A0A3B3TUD0_9TELE Loading...

Bifunctional purine biosynthesis protein ATIC

Bifunctional enzyme that catalyzes the last two steps of purine biosynthesis. Acts as a transformylase that incorporates a formyl group to the AMP analog AICAR (5-amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide) to produce the intermediate formyl-AICAR (FAICAR). Can use both 10-formyldihydrofolate and 10-formyltetrahydrofolate as the formyl donor in this reaction. Also catalyzes the cyclization of FAICAR to inosine monophosphate (IMP). Promotes insulin receptor/INSR autophosphorylation and is involved in INSR internalization.

AlphaFold DB , UniProt , Accession A0A3B3TUD0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 591 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
1M31.4Very low80Confident241 Ų24151.4 Ų51.4100%1.18731%0.309SS*.  0125.10-68.2-177.6-128.200106.4S3M1-S3 PolarHBondContact O-N 2.99Å
2A38.1Very low81.1Confident98 Ų9850 Ų5081%0.8130%0.304SS*.  trans-53.8127.7175.900000108.4T4A2-T4 PolarHBondContact O-N 3.38Å
3S57.1Low82.2Confident79 Ų7951.9 Ų51.955%0.55231%0.311SS*.  trans-62.3115-178.969.20000108.2M1 E5M1-S3 PolarHBondContact O-N 2.99Å; S3-E5 PolarHBondContact O-N 3.36Å
4T77.7Confident83.2Confident81 Ų8154.6 Ų54.650%0.49732%0.317SS..  trans-61.2112.8178.8-21.80000108.5A2 S30A2-T4 PolarHBondContact O-N 3.38Å; T4-S30 WeakPolarHBondContact CG2-OG 3.46Å
5E89.8Confident84.2Confident43 Ų4356.8 Ų56.820%0.20133%0.331CS..PPolyproline II helixtrans-67.2150.7178.1-67.9-172.6125.500110.5S3 L29 S30 L95 R97S3-E5 PolarHBondContact O-N 3.36Å; E5-L29 HydrophobicContact CB-CD2 3.73Å; E5-L29 VanDerWaalsContact O-CD2 3.28Å; E5-L29 WeakPolarHBondContact O-CD2 3.23Å; E5-S30 PolarHBondContact O-N 2.94Å; E5-S30 VanDerWaalsContact O-N 3.15Å; E5-L95 HydrophobicContact CG-CB 4.35Å; E5-R97 HydrophobicContact CB-CB 4.1Å; E5-R97 VanDerWaalsContact OE2-CD 3.3Å; E5-R97 WeakPolarHBondContact OE2-CD 3.47Å; E5-R97 IonicContact OE2-CZ 3.26Å; E5-R97 IonicContact OE2-NE 2.7Å; E5-R97 IonicContact OE2-NH1 2.72Å; E5-R97 PolarHBondContact OE2-NH1 3.42Å
6L97.4Very high85Confident0 Ų055.7 Ų55.70%034%0.336CS..EExtended strand (participates in β ladder)trans-100.3145-172.1-51.5-178.2000112S30 V32 L54 L95 V96 R97 V98L6-S30 WeakPolarHBondContact CA-O 3.29Å; L6-V32 HydrophobicContact CB-CG2 4.42Å; L6-V32 HydrophobicContact CD1-CG2 4.04Å; L6-V32 HydrophobicContact CD2-CG2 4.24Å; L6-V32 HydrophobicContact CG-CG2 4.47Å; L6-L54 HydrophobicContact CD1-CD1 4Å; L6-L54 HydrophobicContact CD1-CD2 4.19Å; L6-L95 PolarHBondContact N-O 3.05Å; L6-V96 HydrophobicContact CB-CG2 4.2Å; L6-V96 HydrophobicContact CD1-CG2 4.34Å; L6-V96 CarbonylContact O-C 3.47Å; L6-R97 PolarHBondContact O-N 3.43Å; L6-V98 PolarHBondContact O-N 3.23Å
7A98.3Very high85.8Confident0 Ų052.5 Ų52.50%032%0.317CS..EExtended strand (participates in β ladder)trans-103.311715700000108.6L9 L24 L29 S30 L31 V32 V98A7-L9 HydrophobicContact CB-CD1 4.13Å; A7-L9 VanDerWaalsContact O-CD1 3.31Å; A7-L9 WeakPolarHBondContact O-CD1 3.39Å; A7-L24 HydrophobicContact CB-CB 4.42Å; A7-L24 HydrophobicContact CB-CD1 3.86Å; A7-L29 HydrophobicContact CB-CB 4.15Å; A7-L29 HydrophobicContact CB-CD1 4.17Å; A7-S30 PolarHBondContact N-O 3.37Å; A7-L31 HydrophobicContact CB-CD2 4.04Å; A7-V32 PolarHBondContact O-N 3.29Å; A7-V98 CarbonylContact C-O 3.6Å; A7-V98 WeakPolarHBondContact CA-O 3.14Å; A7-V98 HydrophobicContact CB-CB 4.2Å
8L98.4Very high86.5Confident2 Ų251.9 Ų51.91%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-97.4122177.4178.667.3000109.9V32 V51 V72 I76 V96 V98 V99 V100 L131L8-V32 CarbonylContact C-O 3.39Å; L8-V32 WeakPolarHBondContact CA-O 3.29Å; L8-V32 HydrophobicContact CD1-CB 4.08Å; L8-V32 HydrophobicContact CD1-CG1 3.81Å; L8-V51 HydrophobicContact CD1-CG2 3.85Å; L8-V72 HydrophobicContact CD2-CG1 3.65Å; L8-I76 HydrophobicContact CD2-CD1 4.07Å; L8-V96 HydrophobicContact CB-CG1 3.85Å; L8-V98 PolarHBondContact N-O 3.37Å; L8-V99 HydrophobicContact CB-CG2 4.45Å; L8-V99 CarbonylContact O-C 3.52Å; L8-V99 WeakPolarHBondContact O-CA 3.19Å; L8-V100 PolarHBondContact O-N 3.3Å; L8-L131 HydrophobicContact CD2-CD1 4.32Å; L8-L131 HydrophobicContact CD2-CD2 3.6Å
9L98.4Very high87.1Confident0 Ų054.1 Ų54.10%032%0.323CS..EExtended strand (participates in β ladder)trans-120.3123-176.7-55.494.9000110.9A7 L17 A21 L24 L31 V32 G33 S34 T37 L41 V100A7-L9 HydrophobicContact CB-CD1 4.13Å; A7-L9 VanDerWaalsContact O-CD1 3.31Å; A7-L9 WeakPolarHBondContact O-CD1 3.39Å; L9-L17 HydrophobicContact CB-CD1 4.49Å; L9-L17 HydrophobicContact CD2-CD1 3.56Å; L9-A21 HydrophobicContact CD2-CB 4.27Å; L9-L24 HydrophobicContact CD2-CD1 4.48Å; L9-L31 HydrophobicContact CD1-CB 4.29Å; L9-L31 HydrophobicContact CD1-CD2 3.93Å; L9-V32 PolarHBondContact N-O 2.77Å; L9-G33 WeakPolarHBondContact O-CA 3.45Å; L9-S34 PolarHBondContact O-N 3.46Å; L9-T37 HydrophobicContact CB-CG2 3.81Å; L9-T37 WeakPolarHBondContact O-CG2 3.35Å; L9-L41 HydrophobicContact CD1-CD1 4.45Å; L9-L41 HydrophobicContact CD2-CD1 4.42Å; L9-V100 CarbonylContact C-O 3.58Å; L9-V100 WeakPolarHBondContact CA-O 3.3Å; L9-V100 HydrophobicContact CB-CB 4.42Å; L9-V100 HydrophobicContact CD2-CB 4.19Å; L9-V100 HydrophobicContact CD2-CG2 4.09Å; L9-V100 HydrophobicContact CG-CB 4.07Å; L9-V100 HydrophobicContact CG-CG2 4.08Å
10S96.7Very high87.6Confident15 Ų1551.5 Ų51.511%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-149.486.9178-174.80000109.9S34 V100 C101S10-S34 PolarHBondContact OG-OG 2.92Å; S10-V100 PolarHBondContact N-O 3.1Å; S10-C101 VanDerWaalsContact O-CA 3.25Å; S10-C101 WeakPolarHBondContact O-CA 3.49Å; S10-C101 PolarHBondContact O-SG 3.24Å
11V96.5Very high88.1Confident6 Ų649 Ų494%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-120.6137.1-171.3-640000112.5D13 K14 L17 T37 V100 N102V11-D13 WeakPolarHBondContact CB-O 3.44Å; V11-D13 WeakPolarHBondContact CG2-O 3.41Å; V11-K14 HydrophobicContact CG2-CD 4.41Å; V11-K14 HydrophobicContact CG2-CG 4.31Å; V11-K14 WeakPolarHBondContact O-CE 3.32Å; V11-K14 PolarHBondContact O-NZ 3.46Å; V11-L17 HydrophobicContact CG2-CD1 3.96Å; V11-L17 HydrophobicContact CG2-CD2 3.82Å; V11-L17 HydrophobicContact CG2-CG 4.36Å; V11-T37 HydrophobicContact CG2-CG2 4.02Å; V11-T37 PolarHBondContact N-OG1 2.91Å; V11-T37 PolarHBondContact O-OG1 2.76Å; V11-V100 HydrophobicContact CG1-CG1 3.96Å; V11-N102 WeakPolarHBondContact CA-OD1 3.47Å; V11-N102 WeakPolarHBondContact CB-OD1 3.49Å
12S93.8Very high91.3Very high35 Ų3541.6 Ų41.625%0.24525%0.253CS..SBendtrans-76.8-47.7168-173.90000111.5K14 N102 L103S12-K14 WeakPolarHBondContact O-CD 3.28Å; S12-K14 PolarHBondContact O-NZ 3.36Å; S12-N102 WeakPolarHBondContact CA-OD1 3.45Å; S12-N102 PolarHBondContact N-O 3.17Å; S12-N102 PolarHBondContact N-OD1 3.21Å; S12-L103 VanDerWaalsContact CB-O 3.26Å; S12-L103 WeakPolarHBondContact CB-O 3.4Å
13D94.7Very high94.2Very high75 Ų7540.1 Ų40.140%0.40123%0.23SC..  trans-88.4118.9170.8179.87.2000110.5V11 T15 N102V11-D13 WeakPolarHBondContact CB-O 3.44Å; V11-D13 WeakPolarHBondContact CG2-O 3.41Å; D13-T15 VanDerWaalsContact OD1-CB 3.28Å; D13-T15 WeakPolarHBondContact OD1-CB 3.45Å; D13-T15 PolarHBondContact OD1-N 3.32Å; D13-T15 PolarHBondContact OD1-OG1 3.26Å; D13-N102 PolarHBondContact N-OD1 3.42Å; D13-N102 PolarHBondContact O-ND2 3.49Å
14K96.7Very high96.1Very high90 Ų9036.3 Ų36.339%0.39120%0.203SC..  trans-94.15.6-176.4-72.466165.6162.60112.6V11 S12 G16 L17V11-K14 HydrophobicContact CG2-CD 4.41Å; V11-K14 HydrophobicContact CG2-CG 4.31Å; V11-K14 WeakPolarHBondContact O-CE 3.32Å; V11-K14 PolarHBondContact O-NZ 3.46Å; S12-K14 WeakPolarHBondContact O-CD 3.28Å; S12-K14 PolarHBondContact O-NZ 3.36Å; K14-G16 PolarHBondContact O-N 3.07Å; K14-L17 HydrophobicContact CB-CB 4.4Å; K14-L17 HydrophobicContact CB-CD2 4.25Å; K14-L17 HydrophobicContact CG-CD2 3.92Å; K14-L17 WeakPolarHBondContact O-CB 3.44Å; K14-L17 PolarHBondContact O-N 3.23Å
15T97.6Very high97Very high87 Ų8735.4 Ų35.453%0.53420%0.197SC..THydrogen-bonded Turntrans-52.3125.9178.1-60.50000110.5D13 L17 P148 Y151D13-T15 VanDerWaalsContact OD1-CB 3.28Å; D13-T15 WeakPolarHBondContact OD1-CB 3.45Å; D13-T15 PolarHBondContact OD1-N 3.32Å; D13-T15 PolarHBondContact OD1-OG1 3.26Å; T15-L17 PolarHBondContact O-N 2.94Å; T15-P148 HydrophobicContact CG2-CB 4.44Å; T15-Y151 VanDerWaalsContact O-CE2 3.27Å; T15-Y151 WeakPolarHBondContact O-CE2 3.39Å
16G97.8Very high97.3Very high39 Ų3938.5 Ų38.540%0.40222%0.215SC..THydrogen-bonded Turntrans66.21.8179.400000116.4K14 V18 D19 F20K14-G16 PolarHBondContact O-N 3.07Å; G16-V18 PolarHBondContact O-N 2.93Å; G16-D19 PolarHBondContact O-N 2.93Å; G16-F20 PolarHBondContact O-N 3.22Å; G16-F20 VanDerWaalsContact O-N 3.09Å
