsContact O-CB 3.27Å; S51-Y54 WeakPolarHBondContact O-CB 3.16Å; S51-Y54 PolarHBondContact O-N 2.96Å; S51-Y54 VanDerWaalsContact O-N 3.08Å; D52-Y54 PolarHBondContact O-N 3.24Å; D52-Y54 VanDerWaalsContact O-N 3.07Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 HydrophobicContact CD1-CB 3.58Å; Y54-K56 HydrophobicContact CD1-CD 4.49Å; Y54-K56 HydrophobicContact CE1-CB 3.69Å; Y54-K56 HydrophobicContact CE1-CD 3.97Å; Y54-K56 HydrophobicContact CE1-CG 4.29Å; Y54-K56 PolarHBondContact O-N 3.09Å; Y54-L59 HydrophobicContact CD1-CD2 4.48Å; Y54-W91 AromaticContact CD2-CD1 3.47Å; Y54-W91 VanDerWaalsContact CD2-CD1 3.47Å; Y54-W91 HydrophobicContact CD2-CG 4.13Å; Y54-W91 AromaticContact CD2-NE1 3.53Å; Y54-L249 HydrophobicContact CE1-CD2 4.2Å; Y54-L249 HydrophobicContact CE2-CD2 4.39Å; Y54-R250 PolarHBondContact O-N 2.97Å; Y54-P251 HydrophobicContact CD2-CG 4.19Å; Y54-P251 HydrophobicContact CE2-CG 3.69Å
55G92.9Very high97.7Very high10 Ų1025.6 Ų25.610%0.10313%0.133CC..  trans70.618.2173.100000114.7D52 G53 Q57 N244D52-G55 PolarHBondContact O-N 2.72Å; G53-G55 PolarHBondContact O-N 3.44Å; G55-Q57 PolarHBondContact O-N 3.29Å; G55-N244 WeakPolarHBondContact O-CB 3.4Å
56K96Very high97.7Very high80 Ų8026.1 Ų26.135%0.34814%0.136SC..  trans-64.4135.5176.2-174.7179.7-174.2167.50110.7Y54 G58 L59 N244 L249Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 HydrophobicContact CD1-CB 3.58Å; Y54-K56 HydrophobicContact CD1-CD 4.49Å; Y54-K56 HydrophobicContact CE1-CB 3.69Å; Y54-K56 HydrophobicContact CE1-CD 3.97Å; Y54-K56 HydrophobicContact CE1-CG 4.29Å; Y54-K56 PolarHBondContact O-N 3.09Å; K56-G58 PolarHBondContact O-N 3.25Å; K56-L59 HydrophobicContact CB-CB 4.25Å; K56-L59 HydrophobicContact CB-CD2 4.47Å; K56-L59 WeakPolarHBondContact O-CB 3.36Å; K56-L59 PolarHBondContact O-N 3.26Å; K56-L59 VanDerWaalsContact O-N 3.16Å; K56-N244 PolarHBondContact O-ND2 3.3Å; K56-L249 HydrophobicContact CB-CD2 3.83Å; K56-L249 HydrophobicContact CG-CD2 4.27Å
57Q97.4Very high97.7Very high89 Ų8927.2 Ų27.242%0.41615%0.145SC..THydrogen-bonded Turntrans-55.5135.9172.8-176.3175.1-4.700111G55 L59 E241 R243G55-Q57 PolarHBondContact O-N 3.29Å; Q57-L59 PolarHBondContact O-N 2.92Å; Q57-E241 WeakPolarHBondContact CG-O 3.47Å; Q57-R243 CarbonylContact C-O 3.54Å; Q57-R243 VanDerWaalsContact CA-O 3.3Å; Q57-R243 WeakPolarHBondContact CA-O 3.39Å
58G97.6Very high97.7Very high0 Ų027.2 Ų27.20%015%0.145CC..THydrogen-bonded Turntrans75.94-179.900000115.3N17 K56 V60 S240 E241 R243N17-G58 PolarHBondContact ND2-O 2.91Å; K56-G58 PolarHBondContact O-N 3.25Å; G58-V60 PolarHBondContact O-N 2.94Å; G58-S240 VanDerWaalsContact CA-O 3.3Å; G58-S240 WeakPolarHBondContact CA-O 3.39Å; G58-E241 PolarHBondContact N-O 3.48Å; G58-R243 PolarHBondContact N-O 3.05Å
59L98.1Very high97.7Very high0 Ų027.2 Ų27.20%015%0.145CC..  trans-72.2107.1-177.3-170.767.7000111.2N17 V50 Y54 K56 Q57 R243N17-L59 HydrophobicContact CB-CD1 4.08Å; V50-L59 HydrophobicContact CG1-CD1 4.49Å; V50-L59 HydrophobicContact CG1-CD2 4.22Å; Y54-L59 HydrophobicContact CD1-CD2 4.48Å; K56-L59 HydrophobicContact CB-CB 4.25Å; K56-L59 HydrophobicContact CB-CD2 4.47Å; K56-L59 WeakPolarHBondContact O-CB 3.36Å; K56-L59 PolarHBondContact O-N 3.26Å; K56-L59 VanDerWaalsContact O-N 3.16Å; Q57-L59 PolarHBondContact O-N 2.92Å; L59-R243 VanDerWaalsContact O-CD 3.3Å; L59-R243 WeakPolarHBondContact O-CD 3.41Å; L59-R243 PolarHBondContact O-NE 3.13Å
60V98.3Very high97.8Very high3 Ų332.1 Ų32.12%0.01817%0.166CC..  trans-70.8158.8175.8-49.50000110.6N17 G58 H64 R65 M68 Y236N17-V60 WeakPolarHBondContact OD1-CG2 3.5Å; N17-V60 PolarHBondContact OD1-N 3.32Å; G58-V60 PolarHBondContact O-N 2.94Å; V60-H64 HydrophobicContact CG2-CB 4.2Å; V60-R65 HydrophobicContact CG2-CG 3.63Å; V60-R65 WeakPolarHBondContact O-CD 3.35Å; V60-R65 PolarHBondContact O-NE 3.34Å; V60-M68 HydrophobicContact CG2-CE 4.46Å; V60-Y236 HydrophobicContact CG1-CD1 3.92Å; V60-Y236 HydrophobicContact CG1-CE1 3.56Å; V60-Y236 HydrophobicContact CG2-CE1 4.29Å
61P98.3Very high97.8Very high36 Ų3634.2 Ų34.223%0.23418%0.177CC..  trans-52.4142.1-176.3-21.527000113.8D52 K63 H64 R65 R243D52-P61 VanDerWaalsContact OD2-CA 3.31Å; D52-P61 WeakPolarHBondContact OD2-CA 3.5Å; P61-K63 HydrophobicContact CB-CG 4.14Å; P61-K63 PolarHBondContact O-N 3.46Å; P61-K63 VanDerWaalsContact O-N 3.16Å; P61-H64 PolarHBondContact O-N 3.28Å; P61-R65 PolarHBondContact O-N 3.34Å; P61-R243 VanDerWaalsContact CG-NH1 3.25Å
62A98.4Very high97.8Very high10 Ų1034.2 Ų34.28%0.08318%0.177CC..Hα-helixtrans-52.8-40.6-176.800000113.3D52 H64 R65 I66D52-A62 VanDerWaalsContact CG-N 3.31Å; D52-A62 WeakPolarHBondContact OD1-CA 3.35Å; D52-A62 WeakPolarHBondContact OD1-CB 3.2Å; D52-A62 PolarHBondContact OD1-N 3.4Å; D52-A62 PolarHBondContact OD2-N 3.15Å; D52-A62 VanDerWaalsContact OD2-N 3.08Å; A62-H64 PolarHBondContact O-N 3.1Å; A62-H64 VanDerWaalsContact O-N 3.12Å; A62-R65 VanDerWaalsContact CA-NH2 3.32Å; A62-R65 PolarHBondContact O-N 3.01Å; A62-I66 HydrophobicContact CB-CD1 4.33Å; A62-I66 WeakPolarHBondContact O-CD1 3.2Å; A62-I66 VanDerWaalsContact O-CG1 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.49Å; A62-I66 PolarHBondContact O-N 3.48Å
63K98.6Very high97.9Very high137 Ų13732.7 Ų32.760%0.59617%0.169SC*.Hα-helixtrans-51.2-38177.368.8178.7-174.5176.60113.3P61 S67P61-K63 HydrophobicContact CB-CG 4.14Å; P61-K63 PolarHBondContact O-N 3.46Å; P61-K63 VanDerWaalsContact O-N 3.16Å; K63-S67 WeakPolarHBondContact O-CB 3.49Å; K63-S67 PolarHBondContact O-N 2.87Å; K63-S67 VanDerWaalsContact O-N 3.12Å; K63-S67 PolarHBondContact O-OG 2.97Å
64H98.8Very high98Very high22 Ų2237.9 Ų37.910%0.10219%0.186CC..Hα-helixtrans-75.7-43179.7-66.9-61.3000110.9V60 P61 A62 I66 S67 M68 Y229 L235V60-H64 HydrophobicContact CG2-CB 4.2Å; P61-H64 PolarHBondContact O-N 3.28Å; A62-H64 PolarHBondContact O-N 3.1Å; A62-H64 VanDerWaalsContact O-N 3.12Å; H64-I66 VanDerWaalsContact C-N 3.34Å; H64-I66 PolarHBondContact O-N 3.01Å; H64-S67 PolarHBondContact O-N 3.07Å; H64-M68 HydrophobicContact CB-CE 4.28Å; H64-M68 WeakPolarHBondContact O-CB 3.43Å; H64-M68 WeakPolarHBondContact O-CE 3.3Å; H64-M68 WeakPolarHBondContact O-CG 3.42Å; H64-M68 PolarHBondContact O-N 3.36Å; H64-Y229 HydrophobicContact CB-CE1 4.11Å; H64-Y229 AromaticContact ND1-CE1 3.71Å; H64-Y229 AromaticContact ND1-CZ 3.7Å; H64-Y229 PolarHBondContact ND1-OH 2.85Å; H64-L235 HydrophobicContact CB-CD1 3.82Å; H64-L235 HydrophobicContact CB-CD2 4.48Å
65R98.8Very high98Very high0 Ų041.2 Ų41.20%022%0.215CC..Hα-helixtrans-63.8-40.7179.6-60.9-177.4-68.9102.2-2.2111.6S15 V50 D52 V60 P61 A62 M68 A69S15-R65 VanDerWaalsContact O-CD 3.29Å; S15-R65 WeakPolarHBondContact O-CD 3.01Å; S15-R65 PolarHBondContact O-NH1 2.64Å; V50-R65 VanDerWaalsContact O-CZ 3.3Å; V50-R65 PolarHBondContact O-NH1 3.16Å; V50-R65 PolarHBondContact O-NH2 2.93Å; D52-R65 IonicContact OD1-CZ 3.36Å; D52-R65 IonicContact OD1-NH2 2.72Å; D52-R65 PolarHBondContact OD1-NH2 3.47Å; V60-R65 HydrophobicContact CG2-CG 3.63Å; V60-R65 WeakPolarHBondContact O-CD 3.35Å; V60-R65 PolarHBondContact O-NE 3.34Å; P61-R65 PolarHBondContact O-N 3.34Å; A62-R65 VanDerWaalsContact CA-NH2 3.32Å; A62-R65 PolarHBondContact O-N 3.01Å; R65-M68 HydrophobicContact CG-CE 4.37Å; R65-A69 VanDerWaalsContact O-CB 3.29Å; R65-A69 WeakPolarHBondContact O-CB 3.5Å; R65-A69 PolarHBondContact O-N 3.41Å
66I98.9Very high98.3Very high12 Ų1242.4 Ų42.46%0.06222%0.222CC..Hα-helixtrans-61.4-49172.4-65160.3000110.6P49 A62 H64 M68 A69 K70 V81 E83 S86P49-I66 HydrophobicContact CB-CG1 4.33Å; P49-I66 HydrophobicContact CG-CG1 4.12Å; A62-I66 HydrophobicContact CB-CD1 4.33Å; A62-I66 WeakPolarHBondContact O-CD1 3.2Å; A62-I66 VanDerWaalsContact O-CG1 3.23Å; A62-I66 WeakPolarHBondContact O-CG1 3.49Å; A62-I66 PolarHBondContact O-N 3.48Å; H64-I66 VanDerWaalsContact C-N 3.34Å; H64-I66 PolarHBondContact O-N 3.01Å; I66-M68 PolarHBondContact O-N 2.95Å; I66-A69 PolarHBondContact O-N 2.82Å; I66-K70 HydrophobicContact CG2-CD 4.26Å; I66-K70 WeakPolarHBondContact O-CG 3.49Å; I66-K70 PolarHBondContact O-N 2.91Å; I66-V81 HydrophobicContact CG2-CG1 4.32Å; I66-E83 HydrophobicContact CD1-CB 4.36Å; I66-E83 HydrophobicContact CD1-CG 4.05Å; I66-E83 HydrophobicContact CG1-CG 4.28Å; I66-E83 HydrophobicContact CG2-CG 3.68Å; I66-E83 WeakPolarHBondContact CG2-OE1 3.27Å; I66-S86 WeakPolarHBondContact CD1-OG 3.34Å
67S98.9Very high98.4Very high40 Ų4045.7 Ų45.728%0.2824%0.243SC..Hα-helixtrans-60.6-46.7-179.5-600000111.5K63 H64 A69 K70 L71 Y229K63-S67 WeakPolarHBondContact O-CB 3.49Å; K63-S67 PolarHBondContact O-N 2.87Å; K63-S67 VanDerWaalsContact O-N 3.12Å; K63-S67 PolarHBondContact O-OG 2.97Å; H64-S67 PolarHBondContact O-N 3.07Å; S67-A69 PolarHBondContact O-N 3.21Å; S67-K70 PolarHBondContact O-N 3.41Å; S67-L71 WeakPolarHBondContact O-CG 3.27Å; S67-L71 PolarHBondContact O-N 3.05Å; S67-Y229 VanDerWaalsContact CB-CZ 3.45Å; S67-Y229 WeakPolarHBondContact CB-OH 3.3Å; S67-Y229 PolarHBondContact OG-OH 2.8Å
68M98.9Very high98.4Very high0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-62.2-40.9175.3-71.3-175.1-7300112.2P18 I19 V60 H64 R65 I66 L71 A72 V226 Y229 I230 L235 Y236P18-M68 HydrophobicContact CB-CE 4.14Å; P18-M68 HydrophobicContact CB-SD 3.84Å; I19-M68 HydrophobicContact CG2-CB 4.32Å; V60-M68 HydrophobicContact CG2-CE 4.46Å; H64-M68 HydrophobicContact CB-CE 4.28Å; H64-M68 WeakPolarHBondContact O-CB 3.43Å; H64-M68 WeakPolarHBondContact O-CE 3.3Å; H64-M68 WeakPolarHBondContact O-CG 3.42Å; H64-M68 PolarHBondContact O-N 3.36Å; R65-M68 HydrophobicContact CG-CE 4.37Å; I66-M68 PolarHBondContact O-N 2.95Å; M68-L71 PolarHBondContact O-N 3.42Å; M68-A72 VanDerWaalsContact O-CB 3.31Å; M68-A72 WeakPolarHBondContact O-CB 3.3Å; M68-A72 PolarHBondContact O-N 3.02Å; M68-V226 HydrophobicContact CB-CG1 4Å; M68-V226 HydrophobicContact CB-CG2 4.5Å; M68-V226 HydrophobicContact CG-CG1 3.91Å; M68-V226 WeakPolarHBondContact O-CG2 3.22Å; M68-V226 HydrophobicContact SD-CG1 3.93Å; M68-Y229 HydrophobicContact CG-CD1 3.4Å; M68-Y229 HydrophobicContact CG-CE1 3.83Å; M68-Y229 HydrophobicContact CG-CG 4.18Å; M68-Y229 HydrophobicContact SD-CD1 4.12Å; M68-I230 HydrophobicContact SD-CD1 3.95Å; M68-I230 HydrophobicContact SD-CG1 3.56Å; M68-I230 VanDerWaalsContact SD-CG1 3.56Å; M68-L235 HydrophobicContact CE-CD1 4.1Å; M68-L235 HydrophobicContact SD-CD1 4.26Å; M68-Y236 HydrophobicContact CE-CE2 4.16Å; M68-Y236 WeakPolarHBondContact CE-OH 3.39Å; M68-Y236 HydrophobicContact SD-CE2 4.11Å
69A98.8Very high98.5Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-63.2-41.117600000112.2I19 V47 R65 I66 S67 A72 L73 V81I19-A69 HydrophobicContact CD1-CB 4.13Å; V47-A69 HydrophobicContact CG1-CB 4.18Å; R65-A69 VanDerWaalsContact O-CB 3.29Å; R65-A69 WeakPolarHBondContact O-CB 3.5Å; R65-A69 PolarHBondContact O-N 3.41Å; I66-A69 PolarHBondContact O-N 2.82Å; S67-A69 PolarHBondContact O-N 3.21Å; A69-A72 PolarHBondContact O-N 2.76Å; A69-L73 WeakPolarHBondContact O-CB 3.38Å; A69-L73 WeakPolarHBondContact O-CG 3.48Å; A69-L73 PolarHBondContact O-N 3.18Å; A69-V81 HydrophobicContact CB-CG1 4.31Å; A69-V81 HydrophobicContact CB-CG2 3.6Å
70K98.9Very high98.5Very high104 Ų10447.2 Ų47.245%0.45226%0.256SS..Hα-helixtrans-64.8-44.8175.8-72.7180179.6-179.80111.8I66 S67 A72 L73 Q74 V81 E83I66-K70 HydrophobicContact CG2-CD 4.26Å; I66-K70 WeakPolarHBondContact O-CG 3.49Å; I66-K70 PolarHBondContact O-N 2.91Å; S67-K70 PolarHBondContact O-N 3.41Å; K70-A72 VanDerWaalsContact C-N 3.32Å; K70-A72 PolarHBondContact O-N 2.91Å; K70-L73 CarbonylContact O-C 3.6Å; K70-L73 PolarHBondContact O-N 3.29Å; K70-Q74 PolarHBondContact O-N 3.34Å; K70-V81 HydrophobicContact CG-CB 4Å; K70-V81 HydrophobicContact CG-CG2 3.88Å; K70-E83 WeakPolarHBondContact CE-OE1 3.22Å; K70-E83 IonicContact NZ-OE1 2.69Å; K70-E83 PolarHBondContact NZ-OE1 2.91Å
71L98.9Very high98.5Very high51 Ų5148.2 Ų48.227%0.26726%0.262SS..Hα-helixtrans-62.3-39.3176.3-72.1169.7000112.1S67 M68 L73 Q74 S225 V226 Y229S67-L71 WeakPolarHBondContact O-CG 3.27Å; S67-L71 PolarHBondContact O-N 3.05Å; M68-L71 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-Q74 VanDerWaalsContact O-CG 3.24Å; L71-Q74 WeakPolarHBondContact O-CG 3.24Å; L71-S225 PolarHBondContact O-OG 2.88Å; L71-V226 HydrophobicContact CB-CG2 4.26Å; L71-Y229 HydrophobicContact CD1-CD2 3.64Å; L71-Y229 HydrophobicContact CD1-CG 3.83Å
72A98.7Very high98.5Very high6 Ų647.5 Ų47.55%0.0526%0.256CS..Hα-helixtrans-66.9-36.117700000112.7I19 M24 M68 A69 K70 P223 V226I19-A72 HydrophobicContact CD1-CB 4.06Å; I19-A72 HydrophobicContact CG1-CB 4.44Å; I19-A72 HydrophobicContact CG2-CB 3.6Å; M24-A72 HydrophobicContact SD-CB 3.92Å; M24-A72 VanDerWaalsContact SD-O 3.34Å; M68-A72 VanDerWaalsContact O-CB 3.31Å; M68-A72 WeakPolarHBondContact O-CB 3.3Å; M68-A72 PolarHBondContact O-N 3.02Å; A69-A72 PolarHBondContact O-N 2.76Å; K70-A72 VanDerWaalsContact C-N 3.32Å; K70-A72 PolarHBondContact O-N 2.91Å; A72-P223 HydrophobicContact CB-CG 3.96Å; A72-V226 HydrophobicContact CB-CG2 3.89Å
73L98.6Very high98.5Very high16 Ų1649.5 Ų49.58%0.08426%0.264CS..THydrogen-bonded Turntrans-94.45.5-176.5-65.8174.4000113.9M24 V47 A69 K70 L71 S75 S76 V79 V81M24-L73 HydrophobicContact CG-CD2 4.04Å; M24-L73 HydrophobicContact SD-CD2 4.23Å; V47-L73 HydrophobicContact CB-CD1 4.11Å; V47-L73 HydrophobicContact CG2-CD1 3.83Å; A69-L73 WeakPolarHBondContact O-CB 3.38Å; A69-L73 WeakPolarHBondContact O-CG 3.48Å; A69-L73 PolarHBondContact O-N 3.18Å; K70-L73 CarbonylContact O-C 3.6Å; K70-L73 PolarHBondContact O-N 3.29Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L73-S75 PolarHBondContact O-N 3.16Å; L73-S75 VanDerWaalsContact O-N 3.11Å; L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.48Å; L73-S76 PolarHBondContact O-N 2.75Å; L73-V79 HydrophobicContact CD1-CG1 3.89Å; L73-V79 HydrophobicContact CD2-CB 4.12Å; L73-V79 HydrophobicContact CD2-CG1 4.02Å; L73-V81 HydrophobicContact CD1-CG2 3.77Å
74Q97.4Very high98.5Very high138 Ų13845.3 Ų45.365%0.64524%0.244SC*.THydrogen-bonded Turntrans-58.2-29.5-175.570.8-175.9-1600114K70 L71K70-Q74 PolarHBondContact O-N 3.34Å; L71-Q74 VanDerWaalsContact O-CG 3.24Å; L71-Q74 WeakPolarHBondContact O-CG 3.24Å
75S97Very high98.5Very high112 Ų11244.4 Ų44.478%0.78324%0.24SC*.THydrogen-bonded Turntrans-92.5-3.2177.263.70000113.3L73L73-S75 PolarHBondContact O-N 3.16Å; L73-S75 VanDerWaalsContact O-N 3.11Å
76S98.3Very high98.5Very high35 Ų3545 Ų4525%0.24524%0.244CC..  trans-78133.7177-172.50000110L73 W78 V79L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.48Å; L73-S76 PolarHBondContact O-N 2.75Å; S76-W78 PolarHBondContact OG-N 3.24Å; S76-V79 WeakPolarHBondContact OG-CB 3.33Å; S76-V79 PolarHBondContact OG-N 3.3Å
77N98Very high98.4Very high148 Ų14850.7 Ų50.779%0.79127%0.27SS*.SBendtrans-97.40.7176.164.1-10.2000113.5
78W98.5Very high98.3Very high27 Ų2751.1 Ų51.110%0.10227%0.268CS..SBendtrans-144.1-13.5-172.175.8-78.4000114.7L10 F27 E28 R31 V42 G44 G45 S76L10-W78 HydrophobicContact CD1-CH2 4.26Å; L10-W78 HydrophobicContact CD1-CZ3 4.32Å; F27-W78 HydrophobicContact CB-CH2 3.64Å; F27-W78 HydrophobicContact CB-CZ2 3.68Å; F27-W78 AromaticContact CD1-CH2 3.84Å; F27-W78 HydrophobicContact CD1-CH2 3.84Å; F27-W78 HydrophobicContact CD1-CZ3 4.17Å; F27-W78 HydrophobicContact CG-CH2 4.24Å; F27-W78 WeakPolarHBondContact O-CH2 3.35Å; E28-W78 WeakPolarHBondContact OE1-CZ2 3.28Å; E28-W78 PolarHBondContact OE1-NE1 3.13Å; R31-W78 HydrophobicContact CB-CH2 3.7Å; R31-W78 HydrophobicContact CB-CZ2 3.93Å; R31-W78 HydrophobicContact CB-CZ3 4.42Å; R31-W78 HydrophobicContact CG-CH2 4.34Å; R31-W78 HydrophobicContact CG-CZ2 4.44Å; R31-W78 VanDerWaalsContact CZ-NE1 3.28Å; R31-W78 VanDerWaalsContact NH1-NE1 3.16Å; V42-W78 HydrophobicContact CG1-CE3 3.93Å; V42-W78 HydrophobicContact CG1-CH2 4.28Å; V42-W78 HydrophobicContact CG1-CZ3 3.46Å; V42-W78 VanDerWaalsContact CG1-CZ3 3.46Å; G44-W78 CarbonylContact C-O 3.57Å; G44-W78 WeakPolarHBondContact CA-O 3.31Å; G45-W78 PolarHBondContact N-O 3.08Å; S76-W78 PolarHBondContact OG-N 3.24Å
79V98.8Very high98Very high6 Ų657.5 Ų57.54%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-111.6126.9176.2-170.80000109.4F27 G45 V47 L73 S76F27-V79 HydrophobicContact CB-CG2 4.04Å; F27-V79 HydrophobicContact CD1-CG1 3.96Å; F27-V79 HydrophobicContact CD1-CG2 3.83Å; F27-V79 HydrophobicContact CD2-CG1 4.23Å; F27-V79 HydrophobicContact CE1-CG1 3.85Å; F27-V79 HydrophobicContact CE1-CG2 4.48Å; F27-V79 HydrophobicContact CE2-CG1 4.13Å; F27-V79 HydrophobicContact CG-CG1 4.15Å; F27-V79 HydrophobicContact CG-CG2 3.95Å; F27-V79 HydrophobicContact CZ-CG1 3.93Å; G45-V79 CarbonylContact O-C 3.56Å; G45-V79 VanDerWaalsContact O-CA 3.31Å; G45-V79 WeakPolarHBondContact O-CA 3.4Å; V47-V79 HydrophobicContact CG2-CG1 4.17Å; L73-V79 HydrophobicContact CD1-CG1 3.89Å; L73-V79 HydrophobicContact CD2-CB 4.12Å; L73-V79 HydrophobicContact CD2-CG1 4.02Å; S76-V79 WeakPolarHBondContact OG-CB 3.33Å; S76-V79 PolarHBondContact OG-N 3.3Å
80T98.6Very high97.8Very high88 Ų8859.9 Ų59.954%0.5432%0.322SS..EExtended strand (participates in β ladder)trans-121.8166.8178.560.10000111.4G45 I46 V47G45-T80 PolarHBondContact O-N 2.78Å; I46-T80 CarbonylContact C-O 3.59Å; I46-T80 WeakPolarHBondContact CA-O 3.27Å; V47-T80 PolarHBondContact N-O 3.19Å
81V98.8Very high97.7Very high25 Ų2556 Ų5615%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-98132171.5-176.80000108.6V47 P49 I66 A69 K70 L73V47-V81 HydrophobicContact CB-CG2 4.47Å; V47-V81 WeakPolarHBondContact O-CA 3.38Å; P49-V81 HydrophobicContact CG-CG1 4.13Å; I66-V81 HydrophobicContact CG2-CG1 4.32Å; A69-V81 HydrophobicContact CB-CG1 4.31Å; A69-V81 HydrophobicContact CB-CG2 3.6Å; K70-V81 HydrophobicContact CG-CB 4Å; K70-V81 HydrophobicContact CG-CG2 3.88Å; L73-V81 HydrophobicContact CD1-CG2 3.77Å
82D98.7Very high97.5Very high21 Ų2154.3 Ų54.311%0.11230%0.297CS..  trans-111.5136.7166.9-160.9-75.9000110.3I46 V47 P49 W84 H101 R104I46-D82 HydrophobicContact CG2-CB 3.64Å; V47-D82 PolarHBondContact O-N 2.88Å; P49-D82 WeakPolarHBondContact CD-O 3.44Å; D82-W84 WeakPolarHBondContact OD1-CB 3.47Å; D82-W84 PolarHBondContact OD1-N 2.86Å; D82-H101 VanDerWaalsContact CG-CE1 3.41Å; D82-H101 IonicContact OD1-CE1 3.16Å; D82-H101 IonicContact OD2-CE1 3.59Å; D82-R104 IonicContact OD1-NH1 2.59Å; D82-R104 PolarHBondContact OD1-NH1 3.47Å; D82-R104 IonicContact OD2-CZ 2.83Å; D82-R104 IonicContact OD2-NH1 2.91Å; D82-R104 PolarHBondContact OD2-NH1 3.22Å; D82-R104 IonicContact OD2-NH2 3.86Å; D82-R104 PolarHBondContact OD2-NH2 2.92Å
83E98.4Very high97.5Very high51 Ų5155 Ų5524%0.23830%0.299CS..  trans-99.1-6.7-173-60-177.7-157.800112.9I66 K70 E85 S86 Q87I66-E83 HydrophobicContact CD1-CB 4.36Å; I66-E83 HydrophobicContact CD1-CG 4.05Å; I66-E83 HydrophobicContact CG1-CG 4.28Å; I66-E83 HydrophobicContact CG2-CG 3.68Å; I66-E83 WeakPolarHBondContact CG2-OE1 3.27Å; K70-E83 WeakPolarHBondContact CE-OE1 3.22Å; K70-E83 IonicContact NZ-OE1 2.69Å; K70-E83 PolarHBondContact NZ-OE1 2.91Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.04Å; E83-S86 PolarHBondContact O-N 3.18Å; E83-S86 PolarHBondContact O-OG 3.43Å; E83-Q87 HydrophobicContact CB-CG 4.22Å; E83-Q87 WeakPolarHBondContact O-CG 3.37Å; E83-Q87 PolarHBondContact O-N 3.45Å; E83-Q87 PolarHBondContact OE2-NE2 3.43Å
84W98.6Very high97.4Very high49 Ų4954.8 Ų54.819%0.18630%0.298CS..THydrogen-bonded Turntrans-54.8-47.4-170175.884.1000112.3D82 S86 Q87 Q88 V96 T97 Y100D82-W84 WeakPolarHBondContact OD1-CB 3.47Å; D82-W84 PolarHBondContact OD1-N 2.86Å; W84-S86 VanDerWaalsContact C-N 3.32Å; W84-S86 PolarHBondContact O-N 3Å; W84-Q87 PolarHBondContact O-N 3.27Å; W84-Q88 VanDerWaalsContact CE2-NE2 3.31Å; W84-Q88 HydrophobicContact CH2-CG 4.24Å; W84-Q88 HydrophobicContact CZ2-CG 4.27Å; W84-Q88 HydrophobicContact CZ3-CG 4.37Å; W84-Q88 WeakPolarHBondContact O-CG 3.48Å; W84-Q88 PolarHBondContact O-N 3.05Å; W84-Q88 PolarHBondContact O-NE2 3.48Å; W84-V96 HydrophobicContact CH2-CG1 4.16Å; W84-T97 HydrophobicContact CE3-CG2 4.44Å; W84-T97 HydrophobicContact CZ3-CG2 4.36Å; W84-Y100 HydrophobicContact CB-CD1 4.16Å; W84-Y100 HydrophobicContact CB-CE1 3.43Å; W84-Y100 VanDerWaalsContact CB-CE1 3.43Å; W84-Y100 AromaticContact CD1-CE1 3.65Å; W84-Y100 AromaticContact CD1-CE2 3.45Å; W84-Y100 VanDerWaalsContact CD1-CE2 3.45Å; W84-Y100 AromaticContact CD1-CZ 3.18Å; W84-Y100 AromaticContact CD2-CD1 3.42Å; W84-Y100 HydrophobicContact CD2-CD1 3.42Å; W84-Y100 VanDerWaalsContact CD2-CD1 3.42Å; W84-Y100 AromaticContact CD2-CD2 3.94Å; W84-Y100 HydrophobicContact CD2-CD2 3.94Å; W84-Y100 AromaticContact CD2-CE1 3.52Å; W84-Y100 HydrophobicContact CD2-CE1 3.52Å; W84-Y100 HydrophobicContact CD2-CE2 4.04Å; W84-Y100 AromaticContact CD2-CG 3.64Å; W84-Y100 HydrophobicContact CD2-CG 3.64Å; W84-Y100 AromaticContact CD2-CZ 3.82Å; W84-Y100 AromaticContact CE2-CD1 3.94Å; W84-Y100 AromaticContact CE2-CD2 3.55Å; W84-Y100 AromaticContact CE2-CE2 3.75Å; W84-Y100 AromaticContact CE2-CG 3.64Å; W84-Y100 AromaticContact CE3-CD1 3.61Å; W84-Y100 HydrophobicContact CE3-CD1 3.61Å; W84-Y100 HydrophobicContact CE3-CE1 4.09Å; W84-Y100 AromaticContact CE3-CG 3.89Å; W84-Y100 HydrophobicContact CE3-CG 3.89Å; W84-Y100 AromaticContact CG-CD1 3.68Å; W84-Y100 HydrophobicContact CG-CD1 3.68Å; W84-Y100 HydrophobicContact CG-CD2 4.27Å; W84-Y100 AromaticContact CG-CE1 3.19Å; W84-Y100 HydrophobicContact CG-CE1 3.19Å; W84-Y100 AromaticContact CG-CE2 3.86Å; W84-Y100 HydrophobicContact CG-CE2 3.86Å; W84-Y100 HydrophobicContact CG-CG 4.18Å; W84-Y100 AromaticContact CG-CZ 3.29Å; W84-Y100 HydrophobicContact CH2-CG 4.21Å; W84-Y100 AromaticContact CZ2-CD2 3.93Å; W84-Y100 HydrophobicContact CZ2-CD2 3.93Å; W84-Y100 AromaticContact CZ2-CG 3.94Å; W84-Y100 HydrophobicContact CZ2-CG 3.94Å; W84-Y100 HydrophobicContact CZ3-CD1 4.29Å; W84-Y100 HydrophobicContact CZ3-CG 4.19Å; W84-Y100 AromaticContact NE1-CD2 3.62Å; W84-Y100 AromaticContact NE1-CE2 3.33Å; W84-Y100 VanDerWaalsContact NE1-CE2 3.33Å; W84-Y100 AromaticContact NE1-CZ 3.6Å
85E98.4Very high97.5Very high4 Ų448.3 Ų48.32%0.01927%0.268CS..THydrogen-bonded Turntrans-59.2-44.4178.6-178.8179.2165.900111.4C13 S48 V50 E83 Q87 Q88 T97C13-E85 PolarHBondContact SG-OE2 3.31Å; C13-E85 VanDerWaalsContact SG-OE2 3.42Å; S48-E85 WeakPolarHBondContact CB-OE2 3.01Å; S48-E85 WeakPolarHBondContact OG-CB 3.48Å; S48-E85 PolarHBondContact OG-OE2 3.24Å; V50-E85 VanDerWaalsContact CA-OE1 3.31Å; V50-E85 WeakPolarHBondContact CA-OE1 3.37Å; V50-E85 WeakPolarHBondContact CG2-OE1 3.48Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.04Å; E85-Q87 VanDerWaalsContact C-N 3.28Å; E85-Q87 PolarHBondContact O-N 3.26Å; E85-Q88 WeakPolarHBondContact O-CB 3.49Å; E85-Q88 WeakPolarHBondContact O-CG 3.29Å; E85-Q88 PolarHBondContact O-N 3.15Å; E85-T97 HydrophobicContact CB-CG2 4.28Å
86S97.7Very high97.5Very high12 Ų1245 Ų458%0.08424%0.243CC..THydrogen-bonded Turntrans-69.4-25.1-177.672.30000114.2P49 I66 E83 W84 Q88P49-S86 WeakPolarHBondContact O-CB 3.4Å; P49-S86 PolarHBondContact O-N 3.32Å; I66-S86 WeakPolarHBondContact CD1-OG 3.34Å; E83-S86 PolarHBondContact O-N 3.18Å; E83-S86 PolarHBondContact O-OG 3.43Å; W84-S86 VanDerWaalsContact C-N 3.32Å; W84-S86 PolarHBondContact O-N 3Å; S86-Q88 VanDerWaalsContact C-N 3.34Å
87Q96.8Very high97.5Very high131 Ų13143.4 Ų43.461%0.61223%0.232SC*.THydrogen-bonded Turntrans-88.4-2.4179.9-68.2179400112.7E83 W84 E85E83-Q87 HydrophobicContact CB-CG 4.22Å; E83-Q87 WeakPolarHBondContact O-CG 3.37Å; E83-Q87 PolarHBondContact O-N 3.45Å; E83-Q87 PolarHBondContact OE2-NE2 3.43Å; W84-Q87 PolarHBondContact O-N 3.27Å; E85-Q87 VanDerWaalsContact C-N 3.28Å; E85-Q87 PolarHBondContact O-N 3.26Å
88Q97.1Very high97.6Very high50 Ų5036.3 Ų36.323%0.23419%0.194CC..SBendtrans-69.6142175.1-59.6-50.1-64.700111S51 W84 E85 S86 D90 T92S51-Q88 PolarHBondContact OG-O 3.3Å; W84-Q88 VanDerWaalsContact CE2-NE2 3.31Å; W84-Q88 HydrophobicContact CH2-CG 4.24Å; W84-Q88 HydrophobicContact CZ2-CG 4.27Å; W84-Q88 HydrophobicContact CZ3-CG 4.37Å; W84-Q88 WeakPolarHBondContact O-CG 3.48Å; W84-Q88 PolarHBondContact O-N 3.05Å; W84-Q88 PolarHBondContact O-NE2 3.48Å; E85-Q88 WeakPolarHBondContact O-CB 3.49Å; E85-Q88 WeakPolarHBondContact O-CG 3.29Å; E85-Q88 PolarHBondContact O-N 3.15Å; S86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-D90 WeakPolarHBondContact CB-O 3.43Å; Q88-D90 PolarHBondContact O-N 3.4Å; Q88-T92 HydrophobicContact CB-CG2 3.92Å; Q88-T92 HydrophobicContact CG-CG2 3.72Å
89P93.1Very high97.6Very high133 Ų13339.2 Ų39.286%0.86421%0.205SC*.SBendtrans-66-20.8-176.426.6-35.6000113.7
90D94.4Very high97.6Very high51 Ų5142.3 Ų42.327%0.27322%0.216SC..SBendtrans-136.9168.7174.3-167.59.8000109.3Q88 T92 R250Q88-D90 WeakPolarHBondContact CB-O 3.43Å; Q88-D90 PolarHBondContact O-N 3.4Å; D90-T92 PolarHBondContact O-N 2.69Å; D90-R250 IonicContact OD1-CZ 2.6Å; D90-R250 IonicContact OD1-NE 2.76Å; D90-R250 PolarHBondContact OD1-NE 3.25Å; D90-R250 IonicContact OD1-NH2 3.3Å; D90-R250 IonicContact OD2-CZ 3.76Å; D90-R250 IonicContact OD2-NE 3.89Å; D90-R250 PolarHBondContact OD2-NE 3.26Å; D90-R250 VanDerWaalsContact OD2-NE 3.16Å; D90-R250 IonicContact OD2-NH2 3.47Å; D90-R250 PolarHBondContact OD2-NH2 2.6Å
91W96.2Very high97.5Very high21 Ų2138.1 Ų38.18%0.0819%0.191CC..  trans-57.5137.5170.1173.670.9000111.6Y54 E93 R250 P251 K254Y54-W91 AromaticContact CD2-CD1 3.47Å; Y54-W91 VanDerWaalsContact CD2-CD1 3.47Å; Y54-W91 HydrophobicContact CD2-CG 4.13Å; Y54-W91 AromaticContact CD2-NE1 3.53Å; W91-E93 HydrophobicContact CH2-CB 4.26Å; W91-E93 HydrophobicContact CH2-CG 3.63Å; W91-E93 HydrophobicContact CZ2-CG 4.43Å; W91-E93 HydrophobicContact CZ3-CG 3.82Å; W91-R250 HydrophobicContact CB-CB 3.9Å; W91-R250 HydrophobicContact CB-CG 3.53Å; W91-R250 HydrophobicContact CD2-CB 4.47Å; W91-R250 HydrophobicContact CD2-CG 4.43Å; W91-R250 HydrophobicContact CE3-CG 4.19Å; W91-R250 HydrophobicContact CG-CB 4.23Å; W91-R250 HydrophobicContact CG-CG 4.21Å; W91-P251 HydrophobicContact CD2-CG 4.18Å; W91-P251 HydrophobicContact CE3-CB 4.41Å; W91-P251 HydrophobicContact CE3-CG 4.31Å; W91-P251 HydrophobicContact CH2-CB 3.45Å; W91-P251 VanDerWaalsContact CH2-CB 3.45Å; W91-P251 HydrophobicContact CH2-CG 3.67Å; W91-P251 HydrophobicContact CZ2-CB 3.87Å; W91-P251 HydrophobicContact CZ2-CG 3.54Å; W91-P251 HydrophobicContact CZ3-CB 3.77Å; W91-P251 HydrophobicContact CZ3-CG 4.07Å; W91-K254 HydrophobicContact CE3-CD 4.19Å; W91-K254 HydrophobicContact CZ3-CD 4.08Å
92T96.1Very high97.5Very high17 Ų1739.2 Ų39.210%0.10419%0.194CC..  trans-110.6139.5176.544.60000111.3Q88 D90Q88-T92 HydrophobicContact CB-CG2 3.92Å; Q88-T92 HydrophobicContact CG-CG2 3.72Å; D90-T92 PolarHBondContact O-N 2.69Å
93E97.4Very high97.5Very high19 Ų1940.1 Ų40.19%0.08921%0.208CC..  trans-62.5139.7171.8-63.684.1170.200110.1W91 V95 V96 T97 K254W91-E93 HydrophobicContact CH2-CB 4.26Å; W91-E93 HydrophobicContact CH2-CG 3.63Å; W91-E93 HydrophobicContact CZ2-CG 4.43Å; W91-E93 HydrophobicContact CZ3-CG 3.82Å; E93-V95 HydrophobicContact CB-CG1 4.27Å; E93-V95 PolarHBondContact O-N 2.9Å; E93-V95 VanDerWaalsContact O-N 3.1Å; E93-V96 HydrophobicContact CB-CG2 4.13Å; E93-V96 WeakPolarHBondContact O-CA 3.2Å; E93-V96 WeakPolarHBondContact O-CB 3.29Å; E93-V96 PolarHBondContact O-N 2.84Å; E93-T97 PolarHBondContact O-N 3.27Å; E93-K254 WeakPolarHBondContact OE1-CD 3.44Å; E93-K254 WeakPolarHBondContact OE1-CE 3.33Å; E93-K254 IonicContact OE1-NZ 2.69Å; E93-K254 PolarHBondContact OE1-NZ 3.08Å; E93-K254 IonicContact OE2-NZ 3.52Å; E93-K254 PolarHBondContact OE2-NZ 3.33Å
94T98.1Very high97.4Very high12 Ų1241.4 Ų41.47%0.07421%0.211CC..Hα-helixtrans-53.5-38-179.2-57.50000112.5C13 V96 T97 M98 L135 F141 L159C13-T94 HydrophobicContact CB-CG2 4.29Å; T94-V96 VanDerWaalsContact C-N 3.26Å; T94-V96 PolarHBondContact O-N 3.04Å; T94-T97 WeakPolarHBondContact O-CB 3.38Å; T94-T97 PolarHBondContact O-N 3.41Å; T94-M98 HydrophobicContact CG2-CG 4.33Å; T94-M98 VanDerWaalsContact O-CG 3.25Å; T94-M98 WeakPolarHBondContact O-CG 3.31Å; T94-M98 PolarHBondContact O-N 3.42Å; T94-L135 HydrophobicContact CG2-CD1 3.79Å; T94-L135 HydrophobicContact CG2-CD2 3.96Å; T94-F141 HydrophobicContact CG2-CZ 4.42Å; T94-L159 HydrophobicContact CG2-CD1 4.28Å
95V97.9Very high97.3Very high2 Ų240 Ų401%0.01221%0.207CC..Hα-helixtrans-62.3-32177.374.30000112.7E93 M98 R99 H155 E158 F163E93-V95 HydrophobicContact CB-CG1 4.27Å; E93-V95 PolarHBondContact O-N 2.9Å; E93-V95 VanDerWaalsContact O-N 3.1Å; V95-M98 PolarHBondContact O-N 2.95Å; V95-R99 VanDerWaalsContact O-CG 3.27Å; V95-R99 WeakPolarHBondContact O-CG 3.48Å; V95-R99 PolarHBondContact O-N 3.38Å; V95-H155 HydrophobicContact CB-CB 4.38Å; V95-H155 HydrophobicContact CG1-CB 3.88Å; V95-E158 HydrophobicContact CG2-CB 4.06Å; V95-E158 HydrophobicContact CG2-CG 3.82Å; V95-F163 HydrophobicContact CG2-CE2 4.08Å
96V98.2Very high97Very high44 Ų4442.5 Ų42.527%0.26722%0.22SC..Hα-helixtrans-69.8-44.1176.7179.30000110W84 E93 T94 M98 R99 Y100W84-V96 HydrophobicContact CH2-CG1 4.16Å; E93-V96 HydrophobicContact CB-CG2 4.13Å; E93-V96 WeakPolarHBondContact O-CA 3.2Å; E93-V96 WeakPolarHBondContact O-CB 3.29Å; E93-V96 PolarHBondContact O-N 2.84Å; T94-V96 VanDerWaalsContact C-N 3.26Å; T94-V96 PolarHBondContact O-N 3.04Å; V96-M98 VanDerWaalsContact C-N 3.32Å; V96-M98 PolarHBondContact O-N 3.27Å; V96-R99 PolarHBondContact O-N 2.98Å; V96-Y100 PolarHBondContact O-N 3.1Å
97T98.4Very high96.8Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-58.2-44.2171.8-55.30000111.3L11 W84 E85 E93 T94 R99 Y100 H101L11-T97 HydrophobicContact CD2-CG2 4.1Å; W84-T97 HydrophobicContact CE3-CG2 4.44Å; W84-T97 HydrophobicContact CZ3-CG2 4.36Å; E85-T97 HydrophobicContact CB-CG2 4.28Å; E93-T97 PolarHBondContact O-N 3.27Å; T94-T97 WeakPolarHBondContact O-CB 3.38Å; T94-T97 PolarHBondContact O-N 3.41Å; T97-R99 PolarHBondContact O-N 3.46Å; T97-Y100 PolarHBondContact O-N 3.01Å; T97-H101 PolarHBondContact O-CD2 3.46Å; T97-H101 PolarHBondContact O-N 3.29Å
98M98.6Very high96.6Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-60.2-45.8175.9-66.1-67.4-67.200112.2L11 T94 V95 V96 Y100 H101 H102 L133 L135 L159 F163L11-M98 HydrophobicContact CB-SD 4.17Å; L11-M98 HydrophobicContact CD2-CG 4.35Å; L11-M98 HydrophobicContact CD2-SD 3.31Å; L11-M98 WeakPolarHBondContact CD2-SD 3.45Å; L11-M98 HydrophobicContact CG-SD 4.14Å; T94-M98 HydrophobicContact CG2-CG 4.33Å; T94-M98 VanDerWaalsContact O-CG 3.25Å; T94-M98 WeakPolarHBondContact O-CG 3.31Å; T94-M98 PolarHBondContact O-N 3.42Å; V95-M98 PolarHBondContact O-N 2.95Å; V96-M98 VanDerWaalsContact C-N 3.32Å; V96-M98 PolarHBondContact O-N 3.27Å; M98-Y100 PolarHBondContact O-N 3.46Å; M98-H101 PolarHBondContact O-N 3.43Å; M98-H102 VanDerWaalsContact O-CB 3.22Å; M98-H102 WeakPolarHBondContact O-CB 3.12Å; M98-H102 PolarHBondContact O-N 3.37Å; M98-L133 HydrophobicContact CE-CD2 3.94Å; M98-L133 HydrophobicContact CE-CG 3.79Å; M98-L133 VanDerWaalsContact O-CD2 3.3Å; M98-L133 WeakPolarHBondContact O-CD2 3.18Å; M98-L133 HydrophobicContact SD-CD2 4.28Å; M98-L135 HydrophobicContact CE-CB 3.93Å; M98-L135 HydrophobicContact SD-CB 3.96Å; M98-L135 HydrophobicContact SD-CD1 3.81Å; M98-L135 HydrophobicContact SD-CG 4.49Å; M98-L159 HydrophobicContact CG-CD1 3.73Å; M98-F163 HydrophobicContact CB-CD1 4.23Å; M98-F163 HydrophobicContact CB-CD2 3.85Å; M98-F163 HydrophobicContact CB-CE1 4.09Å; M98-F163 HydrophobicContact CB-CE2 3.69Å; M98-F163 HydrophobicContact CB-CG 4.12Å; M98-F163 HydrophobicContact CB-CZ 3.81Å; M98-F163 HydrophobicContact CE-CB 3.44Å; M98-F163 VanDerWaalsContact CE-CB 3.44Å; M98-F163 HydrophobicContact CE-CD1 3.99Å; M98-F163 HydrophobicContact CE-CD2 4.29Å; M98-F163 HydrophobicContact CE-CG 3.65Å; M98-F163 HydrophobicContact CG-CD2 4.44Å
99R98.6Very high96.1Very high87 Ų8746.7 Ų46.733%0.32824%0.235SC..Hα-helixtrans-60-43.7176.4-71.2172.4-165.6148.6-0.3111.7V95 V96 T97 H102 G103 E158 F163V95-R99 VanDerWaalsContact O-CG 3.27Å; V95-R99 WeakPolarHBondContact O-CG 3.48Å; V95-R99 PolarHBondContact O-N 3.38Å; V96-R99 PolarHBondContact O-N 2.98Å; T97-R99 PolarHBondContact O-N 3.46Å; R99-H102 PolarHBondContact O-N 3.14Å; R99-G103 PolarHBondContact O-N 3.46Å; R99-E158 IonicContact CZ-OE1 2.83Å; R99-E158 IonicContact CZ-OE2 3.26Å; R99-E158 VanDerWaalsContact CZ-OE2 3.3Å; R99-E158 IonicContact NE-OE1 3.89Å; R99-E158 PolarHBondContact NE-OE1 2.86Å; R99-E158 IonicContact NE-OE2 3.76Å; R99-E158 PolarHBondContact NE-OE2 2.83Å; R99-E158 IonicContact NH2-OE1 3.97Å; R99-E158 IonicContact NH2-OE2 3.7Å; R99-E158 PolarHBondContact NH2-OE2 2.9Å; R99-F163 HydrophobicContact CB-CZ 4.46Å; R99-F163 HydrophobicContact CG-CE2 4.35Å; R99-F163 HydrophobicContact CG-CZ 3.85Å