17L98.2Very high97.2Very high2 Ų238.9 Ų38.91%0.0122%0.218CC..Hα-helixtrans-58.5-48.1-172.3172.566.8000112.8L9 V11 K14 T15 F20 A21 T37 A40 L41L9-L17 HydrophobicContact CB-CD1 4.49Å; L9-L17 HydrophobicContact CD2-CD1 3.56Å; V11-L17 HydrophobicContact CG2-CD1 3.96Å; V11-L17 HydrophobicContact CG2-CD2 3.82Å; V11-L17 HydrophobicContact CG2-CG 4.36Å; K14-L17 HydrophobicContact CB-CB 4.4Å; K14-L17 HydrophobicContact CB-CD2 4.25Å; K14-L17 HydrophobicContact CG-CD2 3.92Å; K14-L17 WeakPolarHBondContact O-CB 3.44Å; K14-L17 PolarHBondContact O-N 3.23Å; T15-L17 PolarHBondContact O-N 2.94Å; L17-F20 PolarHBondContact O-N 3.07Å; L17-A21 VanDerWaalsContact O-CB 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.17Å; L17-A21 PolarHBondContact O-N 2.94Å; L17-T37 HydrophobicContact CD1-CG2 4.35Å; L17-T37 HydrophobicContact CD2-CG2 3.86Å; L17-A40 HydrophobicContact CD2-CB 4.46Å; L17-L41 HydrophobicContact CD1-CD2 4.45Å; L17-L41 HydrophobicContact CD2-CD2 4.29Å; L17-L41 HydrophobicContact CD2-CG 4.37Å; L17-L41 HydrophobicContact CG-CD2 3.99Å
18V98Very high97Very high42 Ų4241 Ų4126%0.25524%0.239SC..Hα-helixtrans-63.7-44.9-174.2170.60000110.9G16 A21 K22 A44 L46G16-V18 PolarHBondContact O-N 2.93Å; V18-A21 PolarHBondContact O-N 2.84Å; V18-K22 WeakPolarHBondContact O-CG 3.47Å; V18-K22 PolarHBondContact O-N 3.5Å; V18-K22 VanDerWaalsContact O-N 3.12Å; V18-A44 HydrophobicContact CB-CB 4.34Å; V18-A44 HydrophobicContact CG1-CB 3.58Å; V18-A44 HydrophobicContact CG2-CB 3.75Å; V18-L46 HydrophobicContact CG1-CD1 4.45Å
19D97.8Very high96.9Very high92 Ų9241.1 Ų41.149%0.49224%0.24SC..Hα-helixtrans-70.1-42-178.5-65.4-31000111.1G16 A21 K22 H23G16-D19 PolarHBondContact O-N 2.93Å; D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3.22Å; D19-K22 WeakPolarHBondContact O-CB 3.33Å; D19-K22 PolarHBondContact O-N 2.88Å; D19-K22 IonicContact OD1-NZ 3.71Å; D19-K22 PolarHBondContact OD1-NZ 3.36Å; D19-H23 PolarHBondContact O-CD2 2.89Å; D19-H23 PolarHBondContact O-N 3.05Å
20F98.6Very high96.9Very high3 Ų343 Ų431%0.01325%0.253CS..Hα-helixtrans-60.1-42.1174-171.4-135000112.3G16 L17 K22 H23 L24 V100 V145 Y151 V154 A155G16-F20 PolarHBondContact O-N 3.22Å; G16-F20 VanDerWaalsContact O-N 3.09Å; L17-F20 PolarHBondContact O-N 3.07Å; F20-K22 VanDerWaalsContact C-N 3.32Å; F20-K22 PolarHBondContact O-N 2.85Å; F20-H23 WeakPolarHBondContact O-CB 3.26Å; F20-H23 PolarHBondContact O-N 3.5Å; F20-L24 HydrophobicContact CD1-CD1 4.2Å; F20-L24 HydrophobicContact CE1-CD1 4.01Å; F20-L24 HydrophobicContact CE2-CD2 4.21Å; F20-L24 HydrophobicContact CE2-CG 4.41Å; F20-L24 HydrophobicContact CZ-CD1 4.29Å; F20-L24 HydrophobicContact CZ-CD2 4.04Å; F20-L24 HydrophobicContact CZ-CG 4.34Å; F20-L24 WeakPolarHBondContact O-CG 3.14Å; F20-L24 PolarHBondContact O-N 3.36Å; F20-V100 HydrophobicContact CD1-CG1 4.36Å; F20-V100 HydrophobicContact CD1-CG2 4.12Å; F20-V100 HydrophobicContact CE1-CG1 4.32Å; F20-V100 HydrophobicContact CE1-CG2 3.6Å; F20-V145 HydrophobicContact CE1-CG2 4.39Å; F20-V145 HydrophobicContact CZ-CG2 4.32Å; F20-Y151 HydrophobicContact CB-CD2 3.66Å; F20-Y151 HydrophobicContact CB-CE2 4.34Å; F20-Y151 HydrophobicContact CB-CG 3.8Å; F20-Y151 AromaticContact CD1-CD1 3.55Å; F20-Y151 HydrophobicContact CD1-CD1 3.55Å; F20-Y151 HydrophobicContact CD1-CD2 4.07Å; F20-Y151 AromaticContact CD1-CE1 3.9Å; F20-Y151 HydrophobicContact CD1-CE1 3.9Å; F20-Y151 HydrophobicContact CD1-CE2 4.37Å; F20-Y151 AromaticContact CD1-CG 3.66Å; F20-Y151 HydrophobicContact CD1-CG 3.66Å; F20-Y151 HydrophobicContact CD2-CG 4.19Å; F20-Y151 WeakPolarHBondContact CD2-O 2.88Å; F20-Y151 AromaticContact CE1-CD1 3.76Å; F20-Y151 HydrophobicContact CE1-CD1 3.76Å; F20-Y151 HydrophobicContact CE1-CE1 4.13Å; F20-Y151 HydrophobicContact CE1-CG 4.26Å; F20-Y151 VanDerWaalsContact CE2-O 3.29Å; F20-Y151 WeakPolarHBondContact CE2-O 3.16Å; F20-Y151 AromaticContact CG-CD1 4Å; F20-Y151 HydrophobicContact CG-CD1 4Å; F20-Y151 AromaticContact CG-CD2 3.99Å; F20-Y151 HydrophobicContact CG-CD2 3.99Å; F20-Y151 AromaticContact CG-CG 3.62Å; F20-Y151 HydrophobicContact CG-CG 3.62Å; F20-Y151 HydrophobicContact CZ-CD1 4.39Å; F20-V154 HydrophobicContact CE2-CB 4.07Å; F20-V154 HydrophobicContact CE2-CG1 4.04Å; F20-V154 HydrophobicContact CZ-CB 4.07Å; F20-V154 HydrophobicContact CZ-CG1 3.78Å; F20-A155 HydrophobicContact CD2-CB 4.02Å; F20-A155 HydrophobicContact CE2-CB 4.03Å
21A98.3Very high96.9Very high0 Ų042.4 Ų42.40%025%0.249CC..Hα-helixtrans-62.4-35.6177.300000113.1L9 L17 V18 D19 L24 V25 L31 L41 L46L9-A21 HydrophobicContact CD2-CB 4.27Å; L17-A21 VanDerWaalsContact O-CB 3.3Å; L17-A21 WeakPolarHBondContact O-CB 3.17Å; L17-A21 PolarHBondContact O-N 2.94Å; V18-A21 PolarHBondContact O-N 2.84Å; D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3.22Å; A21-L24 PolarHBondContact O-N 2.97Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.9Å; A21-V25 VanDerWaalsContact O-N 3.08Å; A21-L31 HydrophobicContact CB-CD1 3.95Å; A21-L31 HydrophobicContact CB-CD2 4.44Å; A21-L41 HydrophobicContact CB-CD2 3.48Å; A21-L41 VanDerWaalsContact CB-CD2 3.48Å; A21-L46 HydrophobicContact CB-CD1 3.77Å
22K97.9Very high97Very high84 Ų8442.2 Ų42.237%0.36525%0.247SC..Hα-helixtrans-60.7-45.8172.6-70.3166.9-169.6159.40111.5V18 D19 F20 L24 V25 N26 L46V18-K22 WeakPolarHBondContact O-CG 3.47Å; V18-K22 PolarHBondContact O-N 3.5Å; V18-K22 VanDerWaalsContact O-N 3.12Å; D19-K22 WeakPolarHBondContact O-CB 3.33Å; D19-K22 PolarHBondContact O-N 2.88Å; D19-K22 IonicContact OD1-NZ 3.71Å; D19-K22 PolarHBondContact OD1-NZ 3.36Å; F20-K22 VanDerWaalsContact C-N 3.32Å; F20-K22 PolarHBondContact O-N 2.85Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.5Å; K22-V25 PolarHBondContact O-N 2.71Å; K22-N26 VanDerWaalsContact O-CG 3.3Å; K22-N26 PolarHBondContact O-N 3.21Å; K22-N26 PolarHBondContact O-OD1 3.05Å; K22-L46 HydrophobicContact CG-CD1 4.28Å; K22-L46 HydrophobicContact CG-CD2 3.88Å
23H97.9Very high97Very high67 Ų6740.5 Ų40.531%0.3124%0.236SC..Hα-helixtrans-60.4-41.7176.8-68.1-71.2000111.7D19 F20 V25 N26 V27 A155 E159D19-H23 PolarHBondContact O-CD2 2.89Å; D19-H23 PolarHBondContact O-N 3.05Å; F20-H23 WeakPolarHBondContact O-CB 3.26Å; F20-H23 PolarHBondContact O-N 3.5Å; H23-V25 VanDerWaalsContact C-N 3.31Å; H23-V25 PolarHBondContact O-N 3.4Å; H23-N26 WeakPolarHBondContact O-CB 3.35Å; H23-N26 PolarHBondContact O-N 2.84Å; H23-N26 VanDerWaalsContact O-N 3.14Å; H23-V27 PolarHBondContact O-N 3.3Å; H23-V27 VanDerWaalsContact O-N 3.1Å; H23-A155 HydrophobicContact CB-CB 3.68Å; H23-E159 IonicContact CE1-OE1 3.87Å; H23-E159 IonicContact CE1-OE2 2.99Å; H23-E159 IonicContact CG-OE1 2.76Å; H23-E159 IonicContact ND1-OE1 3.81Å; H23-E159 PolarHBondContact ND1-OE1 2.91Å; H23-E159 IonicContact ND1-OE2 2.72Å; H23-E159 PolarHBondContact ND1-OE2 3.37Å
24L97.9Very high96.7Very high0 Ų037.2 Ų37.20%022%0.218CC..Hα-helixtrans-60.9-38.4175.9-63.7177.1000112.5A7 L9 F20 A21 K22 V27 L29 L31 V98 V100 M158A7-L24 HydrophobicContact CB-CB 4.42Å; A7-L24 HydrophobicContact CB-CD1 3.86Å; L9-L24 HydrophobicContact CD2-CD1 4.48Å; F20-L24 HydrophobicContact CD1-CD1 4.2Å; F20-L24 HydrophobicContact CE1-CD1 4.01Å; F20-L24 HydrophobicContact CE2-CD2 4.21Å; F20-L24 HydrophobicContact CE2-CG 4.41Å; F20-L24 HydrophobicContact CZ-CD1 4.29Å; F20-L24 HydrophobicContact CZ-CD2 4.04Å; F20-L24 HydrophobicContact CZ-CG 4.34Å; F20-L24 WeakPolarHBondContact O-CG 3.14Å; F20-L24 PolarHBondContact O-N 3.36Å; A21-L24 PolarHBondContact O-N 2.97Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.5Å; L24-V27 WeakPolarHBondContact O-CG2 3.3Å; L24-V27 PolarHBondContact O-N 3.5Å; L24-L29 HydrophobicContact CB-CD1 4.46Å; L24-L29 HydrophobicContact CD2-CD1 4.11Å; L24-L29 VanDerWaalsContact O-CB 3.32Å; L24-L29 WeakPolarHBondContact O-CB 3.42Å; L24-L29 PolarHBondContact O-N 3.26Å; L24-L31 HydrophobicContact CB-CD2 4.17Å; L24-V98 HydrophobicContact CD1-CG1 4.26Å; L24-V98 HydrophobicContact CD2-CG1 4.23Å; L24-V98 HydrophobicContact CD2-CG2 4.14Å; L24-V100 HydrophobicContact CD1-CG2 4.29Å; L24-M158 HydrophobicContact CD2-SD 4.04Å
25V96.9Very high96.3Very high61 Ų6134.3 Ų34.337%0.3721%0.214SC..Hα-helixtrans-66.7-41.7173.8173.40000111.3A21 K22 H23 V27 G28 L31A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 2.9Å; A21-V25 VanDerWaalsContact O-N 3.08Å; K22-V25 PolarHBondContact O-N 2.71Å; H23-V25 VanDerWaalsContact C-N 3.31Å; H23-V25 PolarHBondContact O-N 3.4Å; V25-V27 PolarHBondContact O-N 3.38Å; V25-G28 WeakPolarHBondContact O-CA 3.28Å; V25-G28 PolarHBondContact O-N 3.37Å; V25-L31 HydrophobicContact CG2-CD1 3.75Å; V25-L31 HydrophobicContact CG2-CD2 3.99Å; V25-L31 HydrophobicContact CG2-CG 3.7Å