100Y98.6Very high95.9Very high71 Ų7145.6 Ų45.628%0.27822%0.218SC..Hα-helixtrans-59.7-52.9178.2169.4-99.2000111.9W84 V96 T97 M98 H102 G103 R104W84-Y100 HydrophobicContact CB-CD1 4.16Å; W84-Y100 HydrophobicContact CB-CE1 3.43Å; W84-Y100 VanDerWaalsContact CB-CE1 3.43Å; W84-Y100 AromaticContact CD1-CE1 3.65Å; W84-Y100 AromaticContact CD1-CE2 3.45Å; W84-Y100 VanDerWaalsContact CD1-CE2 3.45Å; W84-Y100 AromaticContact CD1-CZ 3.18Å; W84-Y100 AromaticContact CD2-CD1 3.42Å; W84-Y100 HydrophobicContact CD2-CD1 3.42Å; W84-Y100 VanDerWaalsContact CD2-CD1 3.42Å; W84-Y100 AromaticContact CD2-CD2 3.94Å; W84-Y100 HydrophobicContact CD2-CD2 3.94Å; W84-Y100 AromaticContact CD2-CE1 3.52Å; W84-Y100 HydrophobicContact CD2-CE1 3.52Å; W84-Y100 HydrophobicContact CD2-CE2 4.04Å; W84-Y100 AromaticContact CD2-CG 3.64Å; W84-Y100 HydrophobicContact CD2-CG 3.64Å; W84-Y100 AromaticContact CD2-CZ 3.82Å; W84-Y100 AromaticContact CE2-CD1 3.94Å; W84-Y100 AromaticContact CE2-CD2 3.55Å; W84-Y100 AromaticContact CE2-CE2 3.75Å; W84-Y100 AromaticContact CE2-CG 3.64Å; W84-Y100 AromaticContact CE3-CD1 3.61Å; W84-Y100 HydrophobicContact CE3-CD1 3.61Å; W84-Y100 HydrophobicContact CE3-CE1 4.09Å; W84-Y100 AromaticContact CE3-CG 3.89Å; W84-Y100 HydrophobicContact CE3-CG 3.89Å; W84-Y100 AromaticContact CG-CD1 3.68Å; W84-Y100 HydrophobicContact CG-CD1 3.68Å; W84-Y100 HydrophobicContact CG-CD2 4.27Å; W84-Y100 AromaticContact CG-CE1 3.19Å; W84-Y100 HydrophobicContact CG-CE1 3.19Å; W84-Y100 AromaticContact CG-CE2 3.86Å; W84-Y100 HydrophobicContact CG-CE2 3.86Å; W84-Y100 HydrophobicContact CG-CG 4.18Å; W84-Y100 AromaticContact CG-CZ 3.29Å; W84-Y100 HydrophobicContact CH2-CG 4.21Å; W84-Y100 AromaticContact CZ2-CD2 3.93Å; W84-Y100 HydrophobicContact CZ2-CD2 3.93Å; W84-Y100 AromaticContact CZ2-CG 3.94Å; W84-Y100 HydrophobicContact CZ2-CG 3.94Å; W84-Y100 HydrophobicContact CZ3-CD1 4.29Å; W84-Y100 HydrophobicContact CZ3-CG 4.19Å; W84-Y100 AromaticContact NE1-CD2 3.62Å; W84-Y100 AromaticContact NE1-CE2 3.33Å; W84-Y100 VanDerWaalsContact NE1-CE2 3.33Å; W84-Y100 AromaticContact NE1-CZ 3.6Å; V96-Y100 PolarHBondContact O-N 3.1Å; T97-Y100 PolarHBondContact O-N 3.01Å; M98-Y100 PolarHBondContact O-N 3.46Å; Y100-H102 PolarHBondContact O-N 3.32Å; Y100-G103 PolarHBondContact O-N 2.91Å; Y100-R104 VanDerWaalsContact CE1-NH1 3.28Å; Y100-R104 PolarHBondContact O-N 3.22Å; Y100-R104 WeakPolarHBondContact OH-CD 3.5Å; Y100-R104 PolarHBondContact OH-NH1 3.46Å
101H98.5Very high95.6Very high1 Ų147.8 Ų47.81%0.00523%0.226CC..Hα-helixtrans-65.4-39.6-179.9-76.6-71.5000112.4L11 D82 T97 M98 G103 R104 I105 L133L11-H101 HydrophobicContact CD2-CB 4.39Å; D82-H101 VanDerWaalsContact CG-CE1 3.41Å; D82-H101 IonicContact OD1-CE1 3.16Å; D82-H101 IonicContact OD2-CE1 3.59Å; T97-H101 PolarHBondContact O-CD2 3.46Å; T97-H101 PolarHBondContact O-N 3.29Å; M98-H101 PolarHBondContact O-N 3.43Å; H101-G103 VanDerWaalsContact C-N 3.33Å; H101-G103 PolarHBondContact O-N 3.01Å; H101-R104 PolarHBondContact O-N 3.3Å; H101-I105 WeakPolarHBondContact O-CB 3.49Å; H101-I105 WeakPolarHBondContact O-CD1 3.33Å; H101-I105 VanDerWaalsContact O-CG1 3.22Å; H101-I105 WeakPolarHBondContact O-CG1 3.37Å; H101-I105 PolarHBondContact O-N 3.4Å; H101-L133 HydrophobicContact CB-CD2 3.79Å
102H98Very high94.9Very high48 Ų4849.7 Ų49.722%0.22224%0.243CC..Hα-helixtrans-60.6-43176.3-177.7-84.5000111.8M98 R99 Y100 I105 L106 L133 F163M98-H102 VanDerWaalsContact O-CB 3.22Å; M98-H102 WeakPolarHBondContact O-CB 3.12Å; M98-H102 PolarHBondContact O-N 3.37Å; R99-H102 PolarHBondContact O-N 3.14Å; Y100-H102 PolarHBondContact O-N 3.32Å; H102-I105 PolarHBondContact O-N 2.83Å; H102-L106 WeakPolarHBondContact O-CB 3.26Å; H102-L106 PolarHBondContact O-N 2.92Å; H102-L133 HydrophobicContact CB-CD2 3.94Å; H102-F163 HydrophobicContact CB-CD1 4.42Å; H102-F163 HydrophobicContact CB-CE1 3.66Å; H102-F163 AromaticContact CD2-CE1 3.98Å; H102-F163 AromaticContact CG-CE1 3.85Å
103G97.5Very high94Very high39 Ų3951.2 Ų51.240%0.40226%0.258SS..Hα-helixtrans-62.6-41.6175.300000113R99 Y100 H101 K107R99-G103 PolarHBondContact O-N 3.46Å; Y100-G103 PolarHBondContact O-N 2.91Å; H101-G103 VanDerWaalsContact C-N 3.33Å; H101-G103 PolarHBondContact O-N 3.01Å; G103-K107 WeakPolarHBondContact O-CB 3.27Å; G103-K107 PolarHBondContact O-N 3.46Å; G103-K107 VanDerWaalsContact O-N 3.08Å
104R97.2Very high92.3Very high78 Ų7852.6 Ų52.629%0.29428%0.277SS..Hα-helixtrans-62.4-49.6174.6-91.717656.8-167.9-10.4112.6D82 Y100 H101 L106 K107 E108D82-R104 IonicContact OD1-NH1 2.59Å; D82-R104 PolarHBondContact OD1-NH1 3.47Å; D82-R104 IonicContact OD2-CZ 2.83Å; D82-R104 IonicContact OD2-NH1 2.91Å; D82-R104 PolarHBondContact OD2-NH1 3.22Å; D82-R104 IonicContact OD2-NH2 3.86Å; D82-R104 PolarHBondContact OD2-NH2 2.92Å; Y100-R104 VanDerWaalsContact CE1-NH1 3.28Å; Y100-R104 PolarHBondContact O-N 3.22Å; Y100-R104 WeakPolarHBondContact OH-CD 3.5Å; Y100-R104 PolarHBondContact OH-NH1 3.46Å; H101-R104 PolarHBondContact O-N 3.3Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 3.03Å; R104-K107 PolarHBondContact O-N 2.87Å; R104-E108 IonicContact NE-OE1 2.9Å; R104-E108 WeakPolarHBondContact O-CG 3.39Å; R104-E108 PolarHBondContact O-N 3.12Å
105I95.6Very high90.3Very high21 Ų2161.8 Ų61.811%0.10831%0.31CS..Hα-helixtrans-59.9-43.8-179.8-69.5160.7000110.7V9 H101 H102 E108 Y109 P131 L133V9-I105 HydrophobicContact CB-CD1 3.81Å; V9-I105 HydrophobicContact CG1-CD1 3.87Å; V9-I105 HydrophobicContact CG2-CD1 3.89Å; V9-I105 HydrophobicContact CG2-CG1 4.37Å; V9-I105 HydrophobicContact CG2-CG2 4.41Å; H101-I105 WeakPolarHBondContact O-CB 3.49Å; H101-I105 WeakPolarHBondContact O-CD1 3.33Å; H101-I105 VanDerWaalsContact O-CG1 3.22Å; H101-I105 WeakPolarHBondContact O-CG1 3.37Å; H101-I105 PolarHBondContact O-N 3.4Å; H102-I105 PolarHBondContact O-N 2.83Å; I105-E108 PolarHBondContact O-N 3.08Å; I105-Y109 WeakPolarHBondContact O-CB 3.48Å; I105-Y109 PolarHBondContact O-N 2.79Å; I105-P131 HydrophobicContact CG2-CB 3.79Å; I105-P131 HydrophobicContact CG2-CG 3.66Å; I105-L133 HydrophobicContact CD1-CB 4.43Å; I105-L133 HydrophobicContact CD1-CD1 3.8Å; I105-L133 HydrophobicContact CD1-CD2 4.45Å; I105-L133 HydrophobicContact CD1-CG 4.46Å
106L93.3Very high88.1Confident55 Ų5570 Ų7029%0.28835%0.348SS..Hα-helixtrans-62.9-45178-177.460.3000111.5H102 R104 E108 Y109 E110 F130H102-L106 WeakPolarHBondContact O-CB 3.26Å; H102-L106 PolarHBondContact O-N 2.92Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 3.03Å; L106-E108 PolarHBondContact O-N 2.8Å; L106-Y109 PolarHBondContact O-N 2.87Å; L106-E110 HydrophobicContact CD1-CG 4.42Å; L106-E110 WeakPolarHBondContact O-CG 3.41Å; L106-E110 PolarHBondContact O-N 3.22Å; L106-F130 HydrophobicContact CD1-CD1 3.61Å; L106-F130 HydrophobicContact CD1-CE1 3.9Å
107K93.2Very high85.9Confident130 Ų13072.1 Ų72.157%0.56537%0.365SS*.Hα-helixtrans-62.7-42.9178.2-174.2-179.8-178.7-178.30112.3G103 R104 Y109 Q111G103-K107 WeakPolarHBondContact O-CB 3.27Å; G103-K107 PolarHBondContact O-N 3.46Å; G103-K107 VanDerWaalsContact O-N 3.08Å; R104-K107 PolarHBondContact O-N 2.87Å; K107-Y109 VanDerWaalsContact C-N 3.35Å; K107-Q111 WeakPolarHBondContact O-CB 3.5Å; K107-Q111 WeakPolarHBondContact O-CG 3.5Å; K107-Q111 PolarHBondContact O-N 2.99Å; K107-Q111 VanDerWaalsContact O-N 3.07Å
108E91.9Very high83.4Confident106 Ų10679.3 Ų79.350%0.49540%0.403SS..Hα-helixtrans-63.7-41.7176.5-72.9167.2-161.800111.2R104 I105 L106 Q111 S112R104-E108 IonicContact NE-OE1 2.9Å; R104-E108 WeakPolarHBondContact O-CG 3.39Å; R104-E108 PolarHBondContact O-N 3.12Å; I105-E108 PolarHBondContact O-N 3.08Å; L106-E108 PolarHBondContact O-N 2.8Å; E108-Q111 PolarHBondContact O-N 3.16Å; E108-S112 WeakPolarHBondContact O-CB 3.31Å; E108-S112 PolarHBondContact O-N 3.07Å; E108-S112 PolarHBondContact O-OG 2.83Å
109Y88.2Confident81Confident46 Ų4684.5 Ų84.518%0.1845%0.446CS..Hα-helixtrans-62.3-50.1175.9-177.7-101.8000112.2I105 L106 K107 Q111 S112 A113 S128 F130 P131I105-Y109 WeakPolarHBondContact O-CB 3.48Å; I105-Y109 PolarHBondContact O-N 2.79Å; L106-Y109 PolarHBondContact O-N 2.87Å; K107-Y109 VanDerWaalsContact C-N 3.35Å; Y109-Q111 VanDerWaalsContact C-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.22Å; Y109-S112 PolarHBondContact O-N 2.99Å; Y109-S112 VanDerWaalsContact O-N 3.12Å; Y109-S112 PolarHBondContact O-OG 2.7Å; Y109-A113 WeakPolarHBondContact O-CB 3.47Å; Y109-A113 PolarHBondContact O-N 2.91Å; Y109-S128 WeakPolarHBondContact OH-CB 3.43Å; Y109-S128 PolarHBondContact OH-O 3.36Å; Y109-F130 AromaticContact CD1-CD1 3.97Å; Y109-F130 HydrophobicContact CD1-CD1 3.97Å; Y109-F130 HydrophobicContact CD1-CE1 4.27Å; Y109-F130 AromaticContact CE1-CD1 3.87Å; Y109-F130 HydrophobicContact CE1-CD1 3.87Å; Y109-F130 HydrophobicContact CE1-CE1 4.14Å; Y109-P131 HydrophobicContact CD1-CG 4.42Å; Y109-P131 HydrophobicContact CD2-CG 4.05Å; Y109-P131 HydrophobicContact CG-CG 3.86Å
110E87.6Confident78.6Confident109 Ų10985.6 Ų85.651%0.50947%0.467SS..Hα-helixtrans-58.1-41.1177.4-72.9171.2173.800112.1L106 A113 G114L106-E110 HydrophobicContact CD1-CG 4.42Å; L106-E110 WeakPolarHBondContact O-CG 3.41Å; L106-E110 PolarHBondContact O-N 3.22Å; E110-A113 PolarHBondContact O-N 3.02Å; E110-G114 PolarHBondContact O-N 3.42Å
111Q88Confident76Confident97 Ų9789.9 Ų89.945%0.45349%0.49SS..Hα-helixtrans-66.5-38176.3-72.7174.95.300112.8K107 E108 Y109 R115K107-Q111 WeakPolarHBondContact O-CB 3.5Å; K107-Q111 WeakPolarHBondContact O-CG 3.5Å; K107-Q111 PolarHBondContact O-N 2.99Å; K107-Q111 VanDerWaalsContact O-N 3.07Å; E108-Q111 PolarHBondContact O-N 3.16Å; Y109-Q111 VanDerWaalsContact C-N 3.3Å; Y109-Q111 PolarHBondContact O-N 3.22Å; Q111-R115 WeakPolarHBondContact O-CG 3.25Å; Q111-R115 PolarHBondContact O-N 3.36Å
112S82.9Confident73.6Confident61 Ų6199.4 Ų99.443%0.42753%0.531SS..Hα-helixtrans-69.6-39.4176.6720000112.1E108 Y109 R115E108-S112 WeakPolarHBondContact O-CB 3.31Å; E108-S112 PolarHBondContact O-N 3.07Å; E108-S112 PolarHBondContact O-OG 2.83Å; Y109-S112 PolarHBondContact O-N 2.99Å; Y109-S112 VanDerWaalsContact O-N 3.12Å; Y109-S112 PolarHBondContact O-OG 2.7Å; S112-R115 PolarHBondContact O-N 2.88Å
113A75.6Confident71.2Confident50 Ų50107 Ų10741%0.41356%0.564SS.*Hα-helixtrans-68.5-39.4176.900000112Y109 E110 R115 H116Y109-A113 WeakPolarHBondContact O-CB 3.47Å; Y109-A113 PolarHBondContact O-N 2.91Å; E110-A113 PolarHBondContact O-N 3.02Å; A113-R115 VanDerWaalsContact C-N 3.31Å; A113-R115 PolarHBondContact O-N 3.21Å; A113-H116 PolarHBondContact O-N 2.63Å
114G61.7Low68.7Low48 Ų48108.8 Ų108.850%0.49557%0.574SS.*Hα-helixtrans-71.7-16.3178.800000115.3E110 S117E110-G114 PolarHBondContact O-N 3.42Å; G114-S117 PolarHBondContact O-OG 3.04Å
115R56.5Low66.5Low205 Ų205110 Ų11077%0.77460%0.595SS**THydrogen-bonded Turntrans-80.7-14.4174-74.3176.3-165.3-177.56.1113.6Q111 S112 A113Q111-R115 WeakPolarHBondContact O-CG 3.25Å; Q111-R115 PolarHBondContact O-N 3.36Å; S112-R115 PolarHBondContact O-N 2.88Å; A113-R115 VanDerWaalsContact C-N 3.31Å; A113-R115 PolarHBondContact O-N 3.21Å
116H52.9Low64.5Low175 Ų175113.1 Ų113.181%0.8162%0.616SS**SBendtrans-98.9-4.3179.3-80.1-69.4000113.9A113 D118A113-H116 PolarHBondContact O-N 2.63Å; H116-D118 PolarHBondContact O-N 3.31Å
117S50.7Low63Low87 Ų87115.9 Ų115.961%0.60864%0.64SS**  trans-92.384.1173.9660000110.6G114G114-S117 PolarHBondContact O-OG 3.04Å
118D45.8Very low61.8Low151 Ų151112.3 Ų112.381%0.80763%0.632SS**  trans-60.5145.9156.6-108.2-25.6000109.1H116 S120H116-D118 PolarHBondContact O-N 3.31Å; D118-S120 VanDerWaalsContact C-N 3.26Å; D118-S120 PolarHBondContact O-N 3.26Å
119A48.6Very low61.3Low110 Ų110109.1 Ų109.191%0.90962%0.621SS**THydrogen-bonded Turntrans-71.444.6-155.100000117.4
120S47.9Very low61.3Low109 Ų109112.2 Ų112.276%0.76264%0.635SS**THydrogen-bonded Turntrans-128.6-2-179.4660000118.3D118D118-S120 VanDerWaalsContact C-N 3.26Å; D118-S120 PolarHBondContact O-N 3.26Å
121E45.3Very low61.6Low162 Ų162107.8 Ų107.876%0.75762%0.616SS**  trans-130.787.7177.8-71.6-169.8168.600113.3F123E121-F123 PolarHBondContact O-N 3.25Å
122K47.4Very low62Low200 Ų200106.4 Ų106.487%0.8761%0.609SS**THydrogen-bonded Turntrans-78.416.8177.7-86.8-174.2176.5178.90115.5
123F46.7Very low62.8Low209 Ų209103.7 Ų103.792%0.91759%0.59SS**THydrogen-bonded Turntrans-144.322-175.9-84.6-77.8000116.3E121E121-F123 PolarHBondContact O-N 3.25Å
124A45.4Very low63.9Low75 Ų75101.3 Ų101.362%0.6257%0.57SS**  trans-92.7108.6167.500000109.7
125S52Low65.6Low105 Ų10599 Ų9973%0.73455%0.547SS*.  trans-52.2143.1162.2-540000108.9S127S125-S127 PolarHBondContact O-N 3.07Å
126P52.8Low67.6Low85 Ų8589.4 Ų89.455%0.55251%0.511SS*.  trans-58109.5177.523-30.6000108.1S128 F130P126-S128 PolarHBondContact O-N 2.95Å; P126-F130 HydrophobicContact CG-CE2 4.35Å; P126-F130 HydrophobicContact CG-CZ 4.37Å
127S61.5Low69.7Low113 Ų11381.4 Ų81.479%0.7947%0.474SS*.SBendtrans-70.3-12.7-177.656.70000112.2S125S125-S127 PolarHBondContact O-N 3.07Å
128S67.4Low71.6Confident56 Ų5677.5 Ų77.539%0.39245%0.448SS..SBendtrans-101.2133.3179.1-61.50000110.9Y109 P126Y109-S128 WeakPolarHBondContact OH-CB 3.43Å; Y109-S128 PolarHBondContact OH-O 3.36Å; P126-S128 PolarHBondContact O-N 2.95Å
129P81.7Confident73.6Confident39 Ų3970.3 Ų70.325%0.25341%0.41SS..PPolyproline II helixtrans-63.8143.7-179.926.7-33000110.9C4 R5 V6 P7C4-P129 WeakPolarHBondContact SG-CD 3.41Å; R5-P129 WeakPolarHBondContact O-CG 3.35Å; V6-P129 HydrophobicContact CB-CG 4.49Å; V6-P129 HydrophobicContact CG2-CB 4.1Å; V6-P129 HydrophobicContact CG2-CG 4.2Å; P7-P129 WeakPolarHBondContact CD-O 3.34Å
130F88.6Confident75.4Confident110 Ų11068.8 Ų68.848%0.48239%0.386SS..PPolyproline II helixtrans-60.1143.6175-75.2-86.6000111.5L106 Y109 P126L106-F130 HydrophobicContact CD1-CD1 3.61Å; L106-F130 HydrophobicContact CD1-CE1 3.9Å; Y109-F130 AromaticContact CD1-CD1 3.97Å; Y109-F130 HydrophobicContact CD1-CD1 3.97Å; Y109-F130 HydrophobicContact CD1-CE1 4.27Å; Y109-F130 AromaticContact CE1-CD1 3.87Å; Y109-F130 HydrophobicContact CE1-CD1 3.87Å; Y109-F130 HydrophobicContact CE1-CE1 4.14Å; P126-F130 HydrophobicContact CG-CE2 4.35Å; P126-F130 HydrophobicContact CG-CZ 4.37Å
131P93.6Very high77.3Confident16 Ų1665.6 Ų65.610%0.10436%0.358CS..PPolyproline II helixtrans-63.2138176.926.7-34.7000111.1P7 I105 Y109P7-P131 HydrophobicContact CB-CB 4.11Å; P7-P131 CarbonylContact O-C 3.58Å; P7-P131 VanDerWaalsContact O-CA 3.31Å; P7-P131 WeakPolarHBondContact O-CA 3.47Å; I105-P131 HydrophobicContact CG2-CB 3.79Å; I105-P131 HydrophobicContact CG2-CG 3.66Å; Y109-P131 HydrophobicContact CD1-CG 4.42Å; Y109-P131 HydrophobicContact CD2-CG 4.05Å; Y109-P131 HydrophobicContact CG-CG 3.86Å
132Q97.1Very high79.3Confident69 Ų6958 Ų5832%0.32232%0.323SS..EExtended strand (participates in β ladder)trans-99.5154.1171.8-70.9-170.419.300111.3V6 P7 L8 V9V6-Q132 HydrophobicContact CG1-CB 4.28Å; V6-Q132 HydrophobicContact CG1-CG 3.74Å; P7-Q132 PolarHBondContact O-N 3.07Å; L8-Q132 WeakPolarHBondContact CA-O 3.35Å; L8-Q132 HydrophobicContact CD1-CB 4.05Å; V9-Q132 PolarHBondContact N-O 3.02Å
133L98.6Very high81.2Confident3 Ų350.7 Ų50.72%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-117.8128.9170.6-178.865.7000108.9V9 L11 M98 H101 H102 I105 F163V9-L133 HydrophobicContact CB-CD1 3.94Å; V9-L133 HydrophobicContact CG1-CD1 3.88Å; V9-L133 WeakPolarHBondContact O-CA 3.47Å; L11-L133 HydrophobicContact CB-CD1 3.88Å; M98-L133 HydrophobicContact CE-CD2 3.94Å; M98-L133 HydrophobicContact CE-CG 3.79Å; M98-L133 VanDerWaalsContact O-CD2 3.3Å; M98-L133 WeakPolarHBondContact O-CD2 3.18Å; M98-L133 HydrophobicContact SD-CD2 4.28Å; H101-L133 HydrophobicContact CB-CD2 3.79Å; H102-L133 HydrophobicContact CB-CD2 3.94Å; I105-L133 HydrophobicContact CD1-CB 4.43Å; I105-L133 HydrophobicContact CD1-CD1 3.8Å; I105-L133 HydrophobicContact CD1-CD2 4.45Å; I105-L133 HydrophobicContact CD1-CG 4.46Å; L133-F163 HydrophobicContact CB-CD1 4.48Å; L133-F163 HydrophobicContact CD2-CD1 4.46Å; L133-F163 CarbonylContact O-C 3.47Å; L133-F163 WeakPolarHBondContact O-CA 3.48Å; L133-F163 WeakPolarHBondContact O-CB 3.43Å
134K98.8Very high83.4Confident0 Ų041.6 Ų41.60%026%0.259CS..EExtended strand (participates in β ladder)trans-124.4144.3173.2-68.6-174.3-168.1-50.50111.2L8 V9 L10 L11 M34 L136 F163 V166 N191 F193L8-K134 HydrophobicContact CD1-CB 4.05Å; L8-K134 HydrophobicContact CD1-CD 3.96Å; L8-K134 HydrophobicContact CD1-CG 3.71Å; L8-K134 HydrophobicContact CD2-CD 4.37Å; V9-K134 PolarHBondContact O-N 3.31Å; L10-K134 HydrophobicContact CD2-CB 4.34Å; L11-K134 PolarHBondContact N-O 3.33Å; M34-K134 HydrophobicContact CE-CD 4.05Å; K134-L136 PolarHBondContact O-N 2.98Å; K134-F163 WeakPolarHBondContact CG-O 3.35Å; K134-F163 PolarHBondContact NZ-O 3.32Å; K134-V166 HydrophobicContact CB-CG2 4.02Å; K134-V166 HydrophobicContact CD-CG2 3.98Å; K134-N191 PolarHBondContact NZ-OD1 2.98Å; K134-F193 HydrophobicContact CD-CD2 4.16Å; K134-F193 HydrophobicContact CD-CE2 4Å
135L98.8Very high85.6Confident1 Ų139.3 Ų39.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-78.3119.3173.2-175.475.3000109L11 C13 T94 M98 F141 L159 G164 L165 V166L11-L135 CarbonylContact O-C 3.36Å; L11-L135 WeakPolarHBondContact O-CA 3.37Å; L11-L135 WeakPolarHBondContact O-CD1 3.32Å; C13-L135 HydrophobicContact CB-CD1 4.4Å; T94-L135 HydrophobicContact CG2-CD1 3.79Å; T94-L135 HydrophobicContact CG2-CD2 3.96Å; M98-L135 HydrophobicContact CE-CB 3.93Å; M98-L135 HydrophobicContact SD-CB 3.96Å; M98-L135 HydrophobicContact SD-CD1 3.81Å; M98-L135 HydrophobicContact SD-CG 4.49Å; L135-F141 HydrophobicContact CD2-CD1 4.44Å; L135-F141 HydrophobicContact CD2-CE1 3.5Å; L135-F141 HydrophobicContact CD2-CZ 3.79Å; L135-L159 HydrophobicContact CB-CD1 4.5Å; L135-L159 HydrophobicContact CD2-CD1 4.14Å; L135-L159 HydrophobicContact CD2-CD2 3.82Å; L135-L159 HydrophobicContact CD2-CG 4.43Å; L135-G164 PolarHBondContact N-O 3.19Å; L135-L165 HydrophobicContact CB-CD2 3.85Å; L135-L165 HydrophobicContact CD2-CD2 3.93Å; L135-L165 HydrophobicContact CG-CD2 4.4Å; L135-L165 CarbonylContact O-C 3.46Å; L135-L165 WeakPolarHBondContact O-CA 3.43Å; L135-V166 PolarHBondContact O-N 3.08Å
136L98.6Very high87.3Confident3 Ų339.2 Ų39.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-88.1124.9170.7173.459.2000109.4L10 L11 A12 L26 F27 A30 K134 V166 V168L10-L136 HydrophobicContact CB-CB 4.37Å; L11-L136 PolarHBondContact O-N 3.25Å; A12-L136 HydrophobicContact CB-CB 4.32Å; A12-L136 HydrophobicContact CB-CD2 4.45Å; A12-L136 HydrophobicContact CB-CG 4.46Å; L26-L136 HydrophobicContact CB-CD1 4.4Å; L26-L136 HydrophobicContact CB-CD2 4.26Å; L26-L136 HydrophobicContact CB-CG 4.46Å; F27-L136 HydrophobicContact CB-CD2 4.25Å; F27-L136 HydrophobicContact CD1-CD2 3.54Å; F27-L136 HydrophobicContact CD2-CD2 3.83Å; F27-L136 HydrophobicContact CE1-CD2 3.72Å; F27-L136 HydrophobicContact CE2-CD2 3.99Å; F27-L136 HydrophobicContact CG-CD2 3.6Å; F27-L136 HydrophobicContact CZ-CD2 3.95Å; A30-L136 HydrophobicContact CB-CD1 3.53Å; A30-L136 HydrophobicContact CB-CD2 4.33Å; K134-L136 PolarHBondContact O-N 2.98Å; L136-V166 WeakPolarHBondContact CA-O 3.33Å; L136-V166 HydrophobicContact CD1-CB 4.37Å; L136-V166 HydrophobicContact CD1-CG1 4.4Å; L136-V166 WeakPolarHBondContact CD1-O 3.45Å; L136-V168 HydrophobicContact CD1-CG2 4.02Å
137C95.7Very high89.2Confident7 Ų739.2 Ų39.25%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-149164.4-179.569.50000113F141 V166 C167 V168C137-F141 HydrophobicContact CB-CB 3.8Å; C137-F141 HydrophobicContact CB-CD1 3.63Å; C137-F141 HydrophobicContact CB-CE1 4.3Å; C137-F141 HydrophobicContact CB-CG 3.75Å; C137-V166 PolarHBondContact N-O 3.16Å; C137-C167 CarbonylContact O-C 3.58Å; C137-C167 WeakPolarHBondContact O-CA 3.36Å; C137-V168 PolarHBondContact O-N 3.26Å
138G91.9Very high90.6Very high5 Ų539.3 Ų39.35%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-85.8164.5168.800000112.3D140 F141 L142 V168G138-D140 PolarHBondContact O-N 2.99Å; G138-F141 WeakPolarHBondContact O-CB 3.46Å; G138-F141 PolarHBondContact O-N 3.11Å; G138-F141 VanDerWaalsContact O-N 3.07Å; G138-L142 PolarHBondContact O-N 3.44Å; G138-V168 WeakPolarHBondContact CA-O 3.31Å
139A86.9Confident91.7Very high0 Ų038.4 Ų38.40%021%0.214CC..Hα-helixtrans-59.4-26.9176.100000114.3S143 V168 L173 P175A139-S143 WeakPolarHBondContact O-CB 3.41Å; A139-S143 PolarHBondContact O-N 3.07Å; A139-S143 PolarHBondContact O-OG 3.42Å; A139-V168 PolarHBondContact N-O 2.86Å; A139-L173 HydrophobicContact CB-CB 3.74Å; A139-L173 HydrophobicContact CB-CD1 3.89Å; A139-L173 HydrophobicContact CB-CG 4.49Å; A139-P175 HydrophobicContact CB-CB 4.33Å
140D86.2Confident92.3Very high77 Ų7737.4 Ų37.441%0.41221%0.206SC..Hα-helixtrans-67.2-39.2173.957.5-45.8000112.2G138 S143 S144 R170 L173G138-D140 PolarHBondContact O-N 2.99Å; D140-S143 PolarHBondContact O-N 3.4Å; D140-S144 PolarHBondContact O-N 3.38Å; D140-R170 WeakPolarHBondContact OD1-CD 3.31Å; D140-R170 IonicContact OD1-CZ 2.84Å; D140-R170 IonicContact OD1-NH1 3.4Å; D140-R170 PolarHBondContact OD1-NH1 3.4Å; D140-R170 IonicContact OD2-NH1 2.78Å; D140-R170 PolarHBondContact OD2-NH1 2.94Å; D140-L173 HydrophobicContact CB-CD1 4.14Å
141F88.5Confident92.6Very high42 Ų4234.1 Ų34.118%0.18419%0.191CC..Hα-helixtrans-65.5-45.3173.6-174.2-80.5000111.4T94 L135 C137 G138 S143 S144 F145 W151T94-F141 HydrophobicContact CG2-CZ 4.42Å; L135-F141 HydrophobicContact CD2-CD1 4.44Å; L135-F141 HydrophobicContact CD2-CE1 3.5Å; L135-F141 HydrophobicContact CD2-CZ 3.79Å; C137-F141 HydrophobicContact CB-CB 3.8Å; C137-F141 HydrophobicContact CB-CD1 3.63Å; C137-F141 HydrophobicContact CB-CE1 4.3Å; C137-F141 HydrophobicContact CB-CG 3.75Å; G138-F141 WeakPolarHBondContact O-CB 3.46Å; G138-F141 PolarHBondContact O-N 3.11Å; G138-F141 VanDerWaalsContact O-N 3.07Å; F141-S143 VanDerWaalsContact C-N 3.27Å; F141-S143 PolarHBondContact O-N 3.42Å; F141-S144 VanDerWaalsContact O-CB 3.26Å; F141-S144 WeakPolarHBondContact O-CB 3.43Å; F141-S144 PolarHBondContact O-N 3.18Å; F141-S144 PolarHBondContact O-OG 3.23Å; F141-F145 HydrophobicContact CD1-CE1 4.32Å; F141-F145 AromaticContact CE1-CE1 3.89Å; F141-F145 HydrophobicContact CE1-CE1 3.89Å; F141-F145 HydrophobicContact CE1-CZ 4.16Å; F141-W151 AromaticContact CE1-CH2 3.77Å; F141-W151 HydrophobicContact CE1-CH2 3.77Å; F141-W151 AromaticContact CE1-CZ2 3.93Å; F141-W151 HydrophobicContact CE1-CZ2 3.93Å; F141-W151 HydrophobicContact CE2-CH2 4.16Å; F141-W151 HydrophobicContact CE2-CZ2 4.14Å; F141-W151 AromaticContact CZ-CH2 3.38Å; F141-W151 HydrophobicContact CZ-CH2 3.38Å; F141-W151 AromaticContact CZ-CZ2 3.68Å; F141-W151 HydrophobicContact CZ-CZ2 3.68Å
142L88Confident92.6Very high2 Ų235 Ų351%0.0120%0.195CC..Hα-helixtrans-60-40.4177.7-175.268.6000111.6G138 S144 F145 L165 C167 P175 A178 V179 L185G138-L142 PolarHBondContact O-N 3.44Å; L142-S144 PolarHBondContact O-N 2.82Å; L142-F145 HydrophobicContact CD1-CD2 4.03Å; L142-F145 HydrophobicContact CD1-CE2 3.8Å; L142-F145 WeakPolarHBondContact O-CB 3.45Å; L142-F145 PolarHBondContact O-N 3.23Å; L142-L165 HydrophobicContact CD1-CD1 3.64Å; L142-C167 HydrophobicContact CD2-CB 4.4Å; L142-P175 HydrophobicContact CD2-CB 3.95Å; L142-A178 HydrophobicContact CD2-CB 4.08Å; L142-A178 HydrophobicContact CG-CB 4.35Å; L142-V179 HydrophobicContact CD2-CG2 4.28Å; L142-L185 HydrophobicContact CD1-CD1 3.9Å; L142-L185 HydrophobicContact CD1-CD2 4.33Å; L142-L185 HydrophobicContact CG-CD1 4.4Å
143S87.3Confident92.4Very high48 Ų4838 Ų3834%0.33621%0.213SC..Hα-helixtrans-67.4-23.5178-62.10000112.5A139 D140 F141 F145 K146A139-S143 WeakPolarHBondContact O-CB 3.41Å; A139-S143 PolarHBondContact O-N 3.07Å; A139-S143 PolarHBondContact O-OG 3.42Å; D140-S143 PolarHBondContact O-N 3.4Å; F141-S143 VanDerWaalsContact C-N 3.27Å; F141-S143 PolarHBondContact O-N 3.42Å; S143-F145 PolarHBondContact O-N 3.28Å; S143-K146 PolarHBondContact O-N 2.97Å
144S91.4Very high92.3Very high17 Ų1743.2 Ų43.212%0.11924%0.241CC..G310 helixtrans-66.2-18.9177.583.40000113.7D140 F141 L142 K146 I147 W151D140-S144 PolarHBondContact O-N 3.38Å; F141-S144 VanDerWaalsContact O-CB 3.26Å; F141-S144 WeakPolarHBondContact O-CB 3.43Å; F141-S144 PolarHBondContact O-N 3.18Å; F141-S144 PolarHBondContact O-OG 3.23Å; L142-S144 PolarHBondContact O-N 2.82Å; S144-K146 PolarHBondContact O-N 2.87Å; S144-K146 VanDerWaalsContact O-N 3.11Å; S144-I147 WeakPolarHBondContact O-CB 3.47Å; S144-I147 WeakPolarHBondContact O-CG1 3.46Å; S144-I147 PolarHBondContact O-N 3.11Å; S144-W151 PolarHBondContact O-NE1 3.41Å; S144-W151 PolarHBondContact OG-NE1 2.67Å
145F91.8Very high92.2Very high28 Ų2845 Ų4512%0.12325%0.249CC..G310 helixtrans-59.7-21.3174.7-66.9-11.4000113.3F141 L142 S143 W151 V156 L159 L165 L185F141-F145 HydrophobicContact CD1-CE1 4.32Å; F141-F145 AromaticContact CE1-CE1 3.89Å; F141-F145 HydrophobicContact CE1-CE1 3.89Å; F141-F145 HydrophobicContact CE1-CZ 4.16Å; L142-F145 HydrophobicContact CD1-CD2 4.03Å; L142-F145 HydrophobicContact CD1-CE2 3.8Å; L142-F145 WeakPolarHBondContact O-CB 3.45Å; L142-F145 PolarHBondContact O-N 3.23Å; S143-F145 PolarHBondContact O-N 3.28Å; F145-W151 AromaticContact CD1-CD1 3.95Å; F145-W151 AromaticContact CD1-CD2 3.61Å; F145-W151 HydrophobicContact CD1-CD2 3.61Å; F145-W151 AromaticContact CD1-CE2 3.52Å; F145-W151 HydrophobicContact CD1-CE3 4.09Å; F145-W151 AromaticContact CD1-CG 3.93Å; F145-W151 HydrophobicContact CD1-CG 3.93Å; F145-W151 HydrophobicContact CD1-CH2 4.47Å; F145-W151 AromaticContact CD1-CZ2 3.98Å; F145-W151 HydrophobicContact CD1-CZ2 3.98Å; F145-W151 HydrophobicContact CD1-CZ3 4.5Å; F145-W151 AromaticContact CD1-NE1 3.68Å; F145-W151 AromaticContact CE1-CD2 3.82Å; F145-W151 HydrophobicContact CE1-CD2 3.82Å; F145-W151 AromaticContact CE1-CE2 3.69Å; F145-W151 AromaticContact CE1-CE3 3.87Å; F145-W151 HydrophobicContact CE1-CE3 3.87Å; F145-W151 AromaticContact CE1-CH2 3.81Å; F145-W151 HydrophobicContact CE1-CH2 3.81Å; F145-W151 AromaticContact CE1-CZ2 3.69Å; F145-W151 HydrophobicContact CE1-CZ2 3.69Å; F145-W151 AromaticContact CE1-CZ3 3.87Å; F145-W151 HydrophobicContact CE1-CZ3 3.87Å; F145-V156 HydrophobicContact CD1-CG2 4.32Å; F145-V156 HydrophobicContact CD2-CG1 3.86Å; F145-V156 HydrophobicContact CE2-CG1 4.06Å; F145-V156 HydrophobicContact CG-CG1 4.27Å; F145-V156 HydrophobicContact CG-CG2 4.37Å; F145-L159 HydrophobicContact CE1-CD2 4.33Å; F145-L159 HydrophobicContact CE2-CD2 4.46Å; F145-L159 HydrophobicContact CZ-CD2 3.62Å; F145-L165 HydrophobicContact CE2-CD1 3.97Å; F145-L165 HydrophobicContact CZ-CD1 4.4Å; F145-L185 HydrophobicContact CD2-CD1 4.31Å; F145-L185 HydrophobicContact CD2-CD2 4.06Å; F145-L185 HydrophobicContact CE2-CD2 4.06Å
146K89.1Confident92.1Very high102 Ų10245.5 Ų45.544%0.44325%0.252SS..G310 helixtrans-86.3-6.1177.6-60.9-179.4178.7176.10113.5S143 S144 P148 E181S143-K146 PolarHBondContact O-N 2.97Å; S144-K146 PolarHBondContact O-N 2.87Å; S144-K146 VanDerWaalsContact O-N 3.11Å; K146-P148 VanDerWaalsContact O-CD 3.3Å; K146-P148 WeakPolarHBondContact O-CD 3.49Å; K146-E181 IonicContact NZ-OE2 2.92Å; K146-E181 PolarHBondContact NZ-OE2 3.22Å
147I91.3Very high92Very high85 Ų8547.2 Ų47.244%0.43626%0.26SS..SBendtrans-77.1116.7-178.2-61.1174.6000108.6S144 G149 L150S144-I147 WeakPolarHBondContact O-CB 3.47Å; S144-I147 WeakPolarHBondContact O-CG1 3.46Å; S144-I147 PolarHBondContact O-N 3.11Å; I147-G149 PolarHBondContact O-N 3.05Å; I147-L150 HydrophobicContact CB-CB 3.89Å; I147-L150 HydrophobicContact CB-CD2 3.91Å; I147-L150 HydrophobicContact CD1-CD2 3.77Å; I147-L150 HydrophobicContact CG1-CD2 4.36Å; I147-L150 HydrophobicContact CG2-CB 3.86Å; I147-L150 HydrophobicContact CG2-CD2 4.18Å; I147-L150 WeakPolarHBondContact O-CB 3.41Å; I147-L150 PolarHBondContact O-N 3.04Å
148P90.9Very high92.1Very high116 Ų11648.7 Ų48.775%0.75327%0.266SS*.THydrogen-bonded Turntrans-58.1132.2-177.3-25.535.6000112.5K146 L150K146-P148 VanDerWaalsContact O-CD 3.3Å; K146-P148 WeakPolarHBondContact O-CD 3.49Å; P148-L150 PolarHBondContact O-N 3.18Å
149G90.6Very high92.3Very high37 Ų3748.5 Ų48.538%0.38126%0.264SS..THydrogen-bonded Turntrans71.53.9178.400000115.4I147 L252 Q255I147-G149 PolarHBondContact O-N 3.05Å; G149-L252 WeakPolarHBondContact O-CA 3.33Å; G149-L252 WeakPolarHBondContact O-CD2 3.21Å; G149-Q255 PolarHBondContact O-OE1 3.47Å
150L93.6Very high92.8Very high18 Ų1848.5 Ų48.59%0.09426%0.264CS..THydrogen-bonded Turntrans-85.7-31.7174.8-172.967.4000111.8I147 P148 L249 P251 L252 Q255I147-L150 HydrophobicContact CB-CB 3.89Å; I147-L150 HydrophobicContact CB-CD2 3.91Å; I147-L150 HydrophobicContact CD1-CD2 3.77Å; I147-L150 HydrophobicContact CG1-CD2 4.36Å; I147-L150 HydrophobicContact CG2-CB 3.86Å; I147-L150 HydrophobicContact CG2-CD2 4.18Å; I147-L150 WeakPolarHBondContact O-CB 3.41Å; I147-L150 PolarHBondContact O-N 3.04Å; P148-L150 PolarHBondContact O-N 3.18Å; L150-L249 HydrophobicContact CD1-CD1 4.36Å; L150-P251 HydrophobicContact CD1-CB 4.01Å; L150-P251 HydrophobicContact CD1-CG 3.9Å; L150-L252 HydrophobicContact CB-CD2 4.31Å; L150-Q255 PolarHBondContact O-NE2 3.24Å
151W94.9Very high93.3Very high40 Ų4050.4 Ų50.415%0.15227%0.27CS..SBendtrans-129.5139.3-178.5-63.788.4000110.3F141 S144 F145 V156 Q255F141-W151 AromaticContact CE1-CH2 3.77Å; F141-W151 HydrophobicContact CE1-CH2 3.77Å; F141-W151 AromaticContact CE1-CZ2 3.93Å; F141-W151 HydrophobicContact CE1-CZ2 3.93Å; F141-W151 HydrophobicContact CE2-CH2 4.16Å; F141-W151 HydrophobicContact CE2-CZ2 4.14Å; F141-W151 AromaticContact CZ-CH2 3.38Å; F141-W151 HydrophobicContact CZ-CH2 3.38Å; F141-W151 AromaticContact CZ-CZ2 3.68Å; F141-W151 HydrophobicContact CZ-CZ2 3.68Å; S144-W151 PolarHBondContact O-NE1 3.41Å; S144-W151 PolarHBondContact OG-NE1 2.67Å; F145-W151 AromaticContact CD1-CD1 3.95Å; F145-W151 AromaticContact CD1-CD2 3.61Å; F145-W151 HydrophobicContact CD1-CD2 3.61Å; F145-W151 AromaticContact CD1-CE2 3.52Å; F145-W151 HydrophobicContact CD1-CE3 4.09Å; F145-W151 AromaticContact CD1-CG 3.93Å; F145-W151 HydrophobicContact CD1-CG 3.93Å; F145-W151 HydrophobicContact CD1-CH2 4.47Å; F145-W151 AromaticContact CD1-CZ2 3.98Å; F145-W151 HydrophobicContact CD1-CZ2 3.98Å; F145-W151 HydrophobicContact CD1-CZ3 4.5Å; F145-W151 AromaticContact CD1-NE1 3.68Å; F145-W151 AromaticContact CE1-CD2 3.82Å; F145-W151 HydrophobicContact CE1-CD2 3.82Å; F145-W151 AromaticContact CE1-CE2 3.69Å; F145-W151 AromaticContact CE1-CE3 3.87Å; F145-W151 HydrophobicContact CE1-CE3 3.87Å; F145-W151 AromaticContact CE1-CH2 3.81Å; F145-W151 HydrophobicContact CE1-CH2 3.81Å; F145-W151 AromaticContact CE1-CZ2 3.69Å; F145-W151 HydrophobicContact CE1-CZ2 3.69Å; F145-W151 AromaticContact CE1-CZ3 3.87Å; F145-W151 HydrophobicContact CE1-CZ3 3.87Å; W151-V156 HydrophobicContact CB-CG2 3.72Å; W151-V156 HydrophobicContact CD2-CG2 4.41Å; W151-V156 HydrophobicContact CE3-CG2 4.18Å; W151-V156 HydrophobicContact CG-CG2 4.25Å; W151-Q255 PolarHBondContact O-OE1 3.19Å
152L94.7Very high93.8Very high36 Ų3654.7 Ų54.719%0.18829%0.285CS..  trans-83133.8166.6-65.5175.4000109D154 H155 V156 Q255 Q258L152-D154 VanDerWaalsContact C-N 3.32Å; L152-D154 PolarHBondContact O-N 2.93Å; L152-H155 HydrophobicContact CB-CB 4.14Å; L152-H155 WeakPolarHBondContact O-CA 3.45Å; L152-H155 WeakPolarHBondContact O-CB 3.32Å; L152-H155 PolarHBondContact O-N 3.43Å; L152-V156 PolarHBondContact O-N 2.94Å; L152-Q255 HydrophobicContact CD2-CB 4.32Å; L152-Q255 HydrophobicContact CD2-CG 3.78Å; L152-Q255 HydrophobicContact CG-CG 3.94Å; L152-Q258 VanDerWaalsContact CD1-OE1 3.22Å
153D93.6Very high94.2Very high130 Ų13054.7 Ų54.770%0.69529%0.285SS*.Hα-helixtrans-58.5-43.5-177.2-65.8-24.8000112H155 V156 E157D153-H155 PolarHBondContact O-N 3.15Å; D153-V156 PolarHBondContact O-N 3.24Å; D153-V156 VanDerWaalsContact O-N 3.09Å; D153-E157 PolarHBondContact O-N 2.88Å
154D95.8Very high94.7Very high114 Ų11452.4 Ų52.461%0.6127%0.269SS*.Hα-helixtrans-59.1-34.1175.4-71-12.5000112.2L152 E158L152-D154 VanDerWaalsContact C-N 3.32Å; L152-D154 PolarHBondContact O-N 2.93Å; D154-E158 PolarHBondContact O-N 3.38Å