26N95Very high96Very high108 Ų10832.5 Ų32.558%0.57821%0.212SC*.Hα-helixtrans-60.5-34.3178.6-67.7-17.8000112.7K22 H23 G28K22-N26 VanDerWaalsContact O-CG 3.3Å; K22-N26 PolarHBondContact O-N 3.21Å; K22-N26 PolarHBondContact O-OD1 3.05Å; H23-N26 WeakPolarHBondContact O-CB 3.35Å; H23-N26 PolarHBondContact O-N 2.84Å; H23-N26 VanDerWaalsContact O-N 3.14Å; N26-G28 PolarHBondContact O-N 2.91Å
27V95.4Very high95.9Very high9 Ų930.8 Ų30.86%0.05519%0.194CC..THydrogen-bonded Turntrans-82.27.4174.5-58.70000113.4H23 L24 V25 L29 M158 E159 K164H23-V27 PolarHBondContact O-N 3.3Å; H23-V27 VanDerWaalsContact O-N 3.1Å; L24-V27 WeakPolarHBondContact O-CG2 3.3Å; L24-V27 PolarHBondContact O-N 3.5Å; V25-V27 PolarHBondContact O-N 3.38Å; V27-L29 HydrophobicContact CG2-CD1 4.27Å; V27-L29 HydrophobicContact CG2-CG 4.34Å; V27-M158 HydrophobicContact CG1-CB 4.06Å; V27-M158 HydrophobicContact CG2-CE 3.94Å; V27-E159 HydrophobicContact CG1-CG 3.71Å; V27-K164 HydrophobicContact CB-CB 4.16Å; V27-K164 HydrophobicContact CB-CD 4.47Å; V27-K164 WeakPolarHBondContact O-CD 3.23Å
28G95Very high95.7Very high44 Ų4430.7 Ų30.745%0.45419%0.194SC..THydrogen-bonded Turntrans89.814.917000000115.4V25 N26V25-G28 WeakPolarHBondContact O-CA 3.28Å; V25-G28 PolarHBondContact O-N 3.37Å; N26-G28 PolarHBondContact O-N 2.91Å
29L97.1Very high95.6Very high5 Ų534.5 Ų34.53%0.02621%0.207CC..PPolyproline II helixtrans-86.7143.1178.3-65.5173.6000112.2E5 A7 L24 V27 R97 V98 M158E5-L29 HydrophobicContact CB-CD2 3.73Å; E5-L29 VanDerWaalsContact O-CD2 3.28Å; E5-L29 WeakPolarHBondContact O-CD2 3.23Å; A7-L29 HydrophobicContact CB-CB 4.15Å; A7-L29 HydrophobicContact CB-CD1 4.17Å; L24-L29 HydrophobicContact CB-CD1 4.46Å; L24-L29 HydrophobicContact CD2-CD1 4.11Å; L24-L29 VanDerWaalsContact O-CB 3.32Å; L24-L29 WeakPolarHBondContact O-CB 3.42Å; L24-L29 PolarHBondContact O-N 3.26Å; V27-L29 HydrophobicContact CG2-CD1 4.27Å; V27-L29 HydrophobicContact CG2-CG 4.34Å; L29-R97 HydrophobicContact CD2-CB 4.12Å; L29-R97 VanDerWaalsContact CD2-CZ 3.45Å; L29-V98 HydrophobicContact CD1-CB 4.29Å; L29-V98 HydrophobicContact CD1-CG2 3.59Å; L29-M158 HydrophobicContact CD1-CE 3.95Å
30S97.1Very high95.6Very high38 Ų3831.4 Ų31.427%0.26619%0.194SC..EExtended strand (participates in β ladder)trans-89.4130171-62.70000110.6T4 E5 L6 A7T4-S30 WeakPolarHBondContact CG2-OG 3.46Å; E5-S30 PolarHBondContact O-N 2.94Å; E5-S30 VanDerWaalsContact O-N 3.15Å; L6-S30 WeakPolarHBondContact CA-O 3.29Å; A7-S30 PolarHBondContact N-O 3.37Å
31L97.8Very high95.5Very high4 Ų431.3 Ų31.32%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-80.2134.4-178.5-52.7-178.6000111.4A7 L9 A21 L24 V25 L46 V48 R49A7-L31 HydrophobicContact CB-CD2 4.04Å; L9-L31 HydrophobicContact CD1-CB 4.29Å; L9-L31 HydrophobicContact CD1-CD2 3.93Å; A21-L31 HydrophobicContact CB-CD1 3.95Å; A21-L31 HydrophobicContact CB-CD2 4.44Å; L24-L31 HydrophobicContact CB-CD2 4.17Å; V25-L31 HydrophobicContact CG2-CD1 3.75Å; V25-L31 HydrophobicContact CG2-CD2 3.99Å; V25-L31 HydrophobicContact CG2-CG 3.7Å; L31-L46 HydrophobicContact CD1-CB 4.23Å; L31-L46 HydrophobicContact CD1-CD1 4.31Å; L31-V48 HydrophobicContact CB-CB 4.07Å; L31-V48 HydrophobicContact CB-CG2 3.99Å; L31-R49 PolarHBondContact O-N 3.16Å
32V97.1Very high95.5Very high1 Ų136.3 Ų36.31%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-124.9125.6167.8-178.40000108.2L6 A7 L8 L9 R49 V51L6-V32 HydrophobicContact CB-CG2 4.42Å; L6-V32 HydrophobicContact CD1-CG2 4.04Å; L6-V32 HydrophobicContact CD2-CG2 4.24Å; L6-V32 HydrophobicContact CG-CG2 4.47Å; A7-V32 PolarHBondContact O-N 3.29Å; L8-V32 CarbonylContact C-O 3.39Å; L8-V32 WeakPolarHBondContact CA-O 3.29Å; L8-V32 HydrophobicContact CD1-CB 4.08Å; L8-V32 HydrophobicContact CD1-CG1 3.81Å; L9-V32 PolarHBondContact N-O 2.77Å; V32-R49 CarbonylContact C-O 3.56Å; V32-R49 VanDerWaalsContact CA-O 3.3Å; V32-R49 WeakPolarHBondContact CA-O 3.17Å; V32-R49 HydrophobicContact CG2-CB 4.47Å; V32-V51 HydrophobicContact CG1-CG2 3.85Å
33G94.1Very high95.5Very high0 Ų038 Ų380%023%0.226CC..EExtended strand (participates in β ladder)trans-125.5154.4-175.700000112.7L9 R49 V51L9-G33 WeakPolarHBondContact O-CA 3.45Å; G33-R49 PolarHBondContact N-O 3.47Å; G33-V51 PolarHBondContact O-N 3.32Å
34S89.3Confident95.4Very high5 Ų536.9 Ų36.94%0.03523%0.228CC..  trans-105.6140.5171.679.80000111.7L9 S10 G36 T37 A38L9-S34 PolarHBondContact O-N 3.46Å; S10-S34 PolarHBondContact OG-OG 2.92Å; S34-G36 PolarHBondContact O-N 2.96Å; S34-T37 WeakPolarHBondContact O-CA 3.41Å; S34-T37 VanDerWaalsContact O-CB 3.3Å; S34-T37 WeakPolarHBondContact O-CB 3.38Å; S34-T37 PolarHBondContact O-N 3.06Å; S34-A38 PolarHBondContact O-N 3.15Å; S34-A38 VanDerWaalsContact O-N 3.13Å
35G87.7Confident95.3Very high30 Ų3040.1 Ų40.131%0.30926%0.262SS..Hα-helixtrans36.2-114.6169.700000115.4T37 A38 K39G35-T37 VanDerWaalsContact C-N 3.3Å; G35-T37 PolarHBondContact O-N 2.82Å; G35-A38 PolarHBondContact O-N 3.28Å; G35-K39 PolarHBondContact O-N 3.08Å
36G91Very high95.3Very high48 Ų4838.5 Ų38.550%0.49525%0.251SS..Hα-helixtrans-63.9-27.1-179.500000115.1S34 A40S34-G36 PolarHBondContact O-N 2.96Å; G36-A40 PolarHBondContact O-N 2.75Å; G36-A40 VanDerWaalsContact O-N 3.1Å
37T95.4Very high95.4Very high4 Ų437.8 Ų37.83%0.02526%0.26CS..Hα-helixtrans-69.3-45.9173.7-58.70000110.7L9 V11 L17 S34 G35 K39 A40 L41L9-T37 HydrophobicContact CB-CG2 3.81Å; L9-T37 WeakPolarHBondContact O-CG2 3.35Å; V11-T37 HydrophobicContact CG2-CG2 4.02Å; V11-T37 PolarHBondContact N-OG1 2.91Å; V11-T37 PolarHBondContact O-OG1 2.76Å; L17-T37 HydrophobicContact CD1-CG2 4.35Å; L17-T37 HydrophobicContact CD2-CG2 3.86Å; S34-T37 WeakPolarHBondContact O-CA 3.41Å; S34-T37 VanDerWaalsContact O-CB 3.3Å; S34-T37 WeakPolarHBondContact O-CB 3.38Å; S34-T37 PolarHBondContact O-N 3.06Å; G35-T37 VanDerWaalsContact C-N 3.3Å; G35-T37 PolarHBondContact O-N 2.82Å; T37-K39 VanDerWaalsContact C-N 3.33Å; T37-K39 PolarHBondContact O-N 2.86Å; T37-A40 PolarHBondContact O-N 2.91Å; T37-L41 HydrophobicContact CG2-CD1 4.34Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 2.91Å
38A95.3Very high95.4Very high0 Ų038.1 Ų38.10%026%0.262CS..Hα-helixtrans-61-43.6175.700000111.4S34 G35 A40 L41 R42 V48 D50S34-A38 PolarHBondContact O-N 3.15Å; S34-A38 VanDerWaalsContact O-N 3.13Å; G35-A38 PolarHBondContact O-N 3.28Å; A38-A40 PolarHBondContact O-N 3Å; A38-L41 PolarHBondContact O-N 3.27Å; A38-R42 WeakPolarHBondContact O-CG 3.39Å; A38-R42 PolarHBondContact O-N 3.42Å; A38-V48 HydrophobicContact CB-CG2 4.49Å; A38-D50 WeakPolarHBondContact CB-OD1 3.3Å
39K95.6Very high95.4Very high121 Ų12140.3 Ų40.353%0.52626%0.256SS..Hα-helixtrans-56.3-50.8175.6-175.8179.6176.2-176.50112.2G35 T37 L41 R42 D43G35-K39 PolarHBondContact O-N 3.08Å; T37-K39 VanDerWaalsContact C-N 3.33Å; T37-K39 PolarHBondContact O-N 2.86Å; K39-L41 VanDerWaalsContact C-N 3.27Å; K39-L41 PolarHBondContact O-N 3.33Å; K39-R42 PolarHBondContact O-N 3.49Å; K39-R42 VanDerWaalsContact O-N 3.16Å; K39-D43 WeakPolarHBondContact O-CB 3.45Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.09Å
40A96.8Very high95.2Very high28 Ų2842 Ų4223%0.23127%0.265CS..Hα-helixtrans-59.5-36.7-179.500000113.1L17 G36 T37 A38 A44L17-A40 HydrophobicContact CD2-CB 4.46Å; G36-A40 PolarHBondContact O-N 2.75Å; G36-A40 VanDerWaalsContact O-N 3.1Å; T37-A40 PolarHBondContact O-N 2.91Å; A38-A40 PolarHBondContact O-N 3Å; A40-A44 PolarHBondContact O-N 3.28Å
41L97.8Very high95.1Very high0 Ų040.4 Ų40.40%025%0.254CS..Hα-helixtrans-70.8-41.6176.4-66.8172000112L9 L17 A21 T37 A38 K39 A44 G45 L46 V48L9-L41 HydrophobicContact CD1-CD1 4.45Å; L9-L41 HydrophobicContact CD2-CD1 4.42Å; L17-L41 HydrophobicContact CD1-CD2 4.45Å; L17-L41 HydrophobicContact CD2-CD2 4.29Å; L17-L41 HydrophobicContact CD2-CG 4.37Å; L17-L41 HydrophobicContact CG-CD2 3.99Å; A21-L41 HydrophobicContact CB-CD2 3.48Å; A21-L41 VanDerWaalsContact CB-CD2 3.48Å; T37-L41 HydrophobicContact CG2-CD1 4.34Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 2.91Å; A38-L41 PolarHBondContact O-N 3.27Å; K39-L41 VanDerWaalsContact C-N 3.27Å; K39-L41 PolarHBondContact O-N 3.33Å; L41-A44 PolarHBondContact O-N 3.08Å; L41-G45 PolarHBondContact O-N 3.08Å; L41-L46 HydrophobicContact CB-CB 4.48Å; L41-L46 HydrophobicContact CD2-CD1 3.82Å; L41-L46 WeakPolarHBondContact O-CB 3.34Å; L41-L46 PolarHBondContact O-N 3.03Å; L41-V48 HydrophobicContact CB-CB 4.34Å; L41-V48 HydrophobicContact CB-CG1 3.94Å; L41-V48 HydrophobicContact CD1-CB 4.45Å; L41-V48 HydrophobicContact CD1-CG2 4.08Å