155H96.4Very high95.1Very high37 Ų3751.6 Ų51.617%0.17126%0.264CS..Hα-helixtrans-73.8-37.6176.9-69.9-178.2000111.8V95 L152 D153 L159V95-H155 HydrophobicContact CB-CB 4.38Å; V95-H155 HydrophobicContact CG1-CB 3.88Å; L152-H155 HydrophobicContact CB-CB 4.14Å; L152-H155 WeakPolarHBondContact O-CA 3.45Å; L152-H155 WeakPolarHBondContact O-CB 3.32Å; L152-H155 PolarHBondContact O-N 3.43Å; D153-H155 PolarHBondContact O-N 3.15Å; H155-L159 VanDerWaalsContact O-CB 3.25Å; H155-L159 WeakPolarHBondContact O-CB 3.16Å; H155-L159 PolarHBondContact O-N 2.73Å
156V96.1Very high95.4Very high11 Ų1150.3 Ų50.37%0.06726%0.258CS..Hα-helixtrans-66.5-45.2174.7178.80000110F145 W151 L152 D153 L159 V160 T184F145-V156 HydrophobicContact CD1-CG2 4.32Å; F145-V156 HydrophobicContact CD2-CG1 3.86Å; F145-V156 HydrophobicContact CE2-CG1 4.06Å; F145-V156 HydrophobicContact CG-CG1 4.27Å; F145-V156 HydrophobicContact CG-CG2 4.37Å; W151-V156 HydrophobicContact CB-CG2 3.72Å; W151-V156 HydrophobicContact CD2-CG2 4.41Å; W151-V156 HydrophobicContact CE3-CG2 4.18Å; W151-V156 HydrophobicContact CG-CG2 4.25Å; L152-V156 PolarHBondContact O-N 2.94Å; D153-V156 PolarHBondContact O-N 3.24Å; D153-V156 VanDerWaalsContact O-N 3.09Å; V156-L159 WeakPolarHBondContact O-CB 3.23Å; V156-L159 PolarHBondContact O-N 3.12Å; V156-V160 WeakPolarHBondContact O-CG2 3.44Å; V156-V160 PolarHBondContact O-N 2.92Å; V156-V160 VanDerWaalsContact O-N 3.08Å; V156-T184 HydrophobicContact CG1-CG2 4.03Å
157E96.8Very high95.7Very high40 Ų4045.4 Ų45.419%0.18724%0.237CC..Hα-helixtrans-57.5-51.6177.2-171.675.1-168.500110.8D153 L159 V160 Q161 T184 R187 H188D153-E157 PolarHBondContact O-N 2.88Å; E157-L159 VanDerWaalsContact C-N 3.33Å; E157-L159 PolarHBondContact O-N 2.81Å; E157-V160 PolarHBondContact O-N 2.87Å; E157-Q161 WeakPolarHBondContact O-CB 3.42Å; E157-Q161 PolarHBondContact O-N 3.01Å; E157-T184 HydrophobicContact CB-CG2 4.41Å; E157-T184 VanDerWaalsContact OE2-CB 3.29Å; E157-T184 WeakPolarHBondContact OE2-CB 3.48Å; E157-T184 WeakPolarHBondContact OE2-CG2 3.26Å; E157-T184 PolarHBondContact OE2-OG1 3.48Å; E157-R187 VanDerWaalsContact CD-NH1 3.27Å; E157-R187 IonicContact OE1-NH1 3.51Å; E157-R187 PolarHBondContact OE1-NH1 2.96Å; E157-R187 IonicContact OE2-NH1 3.7Å; E157-R187 PolarHBondContact OE2-NH1 2.77Å; E157-H188 IonicContact OE1-CD2 2.6Å; E157-H188 PolarHBondContact OE1-CD2 2.9Å; E157-H188 IonicContact OE1-CE1 2.68Å; E157-H188 IonicContact OE1-NE2 2.91Å; E157-H188 PolarHBondContact OE1-NE2 3.45Å
158E98.1Very high95.9Very high38 Ų3841.4 Ų41.418%0.17822%0.216CC..Hα-helixtrans-61.4-42.5177.2178.5174.1168.400111.8V95 R99 D154 V160 Q161 R162 F163V95-E158 HydrophobicContact CG2-CB 4.06Å; V95-E158 HydrophobicContact CG2-CG 3.82Å; R99-E158 IonicContact CZ-OE1 2.83Å; R99-E158 IonicContact CZ-OE2 3.26Å; R99-E158 VanDerWaalsContact CZ-OE2 3.3Å; R99-E158 IonicContact NE-OE1 3.89Å; R99-E158 PolarHBondContact NE-OE1 2.86Å; R99-E158 IonicContact NE-OE2 3.76Å; R99-E158 PolarHBondContact NE-OE2 2.83Å; R99-E158 IonicContact NH2-OE1 3.97Å; R99-E158 IonicContact NH2-OE2 3.7Å; R99-E158 PolarHBondContact NH2-OE2 2.9Å; D154-E158 PolarHBondContact O-N 3.38Å; E158-V160 VanDerWaalsContact C-N 3.31Å; E158-V160 PolarHBondContact O-N 2.81Å; E158-Q161 PolarHBondContact O-N 3.36Å; E158-R162 HydrophobicContact CG-CB 4.01Å; E158-R162 WeakPolarHBondContact O-CB 3.48Å; E158-R162 PolarHBondContact O-N 2.82Å; E158-R162 IonicContact OE1-CZ 3.48Å; E158-R162 IonicContact OE1-NH1 3.07Å; E158-R162 PolarHBondContact OE1-NH1 3.26Å; E158-F163 HydrophobicContact CG-CE2 4.21Å
159L97.5Very high95.7Very high1 Ų136.6 Ų36.61%0.00519%0.185CC..Iπ-helixtrans-54.7-49.4-179.5-171.882.1000111.2T94 M98 L135 F145 H155 V156 E157 F163 G164 L165T94-L159 HydrophobicContact CG2-CD1 4.28Å; M98-L159 HydrophobicContact CG-CD1 3.73Å; L135-L159 HydrophobicContact CB-CD1 4.5Å; L135-L159 HydrophobicContact CD2-CD1 4.14Å; L135-L159 HydrophobicContact CD2-CD2 3.82Å; L135-L159 HydrophobicContact CD2-CG 4.43Å; F145-L159 HydrophobicContact CE1-CD2 4.33Å; F145-L159 HydrophobicContact CE2-CD2 4.46Å; F145-L159 HydrophobicContact CZ-CD2 3.62Å; H155-L159 VanDerWaalsContact O-CB 3.25Å; H155-L159 WeakPolarHBondContact O-CB 3.16Å; H155-L159 PolarHBondContact O-N 2.73Å; V156-L159 WeakPolarHBondContact O-CB 3.23Å; V156-L159 PolarHBondContact O-N 3.12Å; E157-L159 VanDerWaalsContact C-N 3.33Å; E157-L159 PolarHBondContact O-N 2.81Å; L159-F163 WeakPolarHBondContact O-CB 3.41Å; L159-F163 PolarHBondContact O-N 2.76Å; L159-G164 PolarHBondContact O-N 3.31Å; L159-L165 HydrophobicContact CD2-CD2 3.68Å; L159-L165 HydrophobicContact CG-CD2 4.06Å
160V96.8Very high95Very high0 Ų037.2 Ų37.20%018%0.176CC..Iπ-helixtrans-82.6-31.8-175.7-57.60000113.5V156 E157 E158 L165 T184 L185 H188 N191V156-V160 WeakPolarHBondContact O-CG2 3.44Å; V156-V160 PolarHBondContact O-N 2.92Å; V156-V160 VanDerWaalsContact O-N 3.08Å; E157-V160 PolarHBondContact O-N 2.87Å; E158-V160 VanDerWaalsContact C-N 3.31Å; E158-V160 PolarHBondContact O-N 2.81Å; V160-L165 HydrophobicContact CG1-CD1 3.69Å; V160-L165 HydrophobicContact CG1-CG 3.95Å; V160-T184 HydrophobicContact CG2-CG2 3.72Å; V160-L185 HydrophobicContact CG1-CD2 3.62Å; V160-H188 HydrophobicContact CB-CB 4.14Å; V160-H188 HydrophobicContact CG2-CB 3.77Å; V160-N191 PolarHBondContact O-ND2 2.74Å
161Q97.3Very high94Very high117 Ų11737.9 Ų37.955%0.54719%0.187SC..Iπ-helixtrans-73.9-50.9178.3-177.5178.63.900111.4E157 E158 N191E157-Q161 WeakPolarHBondContact O-CB 3.42Å; E157-Q161 PolarHBondContact O-N 3.01Å; E158-Q161 PolarHBondContact O-N 3.36Å; Q161-N191 PolarHBondContact O-ND2 2.95Å
162R97.3Very high93Very high132 Ų13241.4 Ų41.450%0.49822%0.218SC..Iπ-helixtrans-86.4-43.5-169.7-174.4-179.2174.1178.34.1112.9E158E158-R162 HydrophobicContact CG-CB 4.01Å; E158-R162 WeakPolarHBondContact O-CB 3.48Å; E158-R162 PolarHBondContact O-N 2.82Å; E158-R162 IonicContact OE1-CZ 3.48Å; E158-R162 IonicContact OE1-NH1 3.07Å; E158-R162 PolarHBondContact OE1-NH1 3.26Å
163F98.1Very high92.2Very high2 Ų243.1 Ų43.11%0.00923%0.227CC..Iπ-helixtrans-101.7-57-174.4-55.4-74.2000111V95 M98 R99 H102 L133 K134 E158 L159 N191V95-F163 HydrophobicContact CG2-CE2 4.08Å; M98-F163 HydrophobicContact CB-CD1 4.23Å; M98-F163 HydrophobicContact CB-CD2 3.85Å; M98-F163 HydrophobicContact CB-CE1 4.09Å; M98-F163 HydrophobicContact CB-CE2 3.69Å; M98-F163 HydrophobicContact CB-CG 4.12Å; M98-F163 HydrophobicContact CB-CZ 3.81Å; M98-F163 HydrophobicContact CE-CB 3.44Å; M98-F163 VanDerWaalsContact CE-CB 3.44Å; M98-F163 HydrophobicContact CE-CD1 3.99Å; M98-F163 HydrophobicContact CE-CD2 4.29Å; M98-F163 HydrophobicContact CE-CG 3.65Å; M98-F163 HydrophobicContact CG-CD2 4.44Å; R99-F163 HydrophobicContact CB-CZ 4.46Å; R99-F163 HydrophobicContact CG-CE2 4.35Å; R99-F163 HydrophobicContact CG-CZ 3.85Å; H102-F163 HydrophobicContact CB-CD1 4.42Å; H102-F163 HydrophobicContact CB-CE1 3.66Å; H102-F163 AromaticContact CD2-CE1 3.98Å; H102-F163 AromaticContact CG-CE1 3.85Å; L133-F163 HydrophobicContact CB-CD1 4.48Å; L133-F163 HydrophobicContact CD2-CD1 4.46Å; L133-F163 CarbonylContact O-C 3.47Å; L133-F163 WeakPolarHBondContact O-CA 3.48Å; L133-F163 WeakPolarHBondContact O-CB 3.43Å; K134-F163 WeakPolarHBondContact CG-O 3.35Å; K134-F163 PolarHBondContact NZ-O 3.32Å; E158-F163 HydrophobicContact CG-CE2 4.21Å; L159-F163 WeakPolarHBondContact O-CB 3.41Å; L159-F163 PolarHBondContact O-N 2.76Å; F163-N191 PolarHBondContact O-ND2 3.34Å
164G97.9Very high91.6Very high0 Ų042.8 Ų42.80%022%0.221CC..  trans95.7168.6-175.400000113L135 L159 N191L135-G164 PolarHBondContact N-O 3.19Å; L159-G164 PolarHBondContact O-N 3.31Å; G164-N191 CarbonylContact C-O 3.59Å; G164-N191 VanDerWaalsContact CA-CG 3.46Å; G164-N191 WeakPolarHBondContact CA-ND2 3.31Å; G164-N191 WeakPolarHBondContact CA-O 3.37Å; G164-N191 PolarHBondContact N-ND2 3.05Å
165L98.1Very high91.2Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-122.3141.5-172.9-57.1-178.8000110.8L135 L142 F145 L159 V160 L185 N191 V192 F193L135-L165 HydrophobicContact CB-CD2 3.85Å; L135-L165 HydrophobicContact CD2-CD2 3.93Å; L135-L165 HydrophobicContact CG-CD2 4.4Å; L135-L165 CarbonylContact O-C 3.46Å; L135-L165 WeakPolarHBondContact O-CA 3.43Å; L142-L165 HydrophobicContact CD1-CD1 3.64Å; F145-L165 HydrophobicContact CE2-CD1 3.97Å; F145-L165 HydrophobicContact CZ-CD1 4.4Å; L159-L165 HydrophobicContact CD2-CD2 3.68Å; L159-L165 HydrophobicContact CG-CD2 4.06Å; V160-L165 HydrophobicContact CG1-CD1 3.69Å; V160-L165 HydrophobicContact CG1-CG 3.95Å; L165-L185 HydrophobicContact CD1-CD2 4.34Å; L165-N191 PolarHBondContact N-O 3.24Å; L165-V192 HydrophobicContact CB-CG1 4.26Å; L165-V192 HydrophobicContact CB-CG2 4.44Å; L165-V192 HydrophobicContact CD1-CG1 4.46Å; L165-V192 HydrophobicContact CD1-CG2 4.3Å; L165-V192 HydrophobicContact CG-CG2 4.46Å; L165-F193 WeakPolarHBondContact O-CD2 3.22Å; L165-F193 PolarHBondContact O-N 2.62Å
166V98.3Very high90.8Very high0 Ų040.8 Ų40.80%021%0.208CC..EExtended strand (participates in β ladder)trans-117.2100161.2-172.50000106.8L10 A30 M34 K134 L135 L136 C137 F193 V195L10-V166 HydrophobicContact CD2-CB 4.5Å; L10-V166 HydrophobicContact CD2-CG2 3.91Å; A30-V166 HydrophobicContact CB-CG1 3.68Å; M34-V166 HydrophobicContact CE-CG2 4.27Å; M34-V166 HydrophobicContact CG-CG1 4.46Å; M34-V166 HydrophobicContact CG-CG2 4.23Å; M34-V166 HydrophobicContact SD-CG1 4.35Å; M34-V166 HydrophobicContact SD-CG2 3.86Å; K134-V166 HydrophobicContact CB-CG2 4.02Å; K134-V166 HydrophobicContact CD-CG2 3.98Å; L135-V166 PolarHBondContact O-N 3.08Å; L136-V166 WeakPolarHBondContact CA-O 3.33Å; L136-V166 HydrophobicContact CD1-CB 4.37Å; L136-V166 HydrophobicContact CD1-CG1 4.4Å; L136-V166 WeakPolarHBondContact CD1-O 3.45Å; C137-V166 PolarHBondContact N-O 3.16Å; V166-F193 CarbonylContact C-O 3.55Å; V166-F193 WeakPolarHBondContact CA-O 3.2Å; V166-F193 HydrophobicContact CG1-CB 4.39Å; V166-F193 HydrophobicContact CG2-CB 4.29Å; V166-V195 HydrophobicContact CG1-CG2 3.61Å
167C96.8Very high90.5Very high0 Ų047.1 Ų47.10%023%0.231CC..EExtended strand (participates in β ladder)trans-101.6116.8-174.5-173.90000110.3C137 L142 F193 L194 V195C137-C167 CarbonylContact O-C 3.58Å; C137-C167 WeakPolarHBondContact O-CA 3.36Å; L142-C167 HydrophobicContact CD2-CB 4.4Å; C167-F193 PolarHBondContact N-O 3.25Å; C167-L194 HydrophobicContact CB-CD2 3.9Å; C167-V195 PolarHBondContact O-N 3.42Å
168V94.1Very high90Very high0 Ų045.4 Ų45.40%022%0.224CC..EExtended strand (participates in β ladder)trans-89.1125.4176.1-1740000109.6L26 L29 L136 C137 G138 A139 V195 E197L26-V168 HydrophobicContact CB-CG2 4.44Å; L26-V168 HydrophobicContact CG-CB 4.15Å; L26-V168 HydrophobicContact CG-CG2 4.1Å; L29-V168 HydrophobicContact CB-CG1 4.48Å; L29-V168 HydrophobicContact CD1-CG1 3.76Å; L136-V168 HydrophobicContact CD1-CG2 4.02Å; C137-V168 PolarHBondContact O-N 3.26Å; G138-V168 WeakPolarHBondContact CA-O 3.31Å; A139-V168 PolarHBondContact N-O 2.86Å; V168-V195 CarbonylContact C-O 3.43Å; V168-V195 WeakPolarHBondContact CA-O 3.22Å; V168-V195 HydrophobicContact CG2-CB 4.12Å; V168-V195 HydrophobicContact CG2-CG1 4.47Å; V168-E197 HydrophobicContact CG1-CB 4.14Å
169S86.8Confident89.8Confident15 Ų1544.3 Ų44.311%0.10522%0.22CC..PPolyproline II helixtrans-60.6139.5176.567.90000110.6V195 R196 E197S169-V195 PolarHBondContact N-O 3.4Å; S169-V195 PolarHBondContact OG-O 3.29Å; S169-R196 WeakPolarHBondContact OG-CA 3.4Å; S169-E197 PolarHBondContact OG-N 3.41Å
170R75.9Confident89.5Confident51 Ų5150.7 Ų50.719%0.19225%0.249CC..  trans-126.5124.2176.1-64.1-179.373-154.2-1.3110.3D140 S172 L173D140-R170 WeakPolarHBondContact OD1-CD 3.31Å; D140-R170 IonicContact OD1-CZ 2.84Å; D140-R170 IonicContact OD1-NH1 3.4Å; D140-R170 PolarHBondContact OD1-NH1 3.4Å; D140-R170 IonicContact OD2-NH1 2.78Å; D140-R170 PolarHBondContact OD2-NH1 2.94Å; R170-S172 PolarHBondContact O-N 3.43Å; R170-L173 WeakPolarHBondContact O-CB 3.25Å; R170-L173 PolarHBondContact O-N 3.47Å
171G72.9Confident89.2Confident32 Ų3255.2 Ų55.233%0.3327%0.27SS..THydrogen-bonded Turntrans54.3-123.917700000113.3E202G171-E202 WeakPolarHBondContact CA-OE1 3.2Å
172S73.3Confident89Confident113 Ų11351 Ų5179%0.7925%0.254SS*.THydrogen-bonded Turntrans-92.92.8178.761.80000114.4R170R170-S172 PolarHBondContact O-N 3.43Å
173L78.1Confident88.9Confident73 Ų7350.9 Ų50.938%0.38226%0.263SS..  trans-67136.1178.3-63.8175000110.1A139 D140 R170 P175A139-L173 HydrophobicContact CB-CB 3.74Å; A139-L173 HydrophobicContact CB-CD1 3.89Å; A139-L173 HydrophobicContact CB-CG 4.49Å; D140-L173 HydrophobicContact CB-CD1 4.14Å; R170-L173 WeakPolarHBondContact O-CB 3.25Å; R170-L173 PolarHBondContact O-N 3.47Å; L173-P175 WeakPolarHBondContact O-CD 3.44Å
174Q81.6Confident88.7Confident122 Ų12252.2 Ų52.257%0.5727%0.271SS*.  trans-106.786.1-178.5-65.7-178.4-10.100109.6E176 R177 A178Q174-E176 PolarHBondContact O-N 2.84Å; Q174-R177 HydrophobicContact CB-CB 3.93Å; Q174-R177 WeakPolarHBondContact O-CB 3.34Å; Q174-R177 PolarHBondContact O-N 3.48Å; Q174-R177 VanDerWaalsContact O-N 3.08Å; Q174-A178 PolarHBondContact O-N 2.85Å
175P86.3Confident88.6Confident2 Ų252.3 Ų52.31%0.01327%0.272CS..Hα-helixtrans-61.5-26.8179.727-35.7000112.5A139 L142 L173 R177 A178 V179 L194A139-P175 HydrophobicContact CB-CB 4.33Å; L142-P175 HydrophobicContact CD2-CB 3.95Å; L173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-R177 VanDerWaalsContact C-N 3.3Å; P175-R177 PolarHBondContact O-N 3.41Å; P175-A178 WeakPolarHBondContact O-CB 3.13Å; P175-A178 PolarHBondContact O-N 3.39Å; P175-V179 WeakPolarHBondContact O-CG2 3.36Å; P175-V179 PolarHBondContact O-N 3.24Å; P175-L194 HydrophobicContact CB-CD1 4.44Å; P175-L194 HydrophobicContact CB-CD2 3.93Å; P175-L194 HydrophobicContact CG-CD2 4.43Å
176E89.6Confident88.5Confident107 Ų10756.7 Ų56.750%0.529%0.291SS..Hα-helixtrans-59.6-41.9173.9-58.776.1-171.900111.4Q174 V179 H180 L194Q174-E176 PolarHBondContact O-N 2.84Å; E176-V179 PolarHBondContact O-N 3.16Å; E176-H180 WeakPolarHBondContact O-CB 3.39Å; E176-H180 PolarHBondContact O-N 3.29Å; E176-L194 HydrophobicContact CB-CD1 4.22Å; E176-L194 HydrophobicContact CG-CD1 3.72Å
177R88.5Confident88.4Confident144 Ų14463 Ų6354%0.54332%0.315SS..Hα-helixtrans-67.5-40177.2-175.8175.8175.5176.8-0.3111.1Q174 P175 V179 H180 E181Q174-R177 HydrophobicContact CB-CB 3.93Å; Q174-R177 WeakPolarHBondContact O-CB 3.34Å; Q174-R177 PolarHBondContact O-N 3.48Å; Q174-R177 VanDerWaalsContact O-N 3.08Å; P175-R177 VanDerWaalsContact C-N 3.3Å; P175-R177 PolarHBondContact O-N 3.41Å; R177-V179 VanDerWaalsContact C-N 3.31Å; R177-V179 PolarHBondContact O-N 2.91Å; R177-H180 PolarHBondContact O-N 3.37Å; R177-E181 HydrophobicContact CG-CG 4.29Å; R177-E181 WeakPolarHBondContact CG-OE1 3.26Å; R177-E181 IonicContact CZ-OE1 3.69Å; R177-E181 IonicContact NE-OE1 3.57Å; R177-E181 PolarHBondContact NE-OE1 2.94Å; R177-E181 IonicContact NH2-OE1 3.71Å; R177-E181 PolarHBondContact NH2-OE1 3.45Å; R177-E181 VanDerWaalsContact NH2-OE1 3.09Å; R177-E181 WeakPolarHBondContact O-CB 3.21Å; R177-E181 WeakPolarHBondContact O-CG 3.29Å; R177-E181 PolarHBondContact O-N 3.28Å
178A87.9Confident88.5Confident5 Ų564.6 Ų64.64%0.04132%0.322CS..Hα-helixtrans-60.6-40.4175.100000112.2L142 Q174 P175L142-A178 HydrophobicContact CD2-CB 4.08Å; L142-A178 HydrophobicContact CG-CB 4.35Å; Q174-A178 PolarHBondContact O-N 2.85Å; P175-A178 WeakPolarHBondContact O-CB 3.13Å; P175-A178 PolarHBondContact O-N 3.39Å
179V92.1Very high88.6Confident14 Ų1469.9 Ų69.99%0.08534%0.342CS..Hα-helixtrans-68-40174.7174.60000111.9L142 P175 E176 R177 L185 R189 V192 L194L142-V179 HydrophobicContact CD2-CG2 4.28Å; P175-V179 WeakPolarHBondContact O-CG2 3.36Å; P175-V179 PolarHBondContact O-N 3.24Å; E176-V179 PolarHBondContact O-N 3.16Å; R177-V179 VanDerWaalsContact C-N 3.31Å; R177-V179 PolarHBondContact O-N 2.91Å; V179-L185 HydrophobicContact CB-CB 4.42Å; V179-L185 HydrophobicContact CG1-CB 4.23Å; V179-L185 HydrophobicContact CG2-CB 4.43Å; V179-L185 HydrophobicContact CG2-CD1 4.47Å; V179-R189 HydrophobicContact CG1-CB 4.09Å; V179-V192 HydrophobicContact CG2-CG1 3.94Å; V179-L194 HydrophobicContact CG2-CD1 4.4Å; V179-L194 HydrophobicContact CG2-CD2 4.37Å
180H91.9Very high89.1Confident136 Ų13679.5 Ų79.563%0.6338%0.376SS*.Hα-helixtrans-66-40180-179.760.4000113.1E176 R177 S182E176-H180 WeakPolarHBondContact O-CB 3.39Å; E176-H180 PolarHBondContact O-N 3.29Å; R177-H180 PolarHBondContact O-N 3.37Å; H180-S182 VanDerWaalsContact C-N 3.28Å; H180-S182 PolarHBondContact O-N 2.89Å