42R97.4Very high94.8Very high105 Ų10542.6 Ų42.640%0.39627%0.27SS..Hα-helixtrans-64.5-43.1175.5-69.5-168.2-125.499-3.6112.1A38 K39 A44 G45 V48 D50A38-R42 WeakPolarHBondContact O-CG 3.39Å; A38-R42 PolarHBondContact O-N 3.42Å; K39-R42 PolarHBondContact O-N 3.49Å; K39-R42 VanDerWaalsContact O-N 3.16Å; R42-A44 PolarHBondContact O-N 3Å; R42-G45 WeakPolarHBondContact O-CA 3.2Å; R42-G45 PolarHBondContact O-N 2.99Å; R42-V48 HydrophobicContact CG-CG1 3.37Å; R42-D50 IonicContact CZ-OD2 2.64Å; R42-D50 IonicContact NE-OD2 3.34Å; R42-D50 IonicContact NH2-OD1 3.09Å; R42-D50 PolarHBondContact NH2-OD1 3.17Å; R42-D50 IonicContact NH2-OD2 3.62Å; R42-D50 PolarHBondContact NH2-OD2 2.77Å
43D96.9Very high94.5Very high120 Ų12048 Ų4864%0.64230%0.295SS*.Hα-helixtrans-61.9-26.8177.8-67.3-11.3000111.4K39 G45K39-D43 WeakPolarHBondContact O-CB 3.45Å; K39-D43 VanDerWaalsContact O-CG 3.22Å; K39-D43 PolarHBondContact O-N 3.09Å; D43-G45 VanDerWaalsContact C-N 3.32Å
44A96.6Very high94.4Very high44 Ų4449.3 Ų49.336%0.36430%0.302SS..THydrogen-bonded Turntrans-86.76.2173.200000114.4V18 A40 L41 R42V18-A44 HydrophobicContact CB-CB 4.34Å; V18-A44 HydrophobicContact CG1-CB 3.58Å; V18-A44 HydrophobicContact CG2-CB 3.75Å; A40-A44 PolarHBondContact O-N 3.28Å; L41-A44 PolarHBondContact O-N 3.08Å; R42-A44 PolarHBondContact O-N 3Å
45G96.7Very high94.5Very high68 Ų6849.6 Ų49.670%0.70130%0.303SS*.THydrogen-bonded Turntrans81.113.2177.100000115.4L41 R42 D43L41-G45 PolarHBondContact O-N 3.08Å; R42-G45 WeakPolarHBondContact O-CA 3.2Å; R42-G45 PolarHBondContact O-N 2.99Å; D43-G45 VanDerWaalsContact C-N 3.32Å
46L96.9Very high94.7Very high27 Ų2751.3 Ų51.314%0.14132%0.321CS..  trans-88.5138.8178.7-65.4170.9000111.9V18 A21 K22 L31 L41 V48V18-L46 HydrophobicContact CG1-CD1 4.45Å; A21-L46 HydrophobicContact CB-CD1 3.77Å; K22-L46 HydrophobicContact CG-CD1 4.28Å; K22-L46 HydrophobicContact CG-CD2 3.88Å; L31-L46 HydrophobicContact CD1-CB 4.23Å; L31-L46 HydrophobicContact CD1-CD1 4.31Å; L41-L46 HydrophobicContact CB-CB 4.48Å; L41-L46 HydrophobicContact CD2-CD1 3.82Å; L41-L46 WeakPolarHBondContact O-CB 3.34Å; L41-L46 PolarHBondContact O-N 3.03Å; L46-V48 PolarHBondContact O-N 2.98Å
47A96.1Very high94.7Very high92 Ų9254.4 Ų54.476%0.7632%0.323SS*.  trans-71.7114.917000000109.8
48V96.6Very high94.4Very high17 Ų1759.1 Ų59.110%0.10335%0.353CS..EExtended strand (participates in β ladder)trans-138.2134.517958.20000109.4L31 A38 L41 R42 L46L31-V48 HydrophobicContact CB-CB 4.07Å; L31-V48 HydrophobicContact CB-CG2 3.99Å; A38-V48 HydrophobicContact CB-CG2 4.49Å; L41-V48 HydrophobicContact CB-CB 4.34Å; L41-V48 HydrophobicContact CB-CG1 3.94Å; L41-V48 HydrophobicContact CD1-CB 4.45Å; L41-V48 HydrophobicContact CD1-CG2 4.08Å; R42-V48 HydrophobicContact CG-CG1 3.37Å; L46-V48 PolarHBondContact O-N 2.98Å
49R94.9Very high94Very high89 Ų8963.5 Ų63.534%0.33637%0.374SS..EExtended strand (participates in β ladder)trans-88.4143.9171.8-68.2-173-71.1170.5-4.7110.4L31 V32 G33 E53L31-R49 PolarHBondContact O-N 3.16Å; V32-R49 CarbonylContact C-O 3.56Å; V32-R49 VanDerWaalsContact CA-O 3.3Å; V32-R49 WeakPolarHBondContact CA-O 3.17Å; V32-R49 HydrophobicContact CG2-CB 4.47Å; G33-R49 PolarHBondContact N-O 3.47Å; R49-E53 WeakPolarHBondContact CG-OE2 3.4Å
50D93Very high93.6Very high40 Ų4062.8 Ų62.821%0.21437%0.373CS..EExtended strand (participates in β ladder)trans-72147.5170.6-76.6-66.4000110.8A38 R42 S52 E53A38-D50 WeakPolarHBondContact CB-OD1 3.3Å; R42-D50 IonicContact CZ-OD2 2.64Å; R42-D50 IonicContact NE-OD2 3.34Å; R42-D50 IonicContact NH2-OD1 3.09Å; R42-D50 PolarHBondContact NH2-OD1 3.17Å; R42-D50 IonicContact NH2-OD2 3.62Å; R42-D50 PolarHBondContact NH2-OD2 2.77Å; D50-S52 WeakPolarHBondContact CB-OG 3.31Å; D50-S52 PolarHBondContact O-N 3.47Å; D50-S52 VanDerWaalsContact O-N 3.16Å; D50-E53 HydrophobicContact CB-CG 4.38Å; D50-E53 PolarHBondContact N-OE1 3.24Å; D50-E53 WeakPolarHBondContact O-CB 3.43Å; D50-E53 PolarHBondContact O-N 3.41Å
51V93.2Very high93.2Very high5 Ų566.9 Ų66.93%0.0339%0.391CS..Hα-helixtrans-55-33.2173.9171.40000111.4L8 V32 G33 E53 L54 T55 K66 T67 V72L8-V51 HydrophobicContact CD1-CG2 3.85Å; V32-V51 HydrophobicContact CG1-CG2 3.85Å; G33-V51 PolarHBondContact O-N 3.32Å; V51-E53 PolarHBondContact O-N 3.1Å; V51-L54 WeakPolarHBondContact O-CA 3.2Å; V51-L54 WeakPolarHBondContact O-CB 3.31Å; V51-L54 PolarHBondContact O-N 2.89Å; V51-T55 HydrophobicContact CG1-CG2 3.88Å; V51-T55 WeakPolarHBondContact O-CG2 3.21Å; V51-T55 PolarHBondContact O-N 2.94Å; V51-T55 PolarHBondContact O-OG1 3.45Å; V51-K66 VanDerWaalsContact CG1-O 3.26Å; V51-K66 WeakPolarHBondContact CG1-O 3.12Å; V51-T67 HydrophobicContact CG1-CG2 4.27Å; V51-T67 HydrophobicContact CG2-CG2 4.28Å; V51-V72 HydrophobicContact CG1-CG2 3.93Å
52S92.1Very high92.5Very high50 Ų5070.9 Ų70.935%0.3543%0.432SS..Hα-helixtrans-61.2-29176.452.20000113.6D50 L54 T55 G56 H57D50-S52 WeakPolarHBondContact CB-OG 3.31Å; D50-S52 PolarHBondContact O-N 3.47Å; D50-S52 VanDerWaalsContact O-N 3.16Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-T55 WeakPolarHBondContact CA-OG1 3.42Å; S52-T55 PolarHBondContact O-OG1 3.16Å; S52-G56 WeakPolarHBondContact O-CA 3.32Å; S52-G56 PolarHBondContact O-N 2.91Å; S52-H57 VanDerWaalsContact CA-O 3.29Å; S52-H57 WeakPolarHBondContact CA-O 3.29Å; S52-H57 WeakPolarHBondContact CB-O 3.4Å
53E91.6Very high91.8Very high115 Ų11566.5 Ų66.554%0.53742%0.419SS..Hα-helixtrans-70.9-29.3174-61.9173.2-128.300111.8R49 D50 V51R49-E53 WeakPolarHBondContact CG-OE2 3.4Å; D50-E53 HydrophobicContact CB-CG 4.38Å; D50-E53 PolarHBondContact N-OE1 3.24Å; D50-E53 WeakPolarHBondContact O-CB 3.43Å; D50-E53 PolarHBondContact O-N 3.41Å; V51-E53 PolarHBondContact O-N 3.1Å
54L91.1Very high91.3Very high27 Ų2767.4 Ų67.414%0.14141%0.414CS..Hα-helixtrans-78.6-37.2175.5-175.267.1000111.6L6 V51 S52 A71 V72L6-L54 HydrophobicContact CD1-CD1 4Å; L6-L54 HydrophobicContact CD1-CD2 4.19Å; V51-L54 WeakPolarHBondContact O-CA 3.2Å; V51-L54 WeakPolarHBondContact O-CB 3.31Å; V51-L54 PolarHBondContact O-N 2.89Å; S52-L54 VanDerWaalsContact C-N 3.3Å; L54-A71 HydrophobicContact CG-CB 4.15Å; L54-A71 WeakPolarHBondContact O-CB 3.19Å; L54-V72 HydrophobicContact CD2-CG2 4.1Å
55T92.4Very high90.9Very high11 Ų1167.6 Ų67.67%0.06741%0.41CS..Hα-helixtrans-91.4-21.2-174.363.50000113.5V51 S52 H57 H69 V72V51-T55 HydrophobicContact CG1-CG2 3.88Å; V51-T55 WeakPolarHBondContact O-CG2 3.21Å; V51-T55 PolarHBondContact O-N 2.94Å; V51-T55 PolarHBondContact O-OG1 3.45Å; S52-T55 WeakPolarHBondContact CA-OG1 3.42Å; S52-T55 PolarHBondContact O-OG1 3.16Å; T55-H57 PolarHBondContact O-N 2.98Å; T55-H57 PolarHBondContact O-ND1 2.91Å; T55-H57 PolarHBondContact OG1-N 2.86Å; T55-H57 VanDerWaalsContact OG1-N 3.08Å; T55-H57 PolarHBondContact OG1-O 3.33Å; T55-H57 VanDerWaalsContact OG1-O 3.09Å; T55-H69 HydrophobicContact CG2-CB 3.53Å; T55-H69 PolarHBondContact O-CE1 2.88Å; T55-V72 HydrophobicContact CG2-CG2 3.87Å
56G92.4Very high90.6Very high67 Ų6766.5 Ų66.569%0.69139%0.386SS*.SBendtrans69.39.8-167.300000113.7S52S52-G56 WeakPolarHBondContact O-CA 3.32Å; S52-G56 PolarHBondContact O-N 2.91Å
57H90.9Very high90.4Very high113 Ų11365.3 Ų65.352%0.52338%0.38SS..  trans-125.6132.2-175.8-68.779.3000110.6S52 T55 H69S52-H57 VanDerWaalsContact CA-O 3.29Å; S52-H57 WeakPolarHBondContact CA-O 3.29Å; S52-H57 WeakPolarHBondContact CB-O 3.4Å; T55-H57 PolarHBondContact O-N 2.98Å; T55-H57 PolarHBondContact O-ND1 2.91Å; T55-H57 PolarHBondContact OG1-N 2.86Å; T55-H57 VanDerWaalsContact OG1-N 3.08Å; T55-H57 PolarHBondContact OG1-O 3.33Å; T55-H57 VanDerWaalsContact OG1-O 3.09Å; H57-H69 AromaticContact CE1-NE2 3.71Å; H57-H69 AromaticContact ND1-CD2 3.89Å; H57-H69 AromaticContact ND1-NE2 3.5Å; H57-H69 PolarHBondContact ND1-NE2 3.5Å
58P87.9Confident90.4Very high102 Ų10264.2 Ų64.266%0.66236%0.361SS*.  trans-68.8160.717431.2-35000111.1
59E86.8Confident90.4Very high93 Ų9365.3 Ų65.344%0.43537%0.365SS..  trans-60.1138166.5177.1170148.400110.5G63 K66E59-G63 VanDerWaalsContact CD-CA 3.46Å; E59-G63 WeakPolarHBondContact OE1-CA 3.12Å; E59-G63 PolarHBondContact OE1-N 2.7Å; E59-K66 HydrophobicContact CB-CB 4.27Å; E59-K66 HydrophobicContact CG-CB 4.05Å
60M87Confident90.4Very high105 Ų10564.9 Ų64.952%0.51737%0.374SS..BIsolated β-bridgetrans-134.6166-179.367.9-179-68.100112.7G62 G63 V65M60-G62 PolarHBondContact O-N 3.04Å; M60-G63 PolarHBondContact O-N 2.86Å; M60-V65 HydrophobicContact CG-CB 3.79Å; M60-V65 HydrophobicContact CG-CG1 4.25Å; M60-V65 PolarHBondContact N-O 3.43Å; M60-V65 PolarHBondContact O-N 3.31Å
61L89.5Confident90.6Very high115 Ų11563 Ų6360%0.60236%0.364SS*.G310 helixtrans55.845.9179.2-53.9175.8000112.7G63 R64 V65L61-G63 PolarHBondContact O-N 2.94Å; L61-R64 HydrophobicContact CB-CB 4.18Å; L61-R64 WeakPolarHBondContact O-CB 3.4Å; L61-R64 WeakPolarHBondContact O-CD 3.23Å; L61-R64 VanDerWaalsContact O-CG 3.26Å; L61-R64 WeakPolarHBondContact O-CG 3.17Å; L61-R64 PolarHBondContact O-N 2.88Å; L61-V65 HydrophobicContact CD1-CG2 4.16Å
62G81.9Confident90.8Very high83 Ų8362.7 Ų62.786%0.85636%0.362SS*.G310 helixtrans64.922.7178.100000114.5M60M60-G62 PolarHBondContact O-N 3.04Å
63G83.2Confident91Very high13 Ų1361.7 Ų61.713%0.13435%0.352CS..G310 helixtrans97.80.517800000116.5E59 M60 L61 V65E59-G63 VanDerWaalsContact CD-CA 3.46Å; E59-G63 WeakPolarHBondContact OE1-CA 3.12Å; E59-G63 PolarHBondContact OE1-N 2.7Å; M60-G63 PolarHBondContact O-N 2.86Å; L61-G63 PolarHBondContact O-N 2.94Å; G63-V65 VanDerWaalsContact C-N 3.29Å; G63-V65 PolarHBondContact O-N 3.48Å
64R85.9Confident91.3Very high139 Ų13957.3 Ų57.353%0.52534%0.338SS..THydrogen-bonded Turntrans-63.4-34.3174.2-67.6172.8167.6-142.713.1112.6L61 E122L61-R64 HydrophobicContact CB-CB 4.18Å; L61-R64 WeakPolarHBondContact O-CB 3.4Å; L61-R64 WeakPolarHBondContact O-CD 3.23Å; L61-R64 VanDerWaalsContact O-CG 3.26Å; L61-R64 WeakPolarHBondContact O-CG 3.17Å; L61-R64 PolarHBondContact O-N 2.88Å; R64-E122 IonicContact CZ-OE1 3.58Å; R64-E122 IonicContact CZ-OE2 3.8Å; R64-E122 IonicContact NE-OE1 2.85Å; R64-E122 PolarHBondContact NE-OE1 3.26Å; R64-E122 IonicContact NE-OE2 3.72Å; R64-E122 IonicContact NH2-OE1 3.79Å; R64-E122 PolarHBondContact NH2-OE1 3.13Å; R64-E122 IonicContact NH2-OE2 2.85Å; R64-E122 PolarHBondContact NH2-OE2 3.04Å
65V89.8Confident91.6Very high48 Ų4856 Ų5629%0.29133%0.331SS..BIsolated β-bridgetrans-124.3103.1-179.1-174.40000109.5M60 L61 G63 L68M60-V65 HydrophobicContact CG-CB 3.79Å; M60-V65 HydrophobicContact CG-CG1 4.25Å; M60-V65 PolarHBondContact N-O 3.43Å; M60-V65 PolarHBondContact O-N 3.31Å; L61-V65 HydrophobicContact CD1-CG2 4.16Å; G63-V65 VanDerWaalsContact C-N 3.29Å; G63-V65 PolarHBondContact O-N 3.48Å; V65-L68 HydrophobicContact CG1-CB 4.45Å
66K89.3Confident91.9Very high46 Ų4655.5 Ų55.520%0.233%0.328CS..SBendtrans-137.6-38.8177.957.1-170.8176.3-170.60113.8V51 E59V51-K66 VanDerWaalsContact CG1-O 3.26Å; V51-K66 WeakPolarHBondContact CG1-O 3.12Å; E59-K66 HydrophobicContact CB-CB 4.27Å; E59-K66 HydrophobicContact CG-CB 4.05Å
67T92.8Very high92.2Very high2 Ų255.4 Ų55.41%0.01231%0.311CS..SBendtrans-107.5-10.4-175.751.10000114V51 H69 V72 H73 L131V51-T67 HydrophobicContact CG1-CG2 4.27Å; V51-T67 HydrophobicContact CG2-CG2 4.28Å; T67-H69 PolarHBondContact O-N 2.84Å; T67-V72 WeakPolarHBondContact O-CB 3.26Å; T67-H73 PolarHBondContact O-NE2 2.98Å; T67-L131 HydrophobicContact CG2-CD1 3.94Å
68L95.4Very high92.5Very high69 Ų6950.4 Ų50.436%0.36129%0.289SS..  trans-76.667.2-178.9-62.7173.6000111.3V65 I126 T130V65-L68 HydrophobicContact CG1-CB 4.45Å; L68-I126 HydrophobicContact CD1-CG2 3.97Å; L68-T130 HydrophobicContact CD2-CG2 4.09Å
69H96.7Very high92.9Very high39 Ų3952.5 Ų52.518%0.18128%0.284CS..SBendtrans-139.9145.4-177.3-170.7-94000111.6T55 H57 T67 A71 V72 H73T55-H69 HydrophobicContact CG2-CB 3.53Å; T55-H69 PolarHBondContact O-CE1 2.88Å; H57-H69 AromaticContact CE1-NE2 3.71Å; H57-H69 AromaticContact ND1-CD2 3.89Å; H57-H69 AromaticContact ND1-NE2 3.5Å; H57-H69 PolarHBondContact ND1-NE2 3.5Å; T67-H69 PolarHBondContact O-N 2.84Å; H69-A71 VanDerWaalsContact C-N 3.25Å; H69-A71 VanDerWaalsContact ND1-CB 3.29Å; H69-A71 WeakPolarHBondContact ND1-CB 3.33Å; H69-A71 PolarHBondContact ND1-N 3.35Å; H69-A71 PolarHBondContact O-N 2.81Å; H69-V72 PolarHBondContact O-N 2.84Å; H69-H73 PolarHBondContact O-N 3.48Å; H69-H73 VanDerWaalsContact O-N 3.08Å
70P96.8Very high93.2Very high80 Ų8056.3 Ų56.352%0.51930%0.299SS..Hα-helixtrans-55.9-34178.4-28.836.6000114.6V72 H73 G74 Y93P70-V72 PolarHBondContact O-N 3.1Å; P70-H73 PolarHBondContact O-N 3.3Å; P70-G74 VanDerWaalsContact O-CA 3.26Å; P70-G74 WeakPolarHBondContact O-CA 3.32Å; P70-G74 PolarHBondContact O-N 3.1Å; P70-Y93 HydrophobicContact CB-CE2 4.08Å
71A95.8Very high93.6Very high0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-59.8-35.4176.200000113.1L54 H69 Y93L54-A71 HydrophobicContact CG-CB 4.15Å; L54-A71 WeakPolarHBondContact O-CB 3.19Å; H69-A71 VanDerWaalsContact C-N 3.25Å; H69-A71 VanDerWaalsContact ND1-CB 3.29Å; H69-A71 WeakPolarHBondContact ND1-CB 3.33Å; H69-A71 PolarHBondContact ND1-N 3.35Å; H69-A71 PolarHBondContact O-N 2.81Å; A71-Y93 HydrophobicContact CB-CD1 3.78Å; A71-Y93 HydrophobicContact CB-CE1 3.46Å; A71-Y93 VanDerWaalsContact CB-CE1 3.46Å; A71-Y93 HydrophobicContact CB-CE2 4.25Å; A71-Y93 HydrophobicContact CB-CG 4.31Å
72V97.1Very high93.8Very high0 Ų051.8 Ų51.80%029%0.293CS..Hα-helixtrans-78.2-56.1177.5176.90000109.8L8 V51 L54 T55 T67 H69 P70 G74 G75 I76 L131L8-V72 HydrophobicContact CD2-CG1 3.65Å; V51-V72 HydrophobicContact CG1-CG2 3.93Å; L54-V72 HydrophobicContact CD2-CG2 4.1Å; T55-V72 HydrophobicContact CG2-CG2 3.87Å; T67-V72 WeakPolarHBondContact O-CB 3.26Å; H69-V72 PolarHBondContact O-N 2.84Å; P70-V72 PolarHBondContact O-N 3.1Å; V72-G74 PolarHBondContact O-N 3.48Å; V72-G75 PolarHBondContact O-N 3.06Å; V72-I76 HydrophobicContact CG1-CD1 4.04Å; V72-I76 WeakPolarHBondContact O-CG1 3.18Å; V72-I76 PolarHBondContact O-N 2.75Å; V72-I76 VanDerWaalsContact O-N 3.1Å; V72-L131 HydrophobicContact CG1-CD2 3.65Å
73H97.9Very high94.5Very high28 Ų2851.1 Ų51.113%0.1328%0.275CS..Hα-helixtrans-73.7-29.7-173.3-69.2-64.8000113.4T67 H69 P70 I76 L77 T130T67-H73 PolarHBondContact O-NE2 2.98Å; H69-H73 PolarHBondContact O-N 3.48Å; H69-H73 VanDerWaalsContact O-N 3.08Å; P70-H73 PolarHBondContact O-N 3.3Å; H73-I76 PolarHBondContact O-N 3.38Å; H73-L77 HydrophobicContact CB-CD1 4.4Å; H73-L77 WeakPolarHBondContact O-CB 3.48Å; H73-L77 WeakPolarHBondContact O-CG 3.41Å; H73-L77 PolarHBondContact O-N 2.94Å; H73-T130 WeakPolarHBondContact CE1-CG2 3.27Å
74G97.1Very high95.2Very high24 Ų2451.7 Ų51.725%0.24728%0.275CS..Hα-helixtrans-62.4-45.6169.100000111.1P70 V72 I76 L77 A78P70-G74 VanDerWaalsContact O-CA 3.26Å; P70-G74 WeakPolarHBondContact O-CA 3.32Å; P70-G74 PolarHBondContact O-N 3.1Å; V72-G74 PolarHBondContact O-N 3.48Å; G74-I76 VanDerWaalsContact C-N 3.26Å; G74-I76 PolarHBondContact O-N 2.99Å; G74-L77 PolarHBondContact O-N 3.39Å; G74-A78 WeakPolarHBondContact O-CB 3.12Å; G74-A78 PolarHBondContact O-N 2.87Å
75G97.2Very high95.6Very high0 Ų047.8 Ų47.80%027%0.269CS..Hα-helixtrans-58.8-35.5173.400000113.8V72 S94 V96 R141V72-G75 PolarHBondContact O-N 3.06Å; G75-S94 VanDerWaalsContact CA-O 3.23Å; G75-S94 WeakPolarHBondContact CA-O 3.41Å; G75-V96 PolarHBondContact O-N 2.85Å; G75-R141 PolarHBondContact O-NH2 3.18Å
76I98.4Very high95.9Very high0 Ų048 Ų480%028%0.276CS..Hα-helixtrans-79.3-44.4177.5-63.5168000111.9L8 V72 H73 G74 V96 V99 L131 A134 A135 N138 R141 V142L8-I76 HydrophobicContact CD2-CD1 4.07Å; V72-I76 HydrophobicContact CG1-CD1 4.04Å; V72-I76 WeakPolarHBondContact O-CG1 3.18Å; V72-I76 PolarHBondContact O-N 2.75Å; V72-I76 VanDerWaalsContact O-N 3.1Å; H73-I76 PolarHBondContact O-N 3.38Å; G74-I76 VanDerWaalsContact C-N 3.26Å; G74-I76 PolarHBondContact O-N 2.99Å; I76-V96 HydrophobicContact CG1-CB 3.94Å; I76-V96 HydrophobicContact CG1-CG1 4.08Å; I76-V96 HydrophobicContact CG1-CG2 4.16Å; I76-V99 HydrophobicContact CD1-CG2 3.93Å; I76-V99 HydrophobicContact CG1-CG2 3.89Å; I76-L131 HydrophobicContact CD1-CD2 3.66Å; I76-A134 HydrophobicContact CG2-CB 3.83Å; I76-A135 HydrophobicContact CG2-CB 4.01Å; I76-N138 PolarHBondContact O-ND2 3.49Å; I76-R141 PolarHBondContact O-NH2 2.72Å; I76-V142 HydrophobicContact CG2-CG2 4.47Å; I76-V142 VanDerWaalsContact O-CG2 3.3Å; I76-V142 WeakPolarHBondContact O-CG2 3.29Å
77L98.4Very high96.3Very high65 Ų6550.2 Ų50.234%0.3429%0.29SS..Hα-helixtrans-92-17.1-168.2-68.2171.2000114.1H73 G74 R79 A134 K137 N138H73-L77 HydrophobicContact CB-CD1 4.4Å; H73-L77 WeakPolarHBondContact O-CB 3.48Å; H73-L77 WeakPolarHBondContact O-CG 3.41Å; H73-L77 PolarHBondContact O-N 2.94Å; G74-L77 PolarHBondContact O-N 3.39Å; L77-R79 PolarHBondContact O-N 3.4Å; L77-A134 HydrophobicContact CD1-CB 4.45Å; L77-A134 HydrophobicContact CD2-CB 3.98Å; L77-A134 WeakPolarHBondContact CD2-O 3.24Å; L77-A134 HydrophobicContact CG-CB 4.17Å; L77-K137 HydrophobicContact CD2-CD 4.16Å; L77-N138 HydrophobicContact CD2-CB 4.5Å; L77-N138 PolarHBondContact O-ND2 3.38Å
78A97.9Very high96.4Very high7 Ų751 Ų516%0.05829%0.293CS..  trans-56.6133.7177.400000111.1G74 D84 M88 L95 N138 R141G74-A78 WeakPolarHBondContact O-CB 3.12Å; G74-A78 PolarHBondContact O-N 2.87Å; A78-D84 HydrophobicContact CB-CB 4.42Å; A78-M88 HydrophobicContact CB-CE 4.41Å; A78-M88 HydrophobicContact CB-CG 3.81Å; A78-M88 HydrophobicContact CB-SD 3.89Å; A78-L95 HydrophobicContact CB-CD2 3.66Å; A78-N138 PolarHBondContact O-ND2 3.12Å; A78-R141 PolarHBondContact O-NE 3.05Å; A78-R141 PolarHBondContact O-NH2 3.5Å