181E90.7Very high90.1Very high94 Ų9478.5 Ų78.544%0.43938%0.375SS..THydrogen-bonded Turntrans-81.1-0.7-176.7-68.417517000113.9K146 R177K146-E181 IonicContact NZ-OE2 2.92Å; K146-E181 PolarHBondContact NZ-OE2 3.22Å; R177-E181 HydrophobicContact CG-CG 4.29Å; R177-E181 WeakPolarHBondContact CG-OE1 3.26Å; R177-E181 IonicContact CZ-OE1 3.69Å; R177-E181 IonicContact NE-OE1 3.57Å; R177-E181 PolarHBondContact NE-OE1 2.94Å; R177-E181 IonicContact NH2-OE1 3.71Å; R177-E181 PolarHBondContact NH2-OE1 3.45Å; R177-E181 VanDerWaalsContact NH2-OE1 3.09Å; R177-E181 WeakPolarHBondContact O-CB 3.21Å; R177-E181 WeakPolarHBondContact O-CG 3.29Å; R177-E181 PolarHBondContact O-N 3.28Å
182S93.3Very high91.2Very high30 Ų3077.6 Ų77.621%0.2136%0.363CS..  trans-121.3117.7-179.3171.30000110.7H180 T184 L185 F186H180-S182 VanDerWaalsContact C-N 3.28Å; H180-S182 PolarHBondContact O-N 2.89Å; S182-T184 VanDerWaalsContact C-N 3.33Å; S182-T184 PolarHBondContact O-N 3.18Å; S182-L185 PolarHBondContact O-N 3.48Å; S182-L185 WeakPolarHBondContact OG-CG 3.33Å; S182-L185 PolarHBondContact OG-N 3.19Å; S182-F186 VanDerWaalsContact O-CB 3.31Å; S182-F186 WeakPolarHBondContact O-CB 3.28Å; S182-F186 PolarHBondContact O-N 2.97Å
183D94.3Very high92.4Very high129 Ų12972.8 Ų72.869%0.6933%0.328SS*.Hα-helixtrans-58.2-43.8-179.8-73.4-8.6000112.5F186 R187D183-F186 PolarHBondContact O-N 3.31Å; D183-R187 WeakPolarHBondContact O-CB 3.37Å; D183-R187 PolarHBondContact O-N 3.23Å
184T95.2Very high93.2Very high29 Ų2971.5 Ų71.518%0.17832%0.321CS..Hα-helixtrans-61.4-48.5176.4-770000112V156 E157 V160 S182 F186 R187 H188V156-T184 HydrophobicContact CG1-CG2 4.03Å; E157-T184 HydrophobicContact CB-CG2 4.41Å; E157-T184 VanDerWaalsContact OE2-CB 3.29Å; E157-T184 WeakPolarHBondContact OE2-CB 3.48Å; E157-T184 WeakPolarHBondContact OE2-CG2 3.26Å; E157-T184 PolarHBondContact OE2-OG1 3.48Å; V160-T184 HydrophobicContact CG2-CG2 3.72Å; S182-T184 VanDerWaalsContact C-N 3.33Å; S182-T184 PolarHBondContact O-N 3.18Å; T184-F186 PolarHBondContact O-N 2.8Å; T184-R187 PolarHBondContact O-N 2.71Å; T184-R187 PolarHBondContact OG1-NH1 2.9Å; T184-H188 PolarHBondContact O-CD2 2.59Å; T184-H188 PolarHBondContact O-N 2.93Å
185L95.2Very high93.9Very high3 Ų366 Ų662%0.01630%0.296CS..Hα-helixtrans-65.6-40.4178.6-63.1-178000111.6L142 F145 V160 L165 V179 S182 H188 R189L142-L185 HydrophobicContact CD1-CD1 3.9Å; L142-L185 HydrophobicContact CD1-CD2 4.33Å; L142-L185 HydrophobicContact CG-CD1 4.4Å; F145-L185 HydrophobicContact CD2-CD1 4.31Å; F145-L185 HydrophobicContact CD2-CD2 4.06Å; F145-L185 HydrophobicContact CE2-CD2 4.06Å; V160-L185 HydrophobicContact CG1-CD2 3.62Å; L165-L185 HydrophobicContact CD1-CD2 4.34Å; V179-L185 HydrophobicContact CB-CB 4.42Å; V179-L185 HydrophobicContact CG1-CB 4.23Å; V179-L185 HydrophobicContact CG2-CB 4.43Å; V179-L185 HydrophobicContact CG2-CD1 4.47Å; S182-L185 PolarHBondContact O-N 3.48Å; S182-L185 WeakPolarHBondContact OG-CG 3.33Å; S182-L185 PolarHBondContact OG-N 3.19Å; L185-H188 CarbonylContact O-C 3.55Å; L185-H188 PolarHBondContact O-N 2.74Å; L185-R189 VanDerWaalsContact O-CA 3.31Å; L185-R189 WeakPolarHBondContact O-CA 3.4Å; L185-R189 PolarHBondContact O-N 2.94Å
186F95.9Very high94.1Very high91 Ų9173.1 Ų73.140%0.39932%0.322SS..Hα-helixtrans-67.2-41179.6-172.9-96.2000112.2S182 D183 T184 H188 R189S182-F186 VanDerWaalsContact O-CB 3.31Å; S182-F186 WeakPolarHBondContact O-CB 3.28Å; S182-F186 PolarHBondContact O-N 2.97Å; D183-F186 PolarHBondContact O-N 3.31Å; T184-F186 PolarHBondContact O-N 2.8Å; F186-H188 VanDerWaalsContact C-N 3.28Å; F186-H188 PolarHBondContact O-N 3Å; F186-R189 WeakPolarHBondContact O-CB 3.16Å; F186-R189 VanDerWaalsContact O-CD 3.25Å; F186-R189 WeakPolarHBondContact O-CD 3.46Å; F186-R189 WeakPolarHBondContact O-CG 3.47Å; F186-R189 PolarHBondContact O-N 3.02Å; F186-R189 PolarHBondContact O-NH1 3.07Å
187R97.3Very high94.2Very high134 Ų13468.9 Ų68.951%0.50630%0.302SS..Hα-helixtrans-56.6-44.7175.3-171.1-174.5-55.3118.77110.9E157 D183 T184E157-R187 VanDerWaalsContact CD-NH1 3.27Å; E157-R187 IonicContact OE1-NH1 3.51Å; E157-R187 PolarHBondContact OE1-NH1 2.96Å; E157-R187 IonicContact OE2-NH1 3.7Å; E157-R187 PolarHBondContact OE2-NH1 2.77Å; D183-R187 WeakPolarHBondContact O-CB 3.37Å; D183-R187 PolarHBondContact O-N 3.23Å; T184-R187 PolarHBondContact O-N 2.71Å; T184-R187 PolarHBondContact OG1-NH1 2.9Å
188H97.3Very high94.1Very high32 Ų3271 Ų7115%0.14831%0.311CS..THydrogen-bonded Turntrans-98.715.9-178.1-61.7-64.4000114.5E157 V160 T184 L185 F186 R190 N191E157-H188 IonicContact OE1-CD2 2.6Å; E157-H188 PolarHBondContact OE1-CD2 2.9Å; E157-H188 IonicContact OE1-CE1 2.68Å; E157-H188 IonicContact OE1-NE2 2.91Å; E157-H188 PolarHBondContact OE1-NE2 3.45Å; V160-H188 HydrophobicContact CB-CB 4.14Å; V160-H188 HydrophobicContact CG2-CB 3.77Å; T184-H188 PolarHBondContact O-CD2 2.59Å; T184-H188 PolarHBondContact O-N 2.93Å; L185-H188 CarbonylContact O-C 3.55Å; L185-H188 PolarHBondContact O-N 2.74Å; F186-H188 VanDerWaalsContact C-N 3.28Å; F186-H188 PolarHBondContact O-N 3Å; H188-R190 PolarHBondContact O-N 3.01Å; H188-N191 WeakPolarHBondContact O-CB 3.44Å; H188-N191 PolarHBondContact O-N 3.01Å
189R96.4Very high94.1Very high112 Ų11275.9 Ų75.942%0.42334%0.34SS..G310 helixtrans-55-24.3-173.170.4-167.8-179.7-73.41.4115.3V179 L185 F186 N191 V192V179-R189 HydrophobicContact CG1-CB 4.09Å; L185-R189 VanDerWaalsContact O-CA 3.31Å; L185-R189 WeakPolarHBondContact O-CA 3.4Å; L185-R189 PolarHBondContact O-N 2.94Å; F186-R189 WeakPolarHBondContact O-CB 3.16Å; F186-R189 VanDerWaalsContact O-CD 3.25Å; F186-R189 WeakPolarHBondContact O-CD 3.46Å; F186-R189 WeakPolarHBondContact O-CG 3.47Å; F186-R189 PolarHBondContact O-N 3.02Å; F186-R189 PolarHBondContact O-NH1 3.07Å; R189-N191 PolarHBondContact O-N 2.91Å; R189-V192 PolarHBondContact O-N 2.65Å; R189-V192 VanDerWaalsContact O-O 3.12Å
190R96.6Very high93.6Very high216 Ų21684.6 Ų84.682%0.81537%0.371SS*.G310 helixtrans-67.1-19.6175-68.7-177.8176.5168.3-0.7113.1H188H188-R190 PolarHBondContact O-N 3.01Å
191N97.5Very high93Very high30 Ų3080 Ų8016%0.1635%0.351CS..G310 helixtrans-104.37176.7-155.321.7000112.7K134 V160 Q161 F163 G164 L165 H188 R189K134-N191 PolarHBondContact NZ-OD1 2.98Å; V160-N191 PolarHBondContact O-ND2 2.74Å; Q161-N191 PolarHBondContact O-ND2 2.95Å; F163-N191 PolarHBondContact O-ND2 3.34Å; G164-N191 CarbonylContact C-O 3.59Å; G164-N191 VanDerWaalsContact CA-CG 3.46Å; G164-N191 WeakPolarHBondContact CA-ND2 3.31Å; G164-N191 WeakPolarHBondContact CA-O 3.37Å; G164-N191 PolarHBondContact N-ND2 3.05Å; L165-N191 PolarHBondContact N-O 3.24Å; H188-N191 WeakPolarHBondContact O-CB 3.44Å; H188-N191 PolarHBondContact O-N 3.01Å; R189-N191 PolarHBondContact O-N 2.91Å
192V97.3Very high92.5Very high13 Ų1381 Ų818%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-113.1110.2176.3179.70000108.2L165 V179 R189 L194L165-V192 HydrophobicContact CB-CG1 4.26Å; L165-V192 HydrophobicContact CB-CG2 4.44Å; L165-V192 HydrophobicContact CD1-CG1 4.46Å; L165-V192 HydrophobicContact CD1-CG2 4.3Å; L165-V192 HydrophobicContact CG-CG2 4.46Å; V179-V192 HydrophobicContact CG2-CG1 3.94Å; R189-V192 PolarHBondContact O-N 2.65Å; R189-V192 VanDerWaalsContact O-O 3.12Å; V192-L194 HydrophobicContact CG1-CD2 3.93Å
193F97.4Very high92.3Very high12 Ų1280.5 Ų80.55%0.05335%0.352CS..EExtended strand (participates in β ladder)trans-100.5119-176.6-63.1-104.6000108.8M34 F40 K134 L165 V166 C167M34-F193 HydrophobicContact CE-CD1 3.81Å; M34-F193 HydrophobicContact CE-CD2 4.14Å; M34-F193 HydrophobicContact CE-CE1 3.68Å; M34-F193 HydrophobicContact CE-CE2 4.09Å; M34-F193 HydrophobicContact CE-CG 4.03Å; M34-F193 HydrophobicContact CE-CZ 3.88Å; M34-F193 HydrophobicContact SD-CB 4.06Å; M34-F193 HydrophobicContact SD-CD1 3.56Å; M34-F193 VanDerWaalsContact SD-CD1 3.56Å; M34-F193 HydrophobicContact SD-CD2 4.39Å; M34-F193 HydrophobicContact SD-CE1 4.03Å; M34-F193 HydrophobicContact SD-CG 3.76Å; F40-F193 HydrophobicContact CD2-CE1 4.45Å; F40-F193 AromaticContact CE2-CE1 3.74Å; F40-F193 HydrophobicContact CE2-CE1 3.74Å; F40-F193 AromaticContact CE2-CZ 3.51Å; F40-F193 HydrophobicContact CE2-CZ 3.51Å; F40-F193 AromaticContact CZ-CZ 3.88Å; F40-F193 HydrophobicContact CZ-CZ 3.88Å; K134-F193 HydrophobicContact CD-CD2 4.16Å; K134-F193 HydrophobicContact CD-CE2 4Å; L165-F193 WeakPolarHBondContact O-CD2 3.22Å; L165-F193 PolarHBondContact O-N 2.62Å; V166-F193 CarbonylContact C-O 3.55Å; V166-F193 WeakPolarHBondContact CA-O 3.2Å; V166-F193 HydrophobicContact CG1-CB 4.39Å; V166-F193 HydrophobicContact CG2-CB 4.29Å; C167-F193 PolarHBondContact N-O 3.25Å
194L96.1Very high92.1Very high46 Ų4675.9 Ų75.924%0.24133%0.329CS..EExtended strand (participates in β ladder)trans-99.4117.2179.3-56.5-174.7000109.2C167 P175 E176 V179 V192C167-L194 HydrophobicContact CB-CD2 3.9Å; P175-L194 HydrophobicContact CB-CD1 4.44Å; P175-L194 HydrophobicContact CB-CD2 3.93Å; P175-L194 HydrophobicContact CG-CD2 4.43Å; E176-L194 HydrophobicContact CB-CD1 4.22Å; E176-L194 HydrophobicContact CG-CD1 3.72Å; V179-L194 HydrophobicContact CG2-CD1 4.4Å; V179-L194 HydrophobicContact CG2-CD2 4.37Å; V192-L194 HydrophobicContact CG1-CD2 3.93Å
195V95.1Very high92.2Very high7 Ų775.3 Ų75.34%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-108.1119.2-176.1-175.60000108.9L29 H33 V166 C167 V168 S169L29-V195 HydrophobicContact CB-CG1 4.17Å; H33-V195 HydrophobicContact CB-CB 4.42Å; H33-V195 HydrophobicContact CB-CG1 3.86Å; H33-V195 HydrophobicContact CB-CG2 3.76Å; V166-V195 HydrophobicContact CG1-CG2 3.61Å; C167-V195 PolarHBondContact O-N 3.42Å; V168-V195 CarbonylContact C-O 3.43Å; V168-V195 WeakPolarHBondContact CA-O 3.22Å; V168-V195 HydrophobicContact CG2-CB 4.12Å; V168-V195 HydrophobicContact CG2-CG1 4.47Å; S169-V195 PolarHBondContact N-O 3.4Å; S169-V195 PolarHBondContact OG-O 3.29Å
196R91.2Very high92.2Very high151 Ų15177.7 Ų77.757%0.5734%0.342SS*.  trans-83.7123.8178.2-173.4168.5177.9173.61111.3S169 W198S169-R196 WeakPolarHBondContact OG-CA 3.4Å; R196-W198 HydrophobicContact CG-CD2 4.29Å; R196-W198 HydrophobicContact CG-CZ2 4.37Å
197E90.3Very high92.3Very high18 Ų1877.7 Ų77.78%0.08434%0.343CS..  trans-89.7113.5167.8-176.1171.6-138.100109.5L29 V168 S169 V199L29-E197 HydrophobicContact CD1-CB 3.84Å; L29-E197 HydrophobicContact CD1-CG 3.69Å; L29-E197 WeakPolarHBondContact CD1-OE1 3.31Å; V168-E197 HydrophobicContact CG1-CB 4.14Å; S169-E197 PolarHBondContact OG-N 3.41Å; E197-V199 VanDerWaalsContact CD-O 3.31Å; E197-V199 WeakPolarHBondContact CG-O 3.25Å
198W87.5Confident92.3Very high189 Ų18971.4 Ų71.472%0.71632%0.32SS*.  trans-84.5-31.6179.8-65.899.3000113.2R196R196-W198 HydrophobicContact CG-CD2 4.29Å; R196-W198 HydrophobicContact CG-CZ2 4.37Å
199V87.9Confident92.4Very high107 Ų10770.4 Ų70.465%0.64832%0.315SS*.SBendtrans-95.5105.8178.5-178.80000108E197 N201E197-V199 VanDerWaalsContact CD-O 3.31Å; E197-V199 WeakPolarHBondContact CG-O 3.25Å; V199-N201 PolarHBondContact O-N 3.37Å; V199-N201 VanDerWaalsContact O-N 3.07Å
200R81.3Confident92.5Very high197 Ų19769 Ų6974%0.74331%0.309SS*.  trans-65.9111-176.5-65.3-175.3-176.7169.40.3110.7
201N79.3Confident92.5Very high41 Ų4159.2 Ų59.222%0.21928%0.275CS..  trans-11988.6168.7-178.4-2.4000108.6Q22 V199 T203Q22-N201 WeakPolarHBondContact CG-O 3.48Å; Q22-N201 PolarHBondContact NE2-O 3.26Å; Q22-N201 PolarHBondContact OE1-O 2.83Å; V199-N201 PolarHBondContact O-N 3.37Å; V199-N201 VanDerWaalsContact O-N 3.07Å; N201-T203 VanDerWaalsContact C-N 3.27Å; N201-T203 PolarHBondContact O-N 2.94Å; N201-T203 WeakPolarHBondContact OD1-CB 3.48Å; N201-T203 PolarHBondContact OD1-OG1 3.3Å
202E80.9Confident92.6Very high115 Ų11559 Ų5954%0.53727%0.274SS..  trans-9329.9-173.5-64.6-177.6-17800113.3G171 S204G171-E202 WeakPolarHBondContact CA-OE1 3.2Å; E202-S204 PolarHBondContact O-N 2.82Å
203T87.9Confident92.6Very high19 Ų1962.2 Ų62.212%0.11728%0.284CS..  trans-69.890.6-177.9-53.90000111.9T20 Q22 N201 I208 L221T20-T203 HydrophobicContact CG2-CG2 4.32Å; T20-T203 PolarHBondContact OG1-O 3.27Å; Q22-T203 PolarHBondContact OE1-O 3.13Å; Q22-T203 VanDerWaalsContact OE1-O 3.09Å; N201-T203 VanDerWaalsContact C-N 3.27Å; N201-T203 PolarHBondContact O-N 2.94Å; N201-T203 WeakPolarHBondContact OD1-CB 3.48Å; N201-T203 PolarHBondContact OD1-OG1 3.3Å; T203-I208 HydrophobicContact CG2-CD1 3.77Å; T203-I208 HydrophobicContact CG2-CG1 4.08Å; T203-L221 HydrophobicContact CG2-CB 3.84Å; T203-L221 HydrophobicContact CG2-CD2 4.37Å
204S91.4Very high92.6Very high32 Ų3269.2 Ų69.222%0.22431%0.311CS..  trans-80.7143.9175.591.80000112.1E202 T206 E207 I208E202-S204 PolarHBondContact O-N 2.82Å; S204-T206 PolarHBondContact O-N 2.91Å; S204-T206 PolarHBondContact OG-N 2.87Å; S204-E207 PolarHBondContact O-N 3.28Å; S204-E207 VanDerWaalsContact O-N 3.13Å; S204-E207 WeakPolarHBondContact OG-CG 3.42Å; S204-E207 PolarHBondContact OG-N 2.86Å; S204-I208 PolarHBondContact O-N 3.37Å
205A96.3Very high92.7Very high16 Ų1674.3 Ų74.313%0.13234%0.338CS..Hα-helixtrans-59.1-30.9175.100000112.5N17 P18 T20 I208 R209N17-A205 WeakPolarHBondContact O-CB 3.48Å; P18-A205 WeakPolarHBondContact O-CB 3.35Å; T20-A205 HydrophobicContact CG2-CB 4.4Å; A205-I208 PolarHBondContact O-N 3.08Å; A205-R209 WeakPolarHBondContact O-CG 3.49Å; A205-R209 PolarHBondContact O-N 3.26Å; A205-R209 PolarHBondContact O-NH1 3.43Å
206T95.9Very high92.8Very high53 Ų5379 Ų7933%0.32536%0.36SS..Hα-helixtrans-65.1-40.7176.2-60.80000112.2S204 R209 R210S204-T206 PolarHBondContact O-N 2.91Å; S204-T206 PolarHBondContact OG-N 2.87Å; T206-R209 PolarHBondContact O-N 3.1Å; T206-R209 PolarHBondContact OG1-NH2 3.31Å; T206-R210 WeakPolarHBondContact O-CB 3.25Å; T206-R210 PolarHBondContact O-N 2.85Å
207E96.8Very high93.2Very high91 Ų9176.6 Ų76.643%0.42537%0.366SS..Hα-helixtrans-67.3-37.4174.8-66.7-49.7134.100111.5S204 R210 A211S204-E207 PolarHBondContact O-N 3.28Å; S204-E207 VanDerWaalsContact O-N 3.13Å; S204-E207 WeakPolarHBondContact OG-CG 3.42Å; S204-E207 PolarHBondContact OG-N 2.86Å; E207-R210 PolarHBondContact O-N 3.5Å; E207-R210 IonicContact OE1-CZ 3.36Å; E207-R210 VanDerWaalsContact OE1-CZ 3.29Å; E207-R210 IonicContact OE1-NH1 2.64Å; E207-R210 PolarHBondContact OE1-NH1 3.22Å; E207-R210 IonicContact OE1-NH2 3.76Å; E207-R210 PolarHBondContact OE1-NH2 3.35Å; E207-R210 IonicContact OE2-CZ 2.71Å; E207-R210 IonicContact OE2-NH1 2.72Å; E207-R210 PolarHBondContact OE2-NH1 2.68Å; E207-A211 WeakPolarHBondContact O-CB 3.34Å; E207-A211 PolarHBondContact O-N 3.33Å
208I98.4Very high93.6Very high2 Ų275.9 Ų75.91%0.0136%0.362CS..Hα-helixtrans-58.9-51.2173.8-62.2-59.1000111.2P18 T20 T203 S204 A205 R210 A211 L212 V218 L221 I222P18-I208 HydrophobicContact CG-CB 4.26Å; P18-I208 HydrophobicContact CG-CG2 3.55Å; T20-I208 HydrophobicContact CG2-CG1 3.86Å; T203-I208 HydrophobicContact CG2-CD1 3.77Å; T203-I208 HydrophobicContact CG2-CG1 4.08Å; S204-I208 PolarHBondContact O-N 3.37Å; A205-I208 PolarHBondContact O-N 3.08Å; I208-R210 VanDerWaalsContact C-N 3.27Å; I208-R210 PolarHBondContact O-N 3.21Å; I208-A211 PolarHBondContact O-N 3.48Å; I208-L212 HydrophobicContact CG2-CD1 3.84Å; I208-L212 VanDerWaalsContact O-CG 3.32Å; I208-L212 WeakPolarHBondContact O-CG 3.43Å; I208-L212 PolarHBondContact O-N 3.23Å; I208-V218 HydrophobicContact CD1-CB 4.17Å; I208-V218 HydrophobicContact CD1-CG1 4.08Å; I208-V218 HydrophobicContact CG2-CG1 4.2Å; I208-L221 HydrophobicContact CD1-CB 3.61Å; I208-L221 HydrophobicContact CD1-CD1 3.74Å; I208-L221 HydrophobicContact CD1-CG 4.35Å; I208-I222 HydrophobicContact CD1-CG2 3.95Å; I208-I222 HydrophobicContact CG1-CG2 4.06Å; I208-I222 HydrophobicContact CG2-CD1 4.15Å; I208-I222 HydrophobicContact CG2-CG2 4.36Å