79R96.9Very high96.4Very high146 Ų14654.8 Ų54.855%0.55131%0.31SS*.  trans-94.7162.3176.9-58.9165-64.3170.85.1109.8L77 S81 D84L77-R79 PolarHBondContact O-N 3.4Å; R79-S81 PolarHBondContact O-N 2.88Å; R79-D84 VanDerWaalsContact CB-OD2 3.32Å; R79-D84 WeakPolarHBondContact CB-OD2 3.3Å; R79-D84 IonicContact CZ-OD1 3.72Å; R79-D84 IonicContact CZ-OD2 3.69Å; R79-D84 PolarHBondContact N-OD2 2.96Å; R79-D84 IonicContact NE-OD1 3.73Å; R79-D84 IonicContact NE-OD2 2.94Å; R79-D84 PolarHBondContact NE-OD2 3.05Å; R79-D84 IonicContact NH2-OD1 2.85Å; R79-D84 PolarHBondContact NH2-OD1 2.81Å; R79-D84 IonicContact NH2-OD2 3.54Å
80K92.2Very high96.3Very high173 Ų17361 Ų6175%0.75234%0.336SS*.SBendtrans-75.672.2170.6-63.7-174.3178.6-1780109.7
81S95.2Very high96.2Very high36 Ų3661.6 Ų61.625%0.25233%0.334SS..SBendtrans-139.1149.8179.870.40000110.7R79 S83 D84 S85R79-S81 PolarHBondContact O-N 2.88Å; S81-S83 VanDerWaalsContact C-N 3.27Å; S81-S83 PolarHBondContact O-N 3.43Å; S81-S83 PolarHBondContact OG-OG 2.83Å; S81-D84 PolarHBondContact O-N 3.3Å; S81-D84 WeakPolarHBondContact OG-CB 3.46Å; S81-D84 VanDerWaalsContact OG-CG 3.28Å; S81-D84 PolarHBondContact OG-N 3.29Å; S81-D84 PolarHBondContact OG-OD1 3.27Å; S81-S85 WeakPolarHBondContact O-CB 3.45Å; S81-S85 PolarHBondContact O-N 2.87Å; S81-S85 PolarHBondContact O-OG 3Å
82A94.9Very high96.2Very high89 Ų8972.4 Ų72.474%0.73638%0.375SS*.Hα-helixtrans-58.2-37.5-17700000113.2A86A82-A86 WeakPolarHBondContact O-CB 3.35Å; A82-A86 PolarHBondContact O-N 2.87Å; A82-A86 VanDerWaalsContact O-N 3.07Å
83S96.4Very high96Very high70 Ų7075 Ų7549%0.4939%0.385SS..Hα-helixtrans-64.1-51.9176.854.40000111.9S81 S85 A86 D87S81-S83 VanDerWaalsContact C-N 3.27Å; S81-S83 PolarHBondContact O-N 3.43Å; S81-S83 PolarHBondContact OG-OG 2.83Å; S83-S85 VanDerWaalsContact C-N 3.31Å; S83-S85 PolarHBondContact O-N 2.87Å; S83-A86 PolarHBondContact O-N 2.84Å; S83-D87 PolarHBondContact O-N 2.81Å; S83-D87 VanDerWaalsContact O-N 3.1Å
84D97.5Very high95.8Very high25 Ų2575.2 Ų75.213%0.13439%0.39CS..Hα-helixtrans-66.7-36.9-177.1-66.425000110.2A78 R79 S81 D87 M88A78-D84 HydrophobicContact CB-CB 4.42Å; R79-D84 VanDerWaalsContact CB-OD2 3.32Å; R79-D84 WeakPolarHBondContact CB-OD2 3.3Å; R79-D84 IonicContact CZ-OD1 3.72Å; R79-D84 IonicContact CZ-OD2 3.69Å; R79-D84 PolarHBondContact N-OD2 2.96Å; R79-D84 IonicContact NE-OD1 3.73Å; R79-D84 IonicContact NE-OD2 2.94Å; R79-D84 PolarHBondContact NE-OD2 3.05Å; R79-D84 IonicContact NH2-OD1 2.85Å; R79-D84 PolarHBondContact NH2-OD1 2.81Å; R79-D84 IonicContact NH2-OD2 3.54Å; S81-D84 PolarHBondContact O-N 3.3Å; S81-D84 WeakPolarHBondContact OG-CB 3.46Å; S81-D84 VanDerWaalsContact OG-CG 3.28Å; S81-D84 PolarHBondContact OG-N 3.29Å; S81-D84 PolarHBondContact OG-OD1 3.27Å; D84-D87 PolarHBondContact O-N 3.32Å; D84-M88 WeakPolarHBondContact O-CB 3.4Å; D84-M88 WeakPolarHBondContact O-CG 3.42Å; D84-M88 PolarHBondContact O-N 3.44Å
85S94.7Very high95.9Very high56 Ų5676 Ų7639%0.39239%0.388SS..Hα-helixtrans-60.3-44.3173.4-69.90000112.3S81 S83 D87 M88 E89S81-S85 WeakPolarHBondContact O-CB 3.45Å; S81-S85 PolarHBondContact O-N 2.87Å; S81-S85 PolarHBondContact O-OG 3Å; S83-S85 VanDerWaalsContact C-N 3.31Å; S83-S85 PolarHBondContact O-N 2.87Å; S85-D87 VanDerWaalsContact C-N 3.34Å; S85-D87 PolarHBondContact O-N 3.14Å; S85-M88 PolarHBondContact O-N 2.75Å; S85-E89 WeakPolarHBondContact O-CB 3.37Å; S85-E89 WeakPolarHBondContact O-CG 3.39Å; S85-E89 PolarHBondContact O-N 3.08Å
86A95.5Very high95.9Very high53 Ų5376 Ų7644%0.43839%0.388SS..Hα-helixtrans-63-40.1177.800000112.2A82 S83 K90A82-A86 WeakPolarHBondContact O-CB 3.35Å; A82-A86 PolarHBondContact O-N 2.87Å; A82-A86 VanDerWaalsContact O-N 3.07Å; S83-A86 PolarHBondContact O-N 2.84Å; A86-K90 VanDerWaalsContact O-CB 3.23Å; A86-K90 WeakPolarHBondContact O-CB 3.39Å; A86-K90 PolarHBondContact O-N 3.12Å
87D97Very high95.9Very high92 Ų9277.2 Ų77.249%0.49239%0.393SS..Hα-helixtrans-65.3-44.1175.8-75.6-27.2000111.9S83 D84 S85 E89 K90 L91S83-D87 PolarHBondContact O-N 2.81Å; S83-D87 VanDerWaalsContact O-N 3.1Å; D84-D87 PolarHBondContact O-N 3.32Å; S85-D87 VanDerWaalsContact C-N 3.34Å; S85-D87 PolarHBondContact O-N 3.14Å; D87-E89 PolarHBondContact O-N 3.48Å; D87-K90 PolarHBondContact O-N 3.12Å; D87-L91 WeakPolarHBondContact O-CB 3.39Å; D87-L91 WeakPolarHBondContact O-CG 3.33Å; D87-L91 PolarHBondContact O-N 3.34Å
88M95.9Very high95.9Very high18 Ų1874.1 Ų74.19%0.08938%0.376CS..Hα-helixtrans-63.5-41.3178.3-68.5-63.5-7100111.8A78 D84 S85 R92 Y93 S94 L95A78-M88 HydrophobicContact CB-CE 4.41Å; A78-M88 HydrophobicContact CB-CG 3.81Å; A78-M88 HydrophobicContact CB-SD 3.89Å; D84-M88 WeakPolarHBondContact O-CB 3.4Å; D84-M88 WeakPolarHBondContact O-CG 3.42Å; D84-M88 PolarHBondContact O-N 3.44Å; S85-M88 PolarHBondContact O-N 2.75Å; M88-R92 WeakPolarHBondContact O-CA 3.37Å; M88-R92 PolarHBondContact O-N 3.49Å; M88-Y93 PolarHBondContact O-N 3.43Å; M88-Y93 HydrophobicContact SD-CD2 4.34Å; M88-S94 WeakPolarHBondContact CE-O 3.43Å; M88-L95 HydrophobicContact CE-CD2 4.09Å
89E94.7Very high96Very high150 Ų15073.8 Ų73.870%0.70137%0.374SS*.Hα-helixtrans-65.5-46.9175-75.7176.4-169.500111.9S85 D87 L91 R92S85-E89 WeakPolarHBondContact O-CB 3.37Å; S85-E89 WeakPolarHBondContact O-CG 3.39Å; S85-E89 PolarHBondContact O-N 3.08Å; D87-E89 PolarHBondContact O-N 3.48Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.25Å; E89-R92 PolarHBondContact O-N 3.05Å; E89-R92 VanDerWaalsContact O-N 3.07Å
90K95.5Very high96Very high169 Ų16966.8 Ų66.874%0.73535%0.347SS*.Hα-helixtrans-57.9-42.8178.9-179.6-178177.7-176.30111.9A86 D87 R92A86-K90 VanDerWaalsContact O-CB 3.23Å; A86-K90 WeakPolarHBondContact O-CB 3.39Å; A86-K90 PolarHBondContact O-N 3.12Å; D87-K90 PolarHBondContact O-N 3.12Å; K90-R92 VanDerWaalsContact C-N 3.33Å
91L94.8Very high96.3Very high93 Ų9358.6 Ų58.649%0.48731%0.312SS..Hα-helixtrans-87-4.3179.8-64.4173.5000113.2D87 E89 Y93D87-L91 WeakPolarHBondContact O-CB 3.39Å; D87-L91 WeakPolarHBondContact O-CG 3.33Å; D87-L91 PolarHBondContact O-N 3.34Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 3.25Å; L91-Y93 HydrophobicContact CB-CD1 4.17Å; L91-Y93 HydrophobicContact CB-CD2 3.82Å; L91-Y93 HydrophobicContact CB-CE1 4.16Å; L91-Y93 HydrophobicContact CB-CE2 3.83Å; L91-Y93 HydrophobicContact CB-CG 4.01Å; L91-Y93 HydrophobicContact CD1-CD2 4.14Å; L91-Y93 HydrophobicContact CD1-CE2 3.75Å; L91-Y93 HydrophobicContact CG-CE2 4.38Å; L91-Y93 VanDerWaalsContact O-CD1 3.28Å; L91-Y93 WeakPolarHBondContact O-CD1 3.31Å; L91-Y93 WeakPolarHBondContact O-CE1 3.2Å; L91-Y93 PolarHBondContact O-N 3.31Å
92R93.9Very high96.3Very high227 Ų22757.5 Ų57.586%0.85730%0.303SS*.THydrogen-bonded Turntrans55.937.9-177.2-53.9179.6-178.4176.8-0.1112.8M88 E89 K90M88-R92 WeakPolarHBondContact O-CA 3.37Å; M88-R92 PolarHBondContact O-N 3.49Å; E89-R92 PolarHBondContact O-N 3.05Å; E89-R92 VanDerWaalsContact O-N 3.07Å; K90-R92 VanDerWaalsContact C-N 3.33Å
93Y94.5Very high96.3Very high55 Ų5553.9 Ų53.922%0.21627%0.271CS..PPolyproline II helixtrans-89.6148.5176.2-65.7-16.2000111P70 A71 M88 L91P70-Y93 HydrophobicContact CB-CE2 4.08Å; A71-Y93 HydrophobicContact CB-CD1 3.78Å; A71-Y93 HydrophobicContact CB-CE1 3.46Å; A71-Y93 VanDerWaalsContact CB-CE1 3.46Å; A71-Y93 HydrophobicContact CB-CE2 4.25Å; A71-Y93 HydrophobicContact CB-CG 4.31Å; M88-Y93 PolarHBondContact O-N 3.43Å; M88-Y93 HydrophobicContact SD-CD2 4.34Å; L91-Y93 HydrophobicContact CB-CD1 4.17Å; L91-Y93 HydrophobicContact CB-CD2 3.82Å; L91-Y93 HydrophobicContact CB-CE1 4.16Å; L91-Y93 HydrophobicContact CB-CE2 3.83Å; L91-Y93 HydrophobicContact CB-CG 4.01Å; L91-Y93 HydrophobicContact CD1-CD2 4.14Å; L91-Y93 HydrophobicContact CD1-CE2 3.75Å; L91-Y93 HydrophobicContact CG-CE2 4.38Å; L91-Y93 VanDerWaalsContact O-CD1 3.28Å; L91-Y93 WeakPolarHBondContact O-CD1 3.31Å; L91-Y93 WeakPolarHBondContact O-CE1 3.2Å; L91-Y93 PolarHBondContact O-N 3.31Å
94S93.9Very high95.7Very high31 Ų3154.8 Ų54.822%0.21727%0.265CS..PPolyproline II helixtrans-99.2147.8175.1-53.50000110.7G75 M88G75-S94 VanDerWaalsContact CA-O 3.23Å; G75-S94 WeakPolarHBondContact CA-O 3.41Å; M88-S94 WeakPolarHBondContact CE-O 3.43Å
95L97.3Very high95.1Very high41 Ų4156.4 Ų56.422%0.21528%0.277CS..PPolyproline II helixtrans-70.6139.3172.5-67174.1000110.7E5 L6 A78 M88E5-L95 HydrophobicContact CG-CB 4.35Å; L6-L95 PolarHBondContact N-O 3.05Å; A78-L95 HydrophobicContact CB-CD2 3.66Å; M88-L95 HydrophobicContact CE-CD2 4.09Å
96V98.3Very high95Very high1 Ų153.8 Ų53.81%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-99.5114.3171.5179.90000107.5L6 L8 G75 I76 V98 V99 R141L6-V96 HydrophobicContact CB-CG2 4.2Å; L6-V96 HydrophobicContact CD1-CG2 4.34Å; L6-V96 CarbonylContact O-C 3.47Å; L8-V96 HydrophobicContact CB-CG1 3.85Å; G75-V96 PolarHBondContact O-N 2.85Å; I76-V96 HydrophobicContact CG1-CB 3.94Å; I76-V96 HydrophobicContact CG1-CG1 4.08Å; I76-V96 HydrophobicContact CG1-CG2 4.16Å; V96-V98 VanDerWaalsContact CG1-O 3.31Å; V96-V98 WeakPolarHBondContact CG1-O 3.3Å; V96-V99 HydrophobicContact CG1-CG2 3.61Å; V96-R141 PolarHBondContact O-NH1 3.38Å