209R98.5Very high94.1Very high11 Ų1171.3 Ų71.34%0.04235%0.348CS..Hα-helixtrans-60.4-38.9178.3-61.2-163.7-54.1-73.6-4.7111.8N17 A205 T206 R213 Y236 E241N17-R209 WeakPolarHBondContact O-CD 3.43Å; N17-R209 PolarHBondContact O-NH1 3.14Å; A205-R209 WeakPolarHBondContact O-CG 3.49Å; A205-R209 PolarHBondContact O-N 3.26Å; A205-R209 PolarHBondContact O-NH1 3.43Å; T206-R209 PolarHBondContact O-N 3.1Å; T206-R209 PolarHBondContact OG1-NH2 3.31Å; R209-R213 WeakPolarHBondContact O-CG 2.99Å; R209-R213 PolarHBondContact O-N 2.85Å; R209-R213 VanDerWaalsContact O-N 3.07Å; R209-R213 PolarHBondContact O-NH1 3.21Å; R209-R213 VanDerWaalsContact O-NH1 3.13Å; R209-Y236 HydrophobicContact CB-CD1 4.17Å; R209-Y236 HydrophobicContact CB-CG 4.4Å; R209-Y236 HydrophobicContact CG-CD1 3.34Å; R209-Y236 HydrophobicContact CG-CE1 3.62Å; R209-Y236 HydrophobicContact CG-CG 3.85Å; R209-E241 WeakPolarHBondContact CD-OE2 3.36Å; R209-E241 IonicContact CZ-OE1 3.59Å; R209-E241 IonicContact CZ-OE2 3.46Å; R209-E241 IonicContact NE-OE1 2.89Å; R209-E241 PolarHBondContact NE-OE1 2.89Å; R209-E241 IonicContact NE-OE2 3.74Å; R209-E241 PolarHBondContact NE-OE2 3.22Å; R209-E241 IonicContact NH2-OE1 2.69Å; R209-E241 PolarHBondContact NH2-OE1 3.29Å; R209-E241 IonicContact NH2-OE2 3.99Å
210R98.3Very high94.5Very high82 Ų8274.8 Ų74.831%0.30935%0.35SS..Hα-helixtrans-66.2-44.1177.6-174.5-174.3-63149.93.9112.3T206 E207 I208 R213 R214T206-R210 WeakPolarHBondContact O-CB 3.25Å; T206-R210 PolarHBondContact O-N 2.85Å; E207-R210 PolarHBondContact O-N 3.5Å; E207-R210 IonicContact OE1-CZ 3.36Å; E207-R210 VanDerWaalsContact OE1-CZ 3.29Å; E207-R210 IonicContact OE1-NH1 2.64Å; E207-R210 PolarHBondContact OE1-NH1 3.22Å; E207-R210 IonicContact OE1-NH2 3.76Å; E207-R210 PolarHBondContact OE1-NH2 3.35Å; E207-R210 IonicContact OE2-CZ 2.71Å; E207-R210 IonicContact OE2-NH1 2.72Å; E207-R210 PolarHBondContact OE2-NH1 2.68Å; I208-R210 VanDerWaalsContact C-N 3.27Å; I208-R210 PolarHBondContact O-N 3.21Å; R210-R213 PolarHBondContact O-N 3.03Å; R210-R214 WeakPolarHBondContact O-CG 3.12Å; R210-R214 PolarHBondContact O-N 3.07Å
211A98.3Very high95.3Very high12 Ų1268.6 Ų68.610%0.09933%0.332CS..Hα-helixtrans-60.7-46.7176.900000110.7E207 I208 R213 R214 D215 Q216 V218E207-A211 WeakPolarHBondContact O-CB 3.34Å; E207-A211 PolarHBondContact O-N 3.33Å; I208-A211 PolarHBondContact O-N 3.48Å; A211-R213 PolarHBondContact O-N 2.87Å; A211-R214 CarbonylContact O-C 3.57Å; A211-R214 WeakPolarHBondContact O-CA 3.47Å; A211-R214 PolarHBondContact O-N 3.39Å; A211-D215 PolarHBondContact O-N 2.71Å; A211-Q216 HydrophobicContact CB-CB 4.02Å; A211-Q216 WeakPolarHBondContact O-CB 3.35Å; A211-Q216 PolarHBondContact O-N 3.48Å; A211-V218 HydrophobicContact CB-CG1 3.65Å
212L98.3Very high96.2Very high26 Ų2666.7 Ų66.714%0.13632%0.321CS..Hα-helixtrans-59.1-45.6176.9-70.5165.1000112.6I208 R214 D215 V218 I230 Y236I208-L212 HydrophobicContact CG2-CD1 3.84Å; I208-L212 VanDerWaalsContact O-CG 3.32Å; I208-L212 WeakPolarHBondContact O-CG 3.43Å; I208-L212 PolarHBondContact O-N 3.23Å; L212-R214 PolarHBondContact O-N 3Å; L212-R214 VanDerWaalsContact O-N 3.15Å; L212-D215 PolarHBondContact O-N 2.71Å; L212-V218 HydrophobicContact CD2-CG1 4.26Å; L212-V218 HydrophobicContact CD2-CG2 3.8Å; L212-V218 HydrophobicContact CG-CG1 4.05Å; L212-V218 HydrophobicContact CG-CG2 4.32Å; L212-I230 HydrophobicContact CD1-CD1 4.1Å; L212-I230 HydrophobicContact CD1-CG2 3.91Å; L212-I230 HydrophobicContact CD2-CG2 4.15Å; L212-Y236 HydrophobicContact CD1-CD2 3.59Å; L212-Y236 HydrophobicContact CD1-CG 4.06Å
213R97.9Very high97Very high79 Ų7962.4 Ų62.430%0.29830%0.304SS..Hα-helixtrans-61.1-22.2174.7-75.8-166.7-59.8-80.511.6114.3R209 R210 A211 Y236 E241R209-R213 WeakPolarHBondContact O-CG 2.99Å; R209-R213 PolarHBondContact O-N 2.85Å; R209-R213 VanDerWaalsContact O-N 3.07Å; R209-R213 PolarHBondContact O-NH1 3.21Å; R209-R213 VanDerWaalsContact O-NH1 3.13Å; R210-R213 PolarHBondContact O-N 3.03Å; A211-R213 PolarHBondContact O-N 2.87Å; R213-Y236 WeakPolarHBondContact CG-O 3.43Å; R213-E241 IonicContact CZ-OE2 3.73Å; R213-E241 IonicContact NH1-OE2 3.46Å; R213-E241 PolarHBondContact NH1-OE2 3.09Å; R213-E241 IonicContact NH2-OE1 3.29Å; R213-E241 IonicContact NH2-OE2 3.55Å
214R97.9Very high97.5Very high160 Ų16065.4 Ų65.460%0.60432%0.319SS*.THydrogen-bonded Turntrans-10111.1-179.8-67.7175.2177.1178.5-3112.4R210 A211 L212 Q216R210-R214 WeakPolarHBondContact O-CG 3.12Å; R210-R214 PolarHBondContact O-N 3.07Å; A211-R214 CarbonylContact O-C 3.57Å; A211-R214 WeakPolarHBondContact O-CA 3.47Å; A211-R214 PolarHBondContact O-N 3.39Å; L212-R214 PolarHBondContact O-N 3Å; L212-R214 VanDerWaalsContact O-N 3.15Å; R214-Q216 HydrophobicContact CB-CG 3.9Å; R214-Q216 PolarHBondContact O-N 2.89Å
215D97.1Very high97.8Very high153 Ų15364.8 Ų64.882%0.81832%0.315SS*.THydrogen-bonded Turntrans54.433.3-176.4-156.132.6000113A211 L212A211-D215 PolarHBondContact O-N 2.71Å; L212-D215 PolarHBondContact O-N 2.71Å
216Q98.4Very high98Very high106 Ų10664 Ų6450%0.49531%0.309SS..  trans-93.1142.7176.8-61.3-177-5500110.1A211 R214 V218A211-Q216 HydrophobicContact CB-CB 4.02Å; A211-Q216 WeakPolarHBondContact O-CB 3.35Å; A211-Q216 PolarHBondContact O-N 3.48Å; R214-Q216 HydrophobicContact CB-CG 3.9Å; R214-Q216 PolarHBondContact O-N 2.89Å; Q216-V218 PolarHBondContact O-N 2.92Å
217S98.1Very high98.1Very high99 Ų9962.7 Ų62.769%0.69230%0.299SS*.  trans-63.2133.1178.2-169.90000111.7K219S217-K219 WeakPolarHBondContact OG-CB 3.18Å; S217-K219 PolarHBondContact OG-N 2.68Å
218V98.4Very high98.2Very high3 Ų364.7 Ų64.72%0.01831%0.308CS..  trans-109.913.3170.1-630000112.2I208 A211 L212 Q216 L221 I222 I227I208-V218 HydrophobicContact CD1-CB 4.17Å; I208-V218 HydrophobicContact CD1-CG1 4.08Å; I208-V218 HydrophobicContact CG2-CG1 4.2Å; A211-V218 HydrophobicContact CB-CG1 3.65Å; L212-V218 HydrophobicContact CD2-CG1 4.26Å; L212-V218 HydrophobicContact CD2-CG2 3.8Å; L212-V218 HydrophobicContact CG-CG1 4.05Å; L212-V218 HydrophobicContact CG-CG2 4.32Å; Q216-V218 PolarHBondContact O-N 2.92Å; V218-L221 WeakPolarHBondContact O-CB 3.46Å; V218-L221 PolarHBondContact O-N 3.34Å; V218-L221 VanDerWaalsContact O-N 3.13Å; V218-I222 HydrophobicContact CG2-CD1 3.94Å; V218-I222 HydrophobicContact CG2-CG1 4.32Å; V218-I227 HydrophobicContact CG2-CD1 4.19Å; V218-I227 HydrophobicContact CG2-CG1 4.06Å
219K98.1Very high98.2Very high93 Ų9365.9 Ų65.940%0.40431%0.313SS..BIsolated β-bridgetrans-57.7140.9177.3-165.7172.9-175171.60110.2S217 L221 I227S217-K219 WeakPolarHBondContact OG-CB 3.18Å; S217-K219 PolarHBondContact OG-N 2.68Å; K219-L221 PolarHBondContact O-N 3.25Å; K219-L221 VanDerWaalsContact O-N 3.14Å; K219-I227 HydrophobicContact CB-CD1 4.38Å
220Y96.9Very high98.2Very high181 Ų18165.5 Ų65.571%0.7131%0.312SS*.THydrogen-bonded Turntrans69.1-5.7-176.3-42.6-68000115.7N21N21-Y220 PolarHBondContact ND2-O 2.96Å
221L97.6Very high98.2Very high66 Ų6667.2 Ų67.235%0.34632%0.323SS..THydrogen-bonded Turntrans-92.1-30.8172.7-56.5-178.6000112.2N21 T203 I208 V218 K219N21-L221 VanDerWaalsContact CB-O 3.28Å; N21-L221 WeakPolarHBondContact CB-O 3.19Å; N21-L221 VanDerWaalsContact CG-O 3.23Å; N21-L221 PolarHBondContact N-O 3.06Å; N21-L221 PolarHBondContact ND2-O 3.27Å; T203-L221 HydrophobicContact CG2-CB 3.84Å; T203-L221 HydrophobicContact CG2-CD2 4.37Å; I208-L221 HydrophobicContact CD1-CB 3.61Å; I208-L221 HydrophobicContact CD1-CD1 3.74Å; I208-L221 HydrophobicContact CD1-CG 4.35Å; V218-L221 WeakPolarHBondContact O-CB 3.46Å; V218-L221 PolarHBondContact O-N 3.34Å; V218-L221 VanDerWaalsContact O-N 3.13Å; K219-L221 PolarHBondContact O-N 3.25Å; K219-L221 VanDerWaalsContact O-N 3.14Å
222I98.2Very high98.2Very high1 Ų173.8 Ų73.81%0.00535%0.352CS..BIsolated β-bridgetrans-135.6161.2173.772.5-174000109.2T20 I208 V218 V226 I227 I230T20-I222 HydrophobicContact CG2-CG2 3.89Å; I208-I222 HydrophobicContact CD1-CG2 3.95Å; I208-I222 HydrophobicContact CG1-CG2 4.06Å; I208-I222 HydrophobicContact CG2-CD1 4.15Å; I208-I222 HydrophobicContact CG2-CG2 4.36Å; V218-I222 HydrophobicContact CG2-CD1 3.94Å; V218-I222 HydrophobicContact CG2-CG1 4.32Å; I222-V226 HydrophobicContact CD1-CB 4.45Å; I222-V226 HydrophobicContact CD1-CG1 3.95Å; I222-V226 HydrophobicContact CG1-CG1 4.45Å; I222-I227 HydrophobicContact CD1-CG1 3.79Å; I222-I227 HydrophobicContact CG1-CD1 4.06Å; I222-I227 HydrophobicContact CG1-CG1 3.49Å; I222-I227 VanDerWaalsContact CG1-CG1 3.49Å; I222-I230 HydrophobicContact CD1-CD1 3.76Å
223P98.3Very high98.3Very high26 Ų2676.2 Ų76.217%0.16936%0.362CS..  trans-62.9145.5179.6-2638.1000113.1N21 M24 A72 S225 V226 I227N21-P223 WeakPolarHBondContact OD1-CD 3.42Å; M24-P223 HydrophobicContact CE-CG 3.63Å; M24-P223 HydrophobicContact SD-CG 4.42Å; A72-P223 HydrophobicContact CB-CG 3.96Å; P223-S225 VanDerWaalsContact C-N 3.26Å; P223-S225 PolarHBondContact O-N 3.14Å; P223-V226 HydrophobicContact CB-CG2 4.12Å; P223-V226 HydrophobicContact CG-CG2 4.24Å; P223-V226 WeakPolarHBondContact O-CA 3.33Å; P223-V226 WeakPolarHBondContact O-CB 3.31Å; P223-V226 PolarHBondContact O-N 2.77Å; P223-I227 PolarHBondContact O-N 2.96Å; P223-I227 VanDerWaalsContact O-N 3.13Å
224D98.6Very high98.2Very high81 Ų8180.1 Ų80.143%0.43338%0.384SS..Hα-helixtrans-57.1-39.1-179.1-70.8-9.8000112V226 I227 E228D224-V226 PolarHBondContact O-N 2.91Å; D224-I227 WeakPolarHBondContact O-CB 3.33Å; D224-I227 PolarHBondContact O-N 3.21Å; D224-E228 WeakPolarHBondContact O-CG 3.18Å; D224-E228 PolarHBondContact O-N 2.93Å
225S98.6Very high98.3Very high20 Ų2073.6 Ų73.614%0.1436%0.361CS..Hα-helixtrans-60.9-31.1174.956.50000113.6L71 P223 Y229L71-S225 PolarHBondContact O-OG 2.88Å; P223-S225 VanDerWaalsContact C-N 3.26Å; P223-S225 PolarHBondContact O-N 3.14Å; S225-Y229 WeakPolarHBondContact O-CB 3.47Å; S225-Y229 PolarHBondContact O-N 2.83Å; S225-Y229 VanDerWaalsContact O-N 3.15Å
226V98.8Very high98.3Very high0 Ų066.4 Ų66.40%032%0.322CS..Hα-helixtrans-75.4-37.7174.8178.60000110.6I19 M68 L71 A72 I222 P223 D224 Y229 I230I19-V226 HydrophobicContact CG2-CG2 4.35Å; M68-V226 HydrophobicContact CB-CG1 4Å; M68-V226 HydrophobicContact CB-CG2 4.5Å; M68-V226 HydrophobicContact CG-CG1 3.91Å; M68-V226 WeakPolarHBondContact O-CG2 3.22Å; M68-V226 HydrophobicContact SD-CG1 3.93Å; L71-V226 HydrophobicContact CB-CG2 4.26Å; A72-V226 HydrophobicContact CB-CG2 3.89Å; I222-V226 HydrophobicContact CD1-CB 4.45Å; I222-V226 HydrophobicContact CD1-CG1 3.95Å; I222-V226 HydrophobicContact CG1-CG1 4.45Å; P223-V226 HydrophobicContact CB-CG2 4.12Å; P223-V226 HydrophobicContact CG-CG2 4.24Å; P223-V226 WeakPolarHBondContact O-CA 3.33Å; P223-V226 WeakPolarHBondContact O-CB 3.31Å; P223-V226 PolarHBondContact O-N 2.77Å; D224-V226 PolarHBondContact O-N 2.91Å; V226-Y229 PolarHBondContact O-N 2.86Å; V226-I230 HydrophobicContact CG1-CD1 3.91Å; V226-I230 HydrophobicContact CG1-CG1 4.45Å; V226-I230 WeakPolarHBondContact O-CB 3.47Å; V226-I230 VanDerWaalsContact O-CG1 3.22Å; V226-I230 WeakPolarHBondContact O-CG1 3.38Å; V226-I230 PolarHBondContact O-N 3.22Å
227I98.8Very high98.3Very high24 Ų2464.2 Ų64.212%0.12332%0.316CS..Hα-helixtrans-61.9-49.4175.5-59.5175.4000109.9V218 K219 I222 P223 D224 Y229 I230 H231V218-I227 HydrophobicContact CG2-CD1 4.19Å; V218-I227 HydrophobicContact CG2-CG1 4.06Å; K219-I227 HydrophobicContact CB-CD1 4.38Å; I222-I227 HydrophobicContact CD1-CG1 3.79Å; I222-I227 HydrophobicContact CG1-CD1 4.06Å; I222-I227 HydrophobicContact CG1-CG1 3.49Å; I222-I227 VanDerWaalsContact CG1-CG1 3.49Å; P223-I227 PolarHBondContact O-N 2.96Å; P223-I227 VanDerWaalsContact O-N 3.13Å; D224-I227 WeakPolarHBondContact O-CB 3.33Å; D224-I227 PolarHBondContact O-N 3.21Å; I227-Y229 VanDerWaalsContact C-N 3.32Å; I227-Y229 PolarHBondContact O-N 3.2Å; I227-I230 PolarHBondContact O-N 2.88Å; I227-H231 PolarHBondContact O-CD2 3.5Å; I227-H231 PolarHBondContact O-N 3.42Å
228E98.8Very high98.2Very high133 Ų13365.6 Ų65.662%0.62131%0.311SS*.Hα-helixtrans-56-46.8176.3-71.3169.4-173.600111.5D224 I230 H231 Q232D224-E228 WeakPolarHBondContact O-CG 3.18Å; D224-E228 PolarHBondContact O-N 2.93Å; E228-I230 PolarHBondContact O-N 2.69Å; E228-H231 PolarHBondContact O-N 3.47Å; E228-Q232 WeakPolarHBondContact O-CB 3.47Å; E228-Q232 PolarHBondContact O-N 3.47Å
229Y98.8Very high98.1Very high28 Ų2871.4 Ų71.411%0.1134%0.342CS..Hα-helixtrans-60.6-43.6176.9-174.2-87.5000112.6H64 S67 M68 L71 S225 V226 I227 H231 Q232 H233 L235H64-Y229 HydrophobicContact CB-CE1 4.11Å; H64-Y229 AromaticContact ND1-CE1 3.71Å; H64-Y229 AromaticContact ND1-CZ 3.7Å; H64-Y229 PolarHBondContact ND1-OH 2.85Å; S67-Y229 VanDerWaalsContact CB-CZ 3.45Å; S67-Y229 WeakPolarHBondContact CB-OH 3.3Å; S67-Y229 PolarHBondContact OG-OH 2.8Å; M68-Y229 HydrophobicContact CG-CD1 3.4Å; M68-Y229 HydrophobicContact CG-CE1 3.83Å; M68-Y229 HydrophobicContact CG-CG 4.18Å; M68-Y229 HydrophobicContact SD-CD1 4.12Å; L71-Y229 HydrophobicContact CD1-CD2 3.64Å; L71-Y229 HydrophobicContact CD1-CG 3.83Å; S225-Y229 WeakPolarHBondContact O-CB 3.47Å; S225-Y229 PolarHBondContact O-N 2.83Å; S225-Y229 VanDerWaalsContact O-N 3.15Å; V226-Y229 PolarHBondContact O-N 2.86Å; I227-Y229 VanDerWaalsContact C-N 3.32Å; I227-Y229 PolarHBondContact O-N 3.2Å; Y229-H231 VanDerWaalsContact C-N 3.35Å; Y229-H231 PolarHBondContact O-N 2.96Å; Y229-Q232 PolarHBondContact O-N 3.47Å; Y229-H233 AromaticContact CD1-CD2 3.89Å; Y229-H233 AromaticContact CD2-CD2 3.58Å; Y229-H233 AromaticContact CD2-NE2 3.79Å; Y229-H233 AromaticContact CE1-CD2 3.65Å; Y229-H233 AromaticContact CE2-CD2 3.33Å; Y229-H233 WeakPolarHBondContact CE2-CD2 3.3Å; Y229-H233 AromaticContact CE2-NE2 3.27Å; Y229-H233 VanDerWaalsContact CE2-NE2 3.27Å; Y229-H233 WeakPolarHBondContact CE2-NE2 3.22Å; Y229-H233 AromaticContact CG-CD2 3.85Å; Y229-H233 AromaticContact CZ-CD2 3.34Å; Y229-H233 AromaticContact CZ-NE2 3.58Å; Y229-H233 WeakPolarHBondContact O-CB 3.46Å; Y229-H233 PolarHBondContact O-CD2 3.05Å; Y229-H233 VanDerWaalsContact O-CD2 3.28Å; Y229-H233 PolarHBondContact O-N 3.46Å; Y229-H233 VanDerWaalsContact O-N 3.1Å; Y229-L235 HydrophobicContact CD1-CD1 4.07Å; Y229-L235 HydrophobicContact CE1-CD1 3.81Å
230I98.8Very high98Very high2 Ų268 Ų681%0.0133%0.331CS..Hα-helixtrans-59.9-45.9178.3-75.2166.8000110.8P18 M68 L212 I222 V226 I227 E228 E234 L235 Y236P18-I230 HydrophobicContact CB-CD1 4.32Å; P18-I230 HydrophobicContact CG-CD1 4.28Å; M68-I230 HydrophobicContact SD-CD1 3.95Å; M68-I230 HydrophobicContact SD-CG1 3.56Å; M68-I230 VanDerWaalsContact SD-CG1 3.56Å; L212-I230 HydrophobicContact CD1-CD1 4.1Å; L212-I230 HydrophobicContact CD1-CG2 3.91Å; L212-I230 HydrophobicContact CD2-CG2 4.15Å; I222-I230 HydrophobicContact CD1-CD1 3.76Å; V226-I230 HydrophobicContact CG1-CD1 3.91Å; V226-I230 HydrophobicContact CG1-CG1 4.45Å; V226-I230 WeakPolarHBondContact O-CB 3.47Å; V226-I230 VanDerWaalsContact O-CG1 3.22Å; V226-I230 WeakPolarHBondContact O-CG1 3.38Å; V226-I230 PolarHBondContact O-N 3.22Å; I227-I230 PolarHBondContact O-N 2.88Å; E228-I230 PolarHBondContact O-N 2.69Å; I230-E234 PolarHBondContact O-N 3.28Å; I230-E234 VanDerWaalsContact O-N 3.07Å; I230-L235 HydrophobicContact CG2-CB 4.3Å; I230-L235 PolarHBondContact O-N 2.98Å; I230-Y236 HydrophobicContact CD1-CD2 3.9Å; I230-Y236 HydrophobicContact CD1-CE2 3.69Å; I230-Y236 HydrophobicContact CG1-CD2 3.97Å; I230-Y236 HydrophobicContact CG1-CE2 3.79Å; I230-Y236 HydrophobicContact CG2-CD2 3.94Å
231H98.3Very high98.1Very high119 Ų11961 Ų6155%0.55130%0.304SS*.Hα-helixtrans-67.8-44.4178.8-71.6-62.7000112.2I227 E228 Y229 H233 E234I227-H231 PolarHBondContact O-CD2 3.5Å; I227-H231 PolarHBondContact O-N 3.42Å; E228-H231 PolarHBondContact O-N 3.47Å; Y229-H231 VanDerWaalsContact C-N 3.35Å; Y229-H231 PolarHBondContact O-N 2.96Å; H231-H233 PolarHBondContact O-N 3.46Å; H231-E234 PolarHBondContact O-N 2.93Å
232Q98.6Very high98Very high150 Ų15064.5 Ų64.570%0.70131%0.313SS*.Hα-helixtrans-60.1-31.7179.5-176.9179.22.600112.8E228 Y229E228-Q232 WeakPolarHBondContact O-CB 3.47Å; E228-Q232 PolarHBondContact O-N 3.47Å; Y229-Q232 PolarHBondContact O-N 3.47Å
233H98.6Very high98Very high76 Ų7668.3 Ų68.335%0.35233%0.327SS..THydrogen-bonded Turntrans-1069.1-177.4-69.8-71.1000114Y229 H231 L235Y229-H233 AromaticContact CD1-CD2 3.89Å; Y229-H233 AromaticContact CD2-CD2 3.58Å; Y229-H233 AromaticContact CD2-NE2 3.79Å; Y229-H233 AromaticContact CE1-CD2 3.65Å; Y229-H233 AromaticContact CE2-CD2 3.33Å; Y229-H233 WeakPolarHBondContact CE2-CD2 3.3Å; Y229-H233 AromaticContact CE2-NE2 3.27Å; Y229-H233 VanDerWaalsContact CE2-NE2 3.27Å; Y229-H233 WeakPolarHBondContact CE2-NE2 3.22Å; Y229-H233 AromaticContact CG-CD2 3.85Å; Y229-H233 AromaticContact CZ-CD2 3.34Å; Y229-H233 AromaticContact CZ-NE2 3.58Å; Y229-H233 WeakPolarHBondContact O-CB 3.46Å; Y229-H233 PolarHBondContact O-CD2 3.05Å; Y229-H233 VanDerWaalsContact O-CD2 3.28Å; Y229-H233 PolarHBondContact O-N 3.46Å; Y229-H233 VanDerWaalsContact O-N 3.1Å; H231-H233 PolarHBondContact O-N 3.46Å; H233-L235 HydrophobicContact CB-CD1 4.16Å; H233-L235 HydrophobicContact CB-CD2 4.25Å; H233-L235 HydrophobicContact CB-CG 3.83Å; H233-L235 PolarHBondContact O-N 3.45Å