97R98.4Very high94.6Very high24 Ų2455.4 Ų55.49%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-86.9-38.9178.5-176.2166.574-146.315.7111.8E5 L6 L29 V142 T143 K164E5-R97 HydrophobicContact CB-CB 4.1Å; E5-R97 VanDerWaalsContact OE2-CD 3.3Å; E5-R97 WeakPolarHBondContact OE2-CD 3.47Å; E5-R97 IonicContact OE2-CZ 3.26Å; E5-R97 IonicContact OE2-NE 2.7Å; E5-R97 IonicContact OE2-NH1 2.72Å; E5-R97 PolarHBondContact OE2-NH1 3.42Å; L6-R97 PolarHBondContact O-N 3.43Å; L29-R97 HydrophobicContact CD2-CB 4.12Å; L29-R97 VanDerWaalsContact CD2-CZ 3.45Å; R97-V142 WeakPolarHBondContact O-CA 3.4Å; R97-T143 PolarHBondContact O-N 3.14Å; R97-K164 PolarHBondContact NH2-O 2.91Å
98V98.8Very high94.3Very high0 Ų058.5 Ų58.50%027%0.271CS..EExtended strand (participates in β ladder)trans-122.3133.8-177.9-177.10000110L6 A7 L8 L24 L29 V96 V100 T143 M158L6-V98 PolarHBondContact O-N 3.23Å; A7-V98 CarbonylContact C-O 3.6Å; A7-V98 WeakPolarHBondContact CA-O 3.14Å; A7-V98 HydrophobicContact CB-CB 4.2Å; L8-V98 PolarHBondContact N-O 3.37Å; L24-V98 HydrophobicContact CD1-CG1 4.26Å; L24-V98 HydrophobicContact CD2-CG1 4.23Å; L24-V98 HydrophobicContact CD2-CG2 4.14Å; L29-V98 HydrophobicContact CD1-CB 4.29Å; L29-V98 HydrophobicContact CD1-CG2 3.59Å; V96-V98 VanDerWaalsContact CG1-O 3.31Å; V96-V98 WeakPolarHBondContact CG1-O 3.3Å; V98-V100 HydrophobicContact CG1-CG2 3.84Å; V98-T143 CarbonylContact C-O 3.55Å; V98-T143 WeakPolarHBondContact CA-O 3.28Å; V98-M158 HydrophobicContact CG2-CE 3.93Å; V98-M158 HydrophobicContact CG2-SD 4.18Å
99V98.8Very high94Very high0 Ų058.8 Ų58.80%027%0.274CS..EExtended strand (participates in β ladder)trans-121.3118.3170.9175.50000108.2L8 I76 V96 C101 L131 A135 V142 T143 I144 V145L8-V99 HydrophobicContact CB-CG2 4.45Å; L8-V99 CarbonylContact O-C 3.52Å; L8-V99 WeakPolarHBondContact O-CA 3.19Å; I76-V99 HydrophobicContact CD1-CG2 3.93Å; I76-V99 HydrophobicContact CG1-CG2 3.89Å; V96-V99 HydrophobicContact CG1-CG2 3.61Å; V99-C101 HydrophobicContact CG1-CB 4.37Å; V99-L131 HydrophobicContact CG1-CB 4.26Å; V99-A135 HydrophobicContact CB-CB 3.82Å; V99-A135 HydrophobicContact CG1-CB 4.15Å; V99-A135 HydrophobicContact CG2-CB 3.87Å; V99-V142 HydrophobicContact CG2-CG1 3.99Å; V99-T143 PolarHBondContact N-O 2.98Å; V99-I144 HydrophobicContact CB-CD1 3.88Å; V99-I144 HydrophobicContact CG1-CD1 3.67Å; V99-I144 CarbonylContact O-C 3.56Å; V99-I144 WeakPolarHBondContact O-CA 3.4Å; V99-I144 WeakPolarHBondContact O-CD1 3.48Å; V99-V145 PolarHBondContact O-N 3.18Å
100V98.6Very high93.7Very high0 Ų053.9 Ų53.90%025%0.252CS..EExtended strand (participates in β ladder)trans-111110.5176.9-167.80000107.9L8 L9 S10 V11 F20 L24 V98 V145 Y151L8-V100 PolarHBondContact O-N 3.3Å; L9-V100 CarbonylContact C-O 3.58Å; L9-V100 WeakPolarHBondContact CA-O 3.3Å; L9-V100 HydrophobicContact CB-CB 4.42Å; L9-V100 HydrophobicContact CD2-CB 4.19Å; L9-V100 HydrophobicContact CD2-CG2 4.09Å; L9-V100 HydrophobicContact CG-CB 4.07Å; L9-V100 HydrophobicContact CG-CG2 4.08Å; S10-V100 PolarHBondContact N-O 3.1Å; V11-V100 HydrophobicContact CG1-CG1 3.96Å; F20-V100 HydrophobicContact CD1-CG1 4.36Å; F20-V100 HydrophobicContact CD1-CG2 4.12Å; F20-V100 HydrophobicContact CE1-CG1 4.32Å; F20-V100 HydrophobicContact CE1-CG2 3.6Å; L24-V100 HydrophobicContact CD1-CG2 4.29Å; V98-V100 HydrophobicContact CG1-CG2 3.84Å; V100-V145 WeakPolarHBondContact CA-O 3.43Å; V100-Y151 HydrophobicContact CG1-CE1 3.68Å; V100-Y151 WeakPolarHBondContact CG1-OH 3.44Å
101C98.1Very high93.4Very high1 Ų150.1 Ų50.11%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-149.5134.6-175.7179.20000110.9S10 V99 G128 L132 V145 C146S10-C101 VanDerWaalsContact O-CA 3.25Å; S10-C101 WeakPolarHBondContact O-CA 3.49Å; S10-C101 PolarHBondContact O-SG 3.24Å; V99-C101 HydrophobicContact CG1-CB 4.37Å; C101-G128 VanDerWaalsContact SG-CA 3.55Å; C101-L132 HydrophobicContact CB-CD2 3.72Å; C101-L132 HydrophobicContact CB-CG 4.34Å; C101-L132 VanDerWaalsContact O-CD2 3.27Å; C101-L132 WeakPolarHBondContact O-CD2 3.36Å; C101-V145 PolarHBondContact N-O 3.42Å; C101-C146 WeakPolarHBondContact O-CA 3.33Å; C101-C146 WeakPolarHBondContact O-CB 3.29Å
102N94.8Very high93.1Very high12 Ų1248.3 Ų48.36%0.06424%0.242CC..EExtended strand (participates in β ladder)trans-136.9147.5167.958.644.6000108.1V11 S12 D13 C146V11-N102 WeakPolarHBondContact CA-OD1 3.47Å; V11-N102 WeakPolarHBondContact CB-OD1 3.49Å; S12-N102 WeakPolarHBondContact CA-OD1 3.45Å; S12-N102 PolarHBondContact N-O 3.17Å; S12-N102 PolarHBondContact N-OD1 3.21Å; D13-N102 PolarHBondContact N-OD1 3.42Å; D13-N102 PolarHBondContact O-ND2 3.49Å; N102-C146 WeakPolarHBondContact CB-O 3.37Å
103L93.9Very high92.7Very high13 Ų1343 Ų437%0.06824%0.237CC..  trans-83.3161.8-164.5-55.1179.6000111.9S12 D125 G128 V129 L132 Y185S12-L103 VanDerWaalsContact CB-O 3.26Å; S12-L103 WeakPolarHBondContact CB-O 3.4Å; L103-D125 HydrophobicContact CD2-CB 4.27Å; L103-G128 VanDerWaalsContact CD2-C 3.5Å; L103-V129 HydrophobicContact CD1-CG2 3.71Å; L103-V129 HydrophobicContact CD2-CG2 3.86Å; L103-V129 HydrophobicContact CG-CG2 4.45Å; L103-L132 HydrophobicContact CD1-CD1 4.26Å; L103-L132 HydrophobicContact CD2-CD1 3.82Å; L103-L132 HydrophobicContact CG-CD1 3.99Å; L103-Y185 HydrophobicContact CB-CD2 4.24Å; L103-Y185 HydrophobicContact CB-CE2 3.99Å; L103-Y185 HydrophobicContact CD1-CD1 3.83Å; L103-Y185 HydrophobicContact CD1-CD2 3.61Å; L103-Y185 HydrophobicContact CD1-CE1 4.21Å; L103-Y185 HydrophobicContact CD1-CE2 4.05Å; L103-Y185 HydrophobicContact CD1-CG 3.5Å; L103-Y185 VanDerWaalsContact CD1-CG 3.5Å
104Y85.4Confident92.4Very high89 Ų8947.8 Ų47.835%0.34927%0.267SS..  trans-55.1141.3165.7-70.9-66.4000110.6F106 D125 Y185Y104-F106 PolarHBondContact O-N 3.32Å; Y104-D125 HydrophobicContact CD2-CB 3.97Å; Y104-Y185 WeakPolarHBondContact O-CE2 3.42Å
105P85.1Confident92.3Very high60 Ų6048.1 Ų48.139%0.3927%0.267SS..  trans-7968.9-172.135.5-38.1000110.7V107 K108 T109P105-V107 VanDerWaalsContact C-N 3.29Å; P105-V107 PolarHBondContact O-N 2.68Å; P105-K108 HydrophobicContact CB-CB 3.8Å; P105-K108 HydrophobicContact CB-CD 4.36Å; P105-K108 HydrophobicContact CG-CB 4.25Å; P105-K108 HydrophobicContact CG-CD 4.33Å; P105-K108 WeakPolarHBondContact O-CA 3.38Å; P105-K108 VanDerWaalsContact O-CB 3.25Å; P105-K108 WeakPolarHBondContact O-CB 3.4Å; P105-K108 PolarHBondContact O-N 3.25Å; P105-T109 PolarHBondContact O-N 3.39Å; P105-T109 PolarHBondContact O-OG1 2.64Å
106F92.1Very high92.1Very high1 Ų149 Ų490%0.00428%0.275CS..Hα-helixtrans-52-45.4-175-179.2-100.9000112.4Y104 K108 T109 I110 A120 I124 Y185 A188 I189 Y192Y104-F106 PolarHBondContact O-N 3.32Å; F106-K108 VanDerWaalsContact C-N 3.27Å; F106-K108 PolarHBondContact O-N 2.95Å; F106-T109 WeakPolarHBondContact O-CA 3.44Å; F106-T109 WeakPolarHBondContact O-CB 3.45Å; F106-T109 PolarHBondContact O-N 3.26Å; F106-I110 HydrophobicContact CD1-CD1 4.32Å; F106-I110 HydrophobicContact CD1-CG2 4.34Å; F106-I110 HydrophobicContact CD2-CG2 4.38Å; F106-I110 HydrophobicContact CE1-CD1 3.94Å; F106-I110 HydrophobicContact CE1-CG2 3.84Å; F106-I110 HydrophobicContact CE2-CG2 3.9Å; F106-I110 HydrophobicContact CZ-CG2 3.6Å; F106-I110 WeakPolarHBondContact O-CG1 2.85Å; F106-I110 PolarHBondContact O-N 3.04Å; F106-A120 HydrophobicContact CE2-CB 4.3Å; F106-A120 WeakPolarHBondContact CE2-O 3.25Å; F106-I124 HydrophobicContact CD2-CG1 4.16Å; F106-I124 HydrophobicContact CE2-CD1 4.48Å; F106-I124 HydrophobicContact CE2-CG1 3.85Å; F106-Y185 HydrophobicContact CB-CD2 4.35Å; F106-Y185 HydrophobicContact CB-CE2 3.51Å; F106-A188 HydrophobicContact CD1-CB 4.21Å; F106-I189 HydrophobicContact CD1-CG1 3.85Å; F106-I189 HydrophobicContact CD2-CG1 4.37Å; F106-I189 HydrophobicContact CE1-CB 4.27Å; F106-I189 HydrophobicContact CE1-CG1 3.69Å; F106-I189 HydrophobicContact CE2-CG1 4.23Å; F106-I189 HydrophobicContact CG-CG1 4.2Å; F106-I189 HydrophobicContact CZ-CB 4.45Å; F106-I189 HydrophobicContact CZ-CG1 3.89Å; F106-Y192 HydrophobicContact CZ-CD1 4.07Å; F106-Y192 HydrophobicContact CZ-CG 4.09Å
107V86.9Confident91.8Very high87 Ų8750.5 Ų50.553%0.52728%0.284SS..Hα-helixtrans-57.1-39.6175.4178.30000111.8P105 I110 S111 A188P105-V107 VanDerWaalsContact C-N 3.29Å; P105-V107 PolarHBondContact O-N 2.68Å; V107-I110 WeakPolarHBondContact O-CG1 3.33Å; V107-S111 WeakPolarHBondContact O-CB 3.4Å; V107-S111 PolarHBondContact O-N 2.93Å; V107-S111 PolarHBondContact O-OG 2.72Å; V107-A188 HydrophobicContact CG2-CB 3.93Å