234E97.7Very high97.8Very high162 Ų16269.1 Ų69.176%0.75733%0.33SS*.THydrogen-bonded Turntrans49.942.7178.5-58.1-179.1157.300112.9I230 H231 T237I230-E234 PolarHBondContact O-N 3.28Å; I230-E234 VanDerWaalsContact O-N 3.07Å; H231-E234 PolarHBondContact O-N 2.93Å; E234-T237 WeakPolarHBondContact O-CG2 3.24Å
235L98.3Very high97.7Very high23 Ų2370.6 Ų70.612%0.1233%0.334CS..  trans-82.3156.1-177.9-58.7177.6000111.3H64 M68 Y229 I230 H233H64-L235 HydrophobicContact CB-CD1 3.82Å; H64-L235 HydrophobicContact CB-CD2 4.48Å; M68-L235 HydrophobicContact CE-CD1 4.1Å; M68-L235 HydrophobicContact SD-CD1 4.26Å; Y229-L235 HydrophobicContact CD1-CD1 4.07Å; Y229-L235 HydrophobicContact CE1-CD1 3.81Å; I230-L235 HydrophobicContact CG2-CB 4.3Å; I230-L235 PolarHBondContact O-N 2.98Å; H233-L235 HydrophobicContact CB-CD1 4.16Å; H233-L235 HydrophobicContact CB-CD2 4.25Å; H233-L235 HydrophobicContact CB-CG 3.83Å; H233-L235 PolarHBondContact O-N 3.45Å
236Y98.2Very high97.5Very high2 Ų273.6 Ų73.61%0.00837%0.369CS..SBendtrans69.243174.1-52.3-55.2000115.3N17 P18 V60 M68 R209 L212 R213 I230 S240N17-Y236 WeakPolarHBondContact CA-OH 3.44Å; N17-Y236 VanDerWaalsContact OD1-CE1 3.27Å; N17-Y236 WeakPolarHBondContact OD1-CE1 3.27Å; N17-Y236 PolarHBondContact OD1-OH 3.39Å; N17-Y236 VanDerWaalsContact OD1-OH 3.05Å; P18-Y236 WeakPolarHBondContact CA-OH 3.2Å; P18-Y236 HydrophobicContact CB-CE2 3.76Å; P18-Y236 VanDerWaalsContact CB-OH 3.31Å; P18-Y236 WeakPolarHBondContact CB-OH 3.47Å; P18-Y236 VanDerWaalsContact CD-CZ 3.5Å; P18-Y236 WeakPolarHBondContact CD-OH 3.46Å; P18-Y236 HydrophobicContact CG-CE2 3.76Å; V60-Y236 HydrophobicContact CG1-CD1 3.92Å; V60-Y236 HydrophobicContact CG1-CE1 3.56Å; V60-Y236 HydrophobicContact CG2-CE1 4.29Å; M68-Y236 HydrophobicContact CE-CE2 4.16Å; M68-Y236 WeakPolarHBondContact CE-OH 3.39Å; M68-Y236 HydrophobicContact SD-CE2 4.11Å; R209-Y236 HydrophobicContact CB-CD1 4.17Å; R209-Y236 HydrophobicContact CB-CG 4.4Å; R209-Y236 HydrophobicContact CG-CD1 3.34Å; R209-Y236 HydrophobicContact CG-CE1 3.62Å; R209-Y236 HydrophobicContact CG-CG 3.85Å; L212-Y236 HydrophobicContact CD1-CD2 3.59Å; L212-Y236 HydrophobicContact CD1-CG 4.06Å; R213-Y236 WeakPolarHBondContact CG-O 3.43Å; I230-Y236 HydrophobicContact CD1-CD2 3.9Å; I230-Y236 HydrophobicContact CD1-CE2 3.69Å; I230-Y236 HydrophobicContact CG1-CD2 3.97Å; I230-Y236 HydrophobicContact CG1-CE2 3.79Å; I230-Y236 HydrophobicContact CG2-CD2 3.94Å; Y236-S240 WeakPolarHBondContact CA-OG 3.18Å; Y236-S240 PolarHBondContact N-OG 2.89Å
237T97.5Very high97.2Very high59 Ų5977.2 Ų77.236%0.36239%0.391SS..  trans-84.4175.1169.364.50000112.8E234 D239 S240 E241E234-T237 WeakPolarHBondContact O-CG2 3.24Å; T237-D239 VanDerWaalsContact C-N 3.33Å; T237-D239 PolarHBondContact O-N 3.05Å; T237-S240 PolarHBondContact N-OG 3.47Å; T237-S240 PolarHBondContact O-N 2.83Å; T237-S240 PolarHBondContact O-OG 3.21Å; T237-S240 PolarHBondContact OG1-N 2.85Å; T237-E241 PolarHBondContact O-N 3.41Å
238E96.6Very high97Very high128 Ų12878.5 Ų78.560%0.59841%0.405SS*.Hα-helixtrans-55-46.8170.3-67.8-164.1170.400112.3S240 E241 R242E238-S240 VanDerWaalsContact C-N 3.3Å; E238-S240 PolarHBondContact O-N 3.48Å; E238-E241 PolarHBondContact O-N 2.92Å; E238-E241 VanDerWaalsContact O-N 3.11Å; E238-R242 PolarHBondContact O-N 3.26Å; E238-R242 VanDerWaalsContact O-N 3.16Å; E238-R242 IonicContact OE2-NH2 2.71Å
239D96.6Very high96.8Very high125 Ų12574.3 Ų74.367%0.66839%0.386SS*.Hα-helixtrans-60.2-42.1179.4-68-24.6000111.8T237 E241 R242 R243T237-D239 VanDerWaalsContact C-N 3.33Å; T237-D239 PolarHBondContact O-N 3.05Å; D239-E241 VanDerWaalsContact C-N 3.27Å; D239-E241 PolarHBondContact O-N 3Å; D239-R242 PolarHBondContact O-N 2.6Å; D239-R243 PolarHBondContact O-N 3.26Å
240S96.3Very high96.6Very high23 Ų2376.8 Ų76.816%0.16140%0.396CS..Hα-helixtrans-64.3-32.8178.3780000112.5G58 Y236 T237 E238 R243G58-S240 VanDerWaalsContact CA-O 3.3Å; G58-S240 WeakPolarHBondContact CA-O 3.39Å; Y236-S240 WeakPolarHBondContact CA-OG 3.18Å; Y236-S240 PolarHBondContact N-OG 2.89Å; T237-S240 PolarHBondContact N-OG 3.47Å; T237-S240 PolarHBondContact O-N 2.83Å; T237-S240 PolarHBondContact O-OG 3.21Å; T237-S240 PolarHBondContact OG1-N 2.85Å; E238-S240 VanDerWaalsContact C-N 3.3Å; E238-S240 PolarHBondContact O-N 3.48Å; S240-R243 WeakPolarHBondContact O-CB 3.35Å; S240-R243 PolarHBondContact O-N 3.21Å
241E97.5Very high96.4Very high33 Ų3376.8 Ų76.815%0.15440%0.396CS..Hα-helixtrans-75.4-27.5178.5-162.771.8-159.700112.2Q57 G58 R209 R213 T237 E238 D239 R243Q57-E241 WeakPolarHBondContact CG-O 3.47Å; G58-E241 PolarHBondContact N-O 3.48Å; R209-E241 WeakPolarHBondContact CD-OE2 3.36Å; R209-E241 IonicContact CZ-OE1 3.59Å; R209-E241 IonicContact CZ-OE2 3.46Å; R209-E241 IonicContact NE-OE1 2.89Å; R209-E241 PolarHBondContact NE-OE1 2.89Å; R209-E241 IonicContact NE-OE2 3.74Å; R209-E241 PolarHBondContact NE-OE2 3.22Å; R209-E241 IonicContact NH2-OE1 2.69Å; R209-E241 PolarHBondContact NH2-OE1 3.29Å; R209-E241 IonicContact NH2-OE2 3.99Å; R213-E241 IonicContact CZ-OE2 3.73Å; R213-E241 IonicContact NH1-OE2 3.46Å; R213-E241 PolarHBondContact NH1-OE2 3.09Å; R213-E241 IonicContact NH2-OE1 3.29Å; R213-E241 IonicContact NH2-OE2 3.55Å; T237-E241 PolarHBondContact O-N 3.41Å; E238-E241 PolarHBondContact O-N 2.92Å; E238-E241 VanDerWaalsContact O-N 3.11Å; D239-E241 VanDerWaalsContact C-N 3.27Å; D239-E241 PolarHBondContact O-N 3Å; E241-R243 VanDerWaalsContact C-N 3.29Å
242R97Very high96.2Very high140 Ų14074.2 Ų74.253%0.52839%0.386SS..Hα-helixtrans-79.2-9.2174.1-66-173.9-169.5162.48.6113.6E238 D239 N244 E245E238-R242 PolarHBondContact O-N 3.26Å; E238-R242 VanDerWaalsContact O-N 3.16Å; E238-R242 IonicContact OE2-NH2 2.71Å; D239-R242 PolarHBondContact O-N 2.6Å; R242-N244 PolarHBondContact O-N 3.43Å; R242-E245 WeakPolarHBondContact O-CB 3.45Å; R242-E245 PolarHBondContact O-N 3.24Å
243R96.6Very high95.9Very high81 Ų8169.7 Ų69.731%0.30637%0.366SS..THydrogen-bonded Turntrans-57.4132174.9-175.9172.5165178.5-8.9110.3D52 Q57 G58 L59 P61 D239 S240 E241 E245D52-R243 IonicContact OD2-NH2 3.09Å; Q57-R243 CarbonylContact C-O 3.54Å; Q57-R243 VanDerWaalsContact CA-O 3.3Å; Q57-R243 WeakPolarHBondContact CA-O 3.39Å; G58-R243 PolarHBondContact N-O 3.05Å; L59-R243 VanDerWaalsContact O-CD 3.3Å; L59-R243 WeakPolarHBondContact O-CD 3.41Å; L59-R243 PolarHBondContact O-NE 3.13Å; P61-R243 VanDerWaalsContact CG-NH1 3.25Å; D239-R243 PolarHBondContact O-N 3.26Å; S240-R243 WeakPolarHBondContact O-CB 3.35Å; S240-R243 PolarHBondContact O-N 3.21Å; E241-R243 VanDerWaalsContact C-N 3.29Å; R243-E245 PolarHBondContact O-N 3.07Å
244N95.7Very high95.4Very high42 Ų4269.1 Ų69.123%0.22536%0.362CS..THydrogen-bonded Turntrans61.218-174.6-46.6-39.3000114.5G55 K56 R242 G246 T247G55-N244 WeakPolarHBondContact O-CB 3.4Å; K56-N244 PolarHBondContact O-ND2 3.3Å; R242-N244 PolarHBondContact O-N 3.43Å; N244-G246 PolarHBondContact O-N 2.9Å; N244-T247 VanDerWaalsContact O-CB 3.27Å; N244-T247 WeakPolarHBondContact O-CB 3.22Å; N244-T247 PolarHBondContact O-N 2.72Å; N244-T247 PolarHBondContact O-OG1 3.01Å
245E95.8Very high94.7Very high113 Ų11362.5 Ų62.553%0.52833%0.331SS..THydrogen-bonded Turntrans-57.3136.2171.8-176.9166.4-135.400110.5R242 R243 T247R242-E245 WeakPolarHBondContact O-CB 3.45Å; R242-E245 PolarHBondContact O-N 3.24Å; R243-E245 PolarHBondContact O-N 3.07Å; E245-T247 PolarHBondContact O-N 3.47Å; E245-T247 VanDerWaalsContact O-N 3.15Å
246G93.3Very high93.8Very high83 Ų8365.3 Ų65.386%0.85636%0.358SS*.THydrogen-bonded Turntrans71.2-2-17500000115.5N244N244-G246 PolarHBondContact O-N 2.9Å
247T93.7Very high92.3Very high76 Ų7672.6 Ų72.647%0.46639%0.392SS..PPolyproline II helixtrans-87.2129.4177.2-53.70000110.3N244 E245N244-T247 VanDerWaalsContact O-CB 3.27Å; N244-T247 WeakPolarHBondContact O-CB 3.22Å; N244-T247 PolarHBondContact O-N 2.72Å; N244-T247 PolarHBondContact O-OG1 3.01Å; E245-T247 PolarHBondContact O-N 3.47Å; E245-T247 VanDerWaalsContact O-N 3.15Å
248A93.6Very high90.5Very high50 Ų5074 Ų7441%0.41339%0.394SS..PPolyproline II helixtrans-68.9144.7172.900000110.9R250 I253A248-R250 PolarHBondContact O-N 3.12Å; A248-I253 HydrophobicContact CB-CD1 4.02Å; A248-I253 HydrophobicContact CB-CG1 3.83Å; A248-I253 WeakPolarHBondContact O-CD1 3.5Å
249L95.3Very high88.1Confident46 Ų4673.6 Ų73.624%0.24140%0.402CS..PPolyproline II helixtrans-58.5138.1176.4-69.9177.1000110.6Y54 K56 L150 P251 L252 I253Y54-L249 HydrophobicContact CE1-CD2 4.2Å; Y54-L249 HydrophobicContact CE2-CD2 4.39Å; K56-L249 HydrophobicContact CB-CD2 3.83Å; K56-L249 HydrophobicContact CG-CD2 4.27Å; L150-L249 HydrophobicContact CD1-CD1 4.36Å; L249-P251 VanDerWaalsContact C-N 3.35Å; L249-L252 HydrophobicContact CB-CD1 4.11Å; L249-L252 HydrophobicContact CB-CG 4.26Å; L249-L252 WeakPolarHBondContact O-CB 3.34Å; L249-L252 PolarHBondContact O-N 3.34Å; L249-I253 PolarHBondContact O-N 2.94Å
250R95Very high85.9Confident80 Ų8075.2 Ų75.230%0.30241%0.409SS..Hα-helixtrans-53.8-40-177.3-170.357.6174.9157.84.7114.7G53 Y54 D90 W91 A248 L252 I253 K254G53-R250 WeakPolarHBondContact O-CB 3.47Å; G53-R250 WeakPolarHBondContact O-CG 3.48Å; Y54-R250 PolarHBondContact O-N 2.97Å; D90-R250 IonicContact OD1-CZ 2.6Å; D90-R250 IonicContact OD1-NE 2.76Å; D90-R250 PolarHBondContact OD1-NE 3.25Å; D90-R250 IonicContact OD1-NH2 3.3Å; D90-R250 IonicContact OD2-CZ 3.76Å; D90-R250 IonicContact OD2-NE 3.89Å; D90-R250 PolarHBondContact OD2-NE 3.26Å; D90-R250 VanDerWaalsContact OD2-NE 3.16Å; D90-R250 IonicContact OD2-NH2 3.47Å; D90-R250 PolarHBondContact OD2-NH2 2.6Å; W91-R250 HydrophobicContact CB-CB 3.9Å; W91-R250 HydrophobicContact CB-CG 3.53Å; W91-R250 HydrophobicContact CD2-CB 4.47Å; W91-R250 HydrophobicContact CD2-CG 4.43Å; W91-R250 HydrophobicContact CE3-CG 4.19Å; W91-R250 HydrophobicContact CG-CB 4.23Å; W91-R250 HydrophobicContact CG-CG 4.21Å; A248-R250 PolarHBondContact O-N 3.12Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-L252 PolarHBondContact O-N 2.92Å; R250-I253 PolarHBondContact O-N 3.42Å; R250-K254 WeakPolarHBondContact O-CB 3.34Å; R250-K254 PolarHBondContact O-N 2.91Å
251P94.3Very high83.5Confident2 Ų282.4 Ų82.41%0.01344%0.438CS..Hα-helixtrans-56.2-43.9172.6-93.1000113.9Y54 W91 L150 L249 I253 K254 Q255Y54-P251 HydrophobicContact CD2-CG 4.19Å; Y54-P251 HydrophobicContact CE2-CG 3.69Å; W91-P251 HydrophobicContact CD2-CG 4.18Å; W91-P251 HydrophobicContact CE3-CB 4.41Å; W91-P251 HydrophobicContact CE3-CG 4.31Å; W91-P251 HydrophobicContact CH2-CB 3.45Å; W91-P251 VanDerWaalsContact CH2-CB 3.45Å; W91-P251 HydrophobicContact CH2-CG 3.67Å; W91-P251 HydrophobicContact CZ2-CB 3.87Å; W91-P251 HydrophobicContact CZ2-CG 3.54Å; W91-P251 HydrophobicContact CZ3-CB 3.77Å; W91-P251 HydrophobicContact CZ3-CG 4.07Å; L150-P251 HydrophobicContact CD1-CB 4.01Å; L150-P251 HydrophobicContact CD1-CG 3.9Å; L249-P251 VanDerWaalsContact C-N 3.35Å; P251-I253 VanDerWaalsContact C-N 3.31Å; P251-I253 PolarHBondContact O-N 3.49Å; P251-K254 PolarHBondContact O-N 3.07Å; P251-Q255 WeakPolarHBondContact O-CB 3.41Å; P251-Q255 VanDerWaalsContact O-CG 3.26Å; P251-Q255 WeakPolarHBondContact O-CG 3.36Å; P251-Q255 PolarHBondContact O-N 2.93Å
252L93.6Very high80.7Confident65 Ų6585 Ų8534%0.3446%0.459SS..Hα-helixtrans-62.6-41.7179.9-61.1173.3000110.9G149 L150 L249 R250 A256G149-L252 WeakPolarHBondContact O-CA 3.33Å; G149-L252 WeakPolarHBondContact O-CD2 3.21Å; L150-L252 HydrophobicContact CB-CD2 4.31Å; L249-L252 HydrophobicContact CB-CD1 4.11Å; L249-L252 HydrophobicContact CB-CG 4.26Å; L249-L252 WeakPolarHBondContact O-CB 3.34Å; L249-L252 PolarHBondContact O-N 3.34Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-L252 PolarHBondContact O-N 2.92Å; L252-A256 WeakPolarHBondContact O-CB 3.46Å; L252-A256 PolarHBondContact O-N 3.29Å
253I92.5Very high78.2Confident55 Ų5586.7 Ų86.728%0.28248%0.478SS..Hα-helixtrans-65.9-48.9177-59.2172.2000110.1A248 L249 R250 P251 Q255 A256 H257A248-I253 HydrophobicContact CB-CD1 4.02Å; A248-I253 HydrophobicContact CB-CG1 3.83Å; A248-I253 WeakPolarHBondContact O-CD1 3.5Å; L249-I253 PolarHBondContact O-N 2.94Å; R250-I253 PolarHBondContact O-N 3.42Å; P251-I253 VanDerWaalsContact C-N 3.31Å; P251-I253 PolarHBondContact O-N 3.49Å; I253-Q255 PolarHBondContact O-N 3.39Å; I253-A256 PolarHBondContact O-N 3.46Å; I253-H257 PolarHBondContact O-ND1 3.44Å
254K89.3Confident75.8Confident64 Ų6489.6 Ų89.628%0.27850%0.5SS..Hα-helixtrans-65.6-38.7-174.5-165.8178.1-176.5-174.60112.1W91 E93 R250 P251 H257W91-K254 HydrophobicContact CE3-CD 4.19Å; W91-K254 HydrophobicContact CZ3-CD 4.08Å; E93-K254 WeakPolarHBondContact OE1-CD 3.44Å; E93-K254 WeakPolarHBondContact OE1-CE 3.33Å; E93-K254 IonicContact OE1-NZ 2.69Å; E93-K254 PolarHBondContact OE1-NZ 3.08Å; E93-K254 IonicContact OE2-NZ 3.52Å; E93-K254 PolarHBondContact OE2-NZ 3.33Å; R250-K254 WeakPolarHBondContact O-CB 3.34Å; R250-K254 PolarHBondContact O-N 2.91Å; P251-K254 PolarHBondContact O-N 3.07Å; K254-H257 PolarHBondContact O-N 3.49Å
255Q83Confident72.9Confident23 Ų2399.3 Ų99.311%0.10755%0.552CS.*Hα-helixtrans-76.7-31.8-178-67.1176.33300112.6G149 L150 W151 L152 P251 I253 H257 Q258G149-Q255 PolarHBondContact O-OE1 3.47Å; L150-Q255 PolarHBondContact O-NE2 3.24Å; W151-Q255 PolarHBondContact O-OE1 3.19Å; L152-Q255 HydrophobicContact CD2-CB 4.32Å; L152-Q255 HydrophobicContact CD2-CG 3.78Å; L152-Q255 HydrophobicContact CG-CG 3.94Å; P251-Q255 WeakPolarHBondContact O-CB 3.41Å; P251-Q255 VanDerWaalsContact O-CG 3.26Å; P251-Q255 WeakPolarHBondContact O-CG 3.36Å; P251-Q255 PolarHBondContact O-N 2.93Å; I253-Q255 PolarHBondContact O-N 3.39Å; Q255-H257 PolarHBondContact O-N 3.37Å; Q255-Q258 PolarHBondContact O-N 2.9Å
256A79.3Confident71.8Confident82 Ų8298.6 Ų98.668%0.67855%0.553SS**Hα-helixtrans-62.6-21.317400000113.8L252 I253L252-A256 WeakPolarHBondContact O-CB 3.46Å; L252-A256 PolarHBondContact O-N 3.29Å; I253-A256 PolarHBondContact O-N 3.46Å
257H66.7Low70.6Confident155 Ų15599.4 Ų99.472%0.71854%0.537SS*.THydrogen-bonded Turntrans-98.40.2-180-65.981000113.5I253 K254 Q255I253-H257 PolarHBondContact O-ND1 3.44Å; K254-H257 PolarHBondContact O-N 3.49Å; Q255-H257 PolarHBondContact O-N 3.37Å
258Q59.6Low69.4Low88 Ų88100.7 Ų100.741%0.41154%0.541SS..SBendtrans-82.1130.6170.5-71.5-170.4-11.600108.9L152 Q255 I260L152-Q258 VanDerWaalsContact CD1-OE1 3.22Å; Q255-Q258 PolarHBondContact O-N 2.9Å; Q258-I260 PolarHBondContact O-N 2.84Å
259P45.9Very low67.9Low119 Ų119103.7 Ų103.777%0.77355%0.548SS*.  trans-57.8128.9178.122.5-30.7000108.9K261P259-K261 PolarHBondContact O-N 3.37Å
260I50.3Low66.2Low159 Ų159107.3 Ų107.382%0.81557%0.567SS**  trans-52.9112.4167-59.9171.1000105.2Q258 S262Q258-I260 PolarHBondContact O-N 2.84Å; I260-S262 VanDerWaalsContact C-N 3.27Å; I260-S262 PolarHBondContact O-N 3.36Å
261K46.1Very low64.3Low175 Ų175109.1 Ų109.176%0.76159%0.585SS**  trans-62103160.9-76-179.4-179.4171.80104.2P259 L263P259-K261 PolarHBondContact O-N 3.37Å; K261-L263 PolarHBondContact O-N 2.77Å
262S38Very low62.2Low87 Ų87116.8 Ų116.861%0.60863%0.626SS**  trans-53.7118.2172.151.80000106.8I260 D264I260-S262 VanDerWaalsContact C-N 3.27Å; I260-S262 PolarHBondContact O-N 3.36Å; S262-D264 PolarHBondContact O-N 3.22Å
263L45.3Very low59.8Low176 Ų176120.8 Ų120.892%0.92165%0.648SS**  trans-71.378.6161.2-77.5159.5000106.3K261K261-L263 PolarHBondContact O-N 2.77Å
264D45Very low57Low141 Ų141126.3 Ų126.375%0.75468%0.678SS**  trans-123.687.4160.1-78.8-33.1000106.1S262S262-D264 PolarHBondContact O-N 3.22Å
265D36.1Very low54.1Low246 Ų246131.9 Ų131.9100%1.31672%0.715SS**  trans-140.50150.7-91-24.9000107.3

Retrieved 265 of 265 residues in 110.4 ms (Link to these results)

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