108K89.8Confident91.6Very high156 Ų15656 Ų5668%0.67831%0.31SS*.Hα-helixtrans-69.5-39.9176.1-171.5-179.5177178.30111.4P105 F106 S111 S112P105-K108 HydrophobicContact CB-CB 3.8Å; P105-K108 HydrophobicContact CB-CD 4.36Å; P105-K108 HydrophobicContact CG-CB 4.25Å; P105-K108 HydrophobicContact CG-CD 4.33Å; P105-K108 WeakPolarHBondContact O-CA 3.38Å; P105-K108 VanDerWaalsContact O-CB 3.25Å; P105-K108 WeakPolarHBondContact O-CB 3.4Å; P105-K108 PolarHBondContact O-N 3.25Å; F106-K108 VanDerWaalsContact C-N 3.27Å; F106-K108 PolarHBondContact O-N 2.95Å; K108-S111 PolarHBondContact O-N 3.43Å; K108-S112 PolarHBondContact O-N 3.43Å; K108-S112 PolarHBondContact O-OG 3.25Å
109T89.4Confident91.2Very high24 Ų2459.9 Ų59.915%0.14733%0.331CS..Hα-helixtrans-59.3-55176.1-56.80000110.7P105 F106 S111 S112 V115 Q123P105-T109 PolarHBondContact O-N 3.39Å; P105-T109 PolarHBondContact O-OG1 2.64Å; F106-T109 WeakPolarHBondContact O-CA 3.44Å; F106-T109 WeakPolarHBondContact O-CB 3.45Å; F106-T109 PolarHBondContact O-N 3.26Å; T109-S111 PolarHBondContact O-N 3.19Å; T109-S112 VanDerWaalsContact O-CB 3.22Å; T109-S112 WeakPolarHBondContact O-CB 3.33Å; T109-S112 PolarHBondContact O-N 3.45Å; T109-S112 PolarHBondContact O-OG 3.04Å; T109-V115 HydrophobicContact CG2-CG2 3.98Å; T109-Q123 HydrophobicContact CG2-CB 3.98Å; T109-Q123 HydrophobicContact CG2-CG 3.58Å
110I90.3Very high90.9Very high47 Ų4759.9 Ų59.924%0.24133%0.331CS..Hα-helixtrans-69-16.1-177.566.9173.7000113.5F106 V107 S112 A120 Y192F106-I110 HydrophobicContact CD1-CD1 4.32Å; F106-I110 HydrophobicContact CD1-CG2 4.34Å; F106-I110 HydrophobicContact CD2-CG2 4.38Å; F106-I110 HydrophobicContact CE1-CD1 3.94Å; F106-I110 HydrophobicContact CE1-CG2 3.84Å; F106-I110 HydrophobicContact CE2-CG2 3.9Å; F106-I110 HydrophobicContact CZ-CG2 3.6Å; F106-I110 WeakPolarHBondContact O-CG1 2.85Å; F106-I110 PolarHBondContact O-N 3.04Å; V107-I110 WeakPolarHBondContact O-CG1 3.33Å; I110-S112 VanDerWaalsContact C-N 3.35Å; I110-A120 HydrophobicContact CG2-CB 3.95Å; I110-Y192 HydrophobicContact CB-CD2 4.01Å; I110-Y192 HydrophobicContact CB-CE2 4.11Å; I110-Y192 HydrophobicContact CD1-CD2 4.12Å; I110-Y192 HydrophobicContact CG2-CD2 3.74Å; I110-Y192 HydrophobicContact CG2-CE2 3.82Å; I110-Y192 HydrophobicContact CG2-CG 4.2Å
111S88.3Confident90.7Very high91 Ų9162.6 Ų62.664%0.63635%0.348SS*.THydrogen-bonded Turntrans-85.8-6.6173.1-58.20000113.3V107 K108 T109V107-S111 WeakPolarHBondContact O-CB 3.4Å; V107-S111 PolarHBondContact O-N 2.93Å; V107-S111 PolarHBondContact O-OG 2.72Å; K108-S111 PolarHBondContact O-N 3.43Å; T109-S111 PolarHBondContact O-N 3.19Å
112S89Confident90.3Very high54 Ų5466.7 Ų66.738%0.37837%0.367SS..SBendtrans-75.5139.7-178.4-60.80000110.8K108 T109 I110 N114 V115K108-S112 PolarHBondContact O-N 3.43Å; K108-S112 PolarHBondContact O-OG 3.25Å; T109-S112 VanDerWaalsContact O-CB 3.22Å; T109-S112 WeakPolarHBondContact O-CB 3.33Å; T109-S112 PolarHBondContact O-N 3.45Å; T109-S112 PolarHBondContact O-OG 3.04Å; I110-S112 VanDerWaalsContact C-N 3.35Å; S112-N114 PolarHBondContact O-N 3.35Å; S112-V115 WeakPolarHBondContact O-CG1 3.35Å; S112-V115 PolarHBondContact O-N 3.07Å
113P84Confident90.1Very high115 Ų11569 Ų6975%0.74738%0.377SS*.THydrogen-bonded Turntrans-56.9135.9173.6-21.531.9000110.8V115P113-V115 VanDerWaalsContact C-N 3.31Å; P113-V115 PolarHBondContact O-N 3.44Å
114N88.6Confident90.2Very high156 Ų15670.3 Ų70.383%0.83438%0.384SS*.THydrogen-bonded Turntrans66.618.1175.3-46.4-45.7000116.5S112 T116S112-N114 PolarHBondContact O-N 3.35Å; N114-T116 PolarHBondContact O-N 3.47Å
115V91.8Very high90.6Very high38 Ų3867.1 Ų67.123%0.2337%0.373CS..  trans-61.5125.6171.9670000110.6T109 S112 P113 D119 A120T109-V115 HydrophobicContact CG2-CG2 3.98Å; S112-V115 WeakPolarHBondContact O-CG1 3.35Å; S112-V115 PolarHBondContact O-N 3.07Å; P113-V115 VanDerWaalsContact C-N 3.31Å; P113-V115 PolarHBondContact O-N 3.44Å; V115-D119 HydrophobicContact CG2-CB 3.88Å; V115-A120 HydrophobicContact CG2-CB 4.35Å
116T93.1Very high91.1Very high61 Ų6169 Ų6937%0.37438%0.378SS..  trans-82.7166.5172.166.20000111N114 E118 D119 A120N114-T116 PolarHBondContact O-N 3.47Å; T116-E118 VanDerWaalsContact C-N 3.26Å; T116-E118 PolarHBondContact O-N 2.8Å; T116-D119 WeakPolarHBondContact CB-OD2 3.44Å; T116-D119 PolarHBondContact N-OD2 3.15Å; T116-D119 PolarHBondContact O-N 2.99Å; T116-D119 WeakPolarHBondContact OG1-CB 3.46Å; T116-D119 PolarHBondContact OG1-N 3.23Å; T116-D119 PolarHBondContact OG1-OD2 3.31Å; T116-A120 PolarHBondContact O-N 2.72Å
117V92.9Very high91.2Very high31 Ų3169.2 Ų69.219%0.18838%0.382CS..Hα-helixtrans-63-40.4173.9171.50000110.2A120 V121 Y192 Q196 Y197V117-A120 PolarHBondContact O-N 3.21Å; V117-V121 HydrophobicContact CG1-CG2 4.38Å; V117-V121 WeakPolarHBondContact O-CB 3.48Å; V117-V121 VanDerWaalsContact O-CG2 3.23Å; V117-V121 WeakPolarHBondContact O-CG2 3.39Å; V117-V121 PolarHBondContact O-N 3.11Å; V117-Y192 WeakPolarHBondContact CA-OH 3.49Å; V117-Q196 HydrophobicContact CG2-CG 4.17Å; V117-Y197 HydrophobicContact CG1-CE1 4.16Å; V117-Y197 WeakPolarHBondContact CG1-OH 3.38Å
118E92.9Very high91.6Very high139 Ų13965.2 Ų65.265%0.6536%0.358SS*.Hα-helixtrans-60.9-44.9176.1-66.175.3-168.400111.5T116 A120 V121 E122T116-E118 VanDerWaalsContact C-N 3.26Å; T116-E118 PolarHBondContact O-N 2.8Å; E118-A120 VanDerWaalsContact C-N 3.35Å; E118-A120 PolarHBondContact O-N 2.93Å; E118-V121 PolarHBondContact O-N 2.98Å; E118-E122 PolarHBondContact O-N 2.84Å
119D91.3Very high92Very high82 Ų8258.6 Ų58.644%0.43933%0.33SS..Hα-helixtrans-61.5-43.2175.7-63-42.4000111.6V115 T116 E122 Q123V115-D119 HydrophobicContact CG2-CB 3.88Å; T116-D119 WeakPolarHBondContact CB-OD2 3.44Å; T116-D119 PolarHBondContact N-OD2 3.15Å; T116-D119 PolarHBondContact O-N 2.99Å; T116-D119 WeakPolarHBondContact OG1-CB 3.46Å; T116-D119 PolarHBondContact OG1-N 3.23Å; T116-D119 PolarHBondContact OG1-OD2 3.31Å; D119-E122 PolarHBondContact O-N 3.46Å; D119-Q123 WeakPolarHBondContact O-CG 3.42Å; D119-Q123 PolarHBondContact O-N 3.19Å
120A92.9Very high92.4Very high1 Ų159.8 Ų59.81%0.00834%0.338CS..Hα-helixtrans-63.7-44177.900000111.4F106 I110 V115 T116 V117 E118 E122 Q123 Y192F106-A120 HydrophobicContact CE2-CB 4.3Å; F106-A120 WeakPolarHBondContact CE2-O 3.25Å; I110-A120 HydrophobicContact CG2-CB 3.95Å; V115-A120 HydrophobicContact CG2-CB 4.35Å; T116-A120 PolarHBondContact O-N 2.72Å; V117-A120 PolarHBondContact O-N 3.21Å; E118-A120 VanDerWaalsContact C-N 3.35Å; E118-A120 PolarHBondContact O-N 2.93Å; A120-E122 VanDerWaalsContact C-N 3.31Å; A120-E122 PolarHBondContact O-N 3.06Å; A120-Q123 PolarHBondContact O-N 3.06Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; A120-Y192 HydrophobicContact CB-CE1 3.73Å; A120-Y192 HydrophobicContact CB-CE2 4.47Å
121V93.4Very high92.8Very high57 Ų5757.6 Ų57.635%0.34533%0.327SS..Hα-helixtrans-62-38178.1169.40000111.5V117 E118 Q123 I124 F193V117-V121 HydrophobicContact CG1-CG2 4.38Å; V117-V121 WeakPolarHBondContact O-CB 3.48Å; V117-V121 VanDerWaalsContact O-CG2 3.23Å; V117-V121 WeakPolarHBondContact O-CG2 3.39Å; V117-V121 PolarHBondContact O-N 3.11Å; E118-V121 PolarHBondContact O-N 2.98Å; V121-Q123 PolarHBondContact O-N 3.21Å; V121-I124 WeakPolarHBondContact O-CB 3.3Å; V121-I124 PolarHBondContact O-N 3.29Å; V121-F193 HydrophobicContact CG2-CE1 4.01Å; V121-F193 HydrophobicContact CG2-CZ 4.05Å
122E90.9Very high93.3Very high86 Ų8653.3 Ų53.340%0.40230%0.296SS..Hα-helixtrans-63-26.9176.5-161.962.8-149.600112.8R64 E118 D119 A120 I124R64-E122 IonicContact CZ-OE1 3.58Å; R64-E122 IonicContact CZ-OE2 3.8Å; R64-E122 IonicContact NE-OE1 2.85Å; R64-E122 PolarHBondContact NE-OE1 3.26Å; R64-E122 IonicContact NE-OE2 3.72Å; R64-E122 IonicContact NH2-OE1 3.79Å; R64-E122 PolarHBondContact NH2-OE1 3.13Å; R64-E122 IonicContact NH2-OE2 2.85Å; R64-E122 PolarHBondContact NH2-OE2 3.04Å; E118-E122 PolarHBondContact O-N 2.84Å; D119-E122 PolarHBondContact O-N 3.46Å; A120-E122 VanDerWaalsContact C-N 3.31Å; A120-E122 PolarHBondContact O-N 3.06Å; E122-I124 VanDerWaalsContact C-N 3.32Å
123Q90.6Very high93.8Very high61 Ų6157.6 Ų57.629%0.28530%0.304SS..THydrogen-bonded Turntrans-89.15.5-179.1-62-59.7-44.900113.8T109 D119 A120 V121 D125 Y185T109-Q123 HydrophobicContact CG2-CB 3.98Å; T109-Q123 HydrophobicContact CG2-CG 3.58Å; D119-Q123 WeakPolarHBondContact O-CG 3.42Å; D119-Q123 PolarHBondContact O-N 3.19Å; A120-Q123 PolarHBondContact O-N 3.06Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; V121-Q123 PolarHBondContact O-N 3.21Å; Q123-D125 PolarHBondContact O-N 3.34Å; Q123-Y185 PolarHBondContact O-OH 3.35Å
124I94.8Very high94.5Very high40 Ų4052.6 Ų52.621%0.20527%0.273CS..  trans-76.8114.1173.1-63.5175.9000109.4F106 V121 E122 I126 I189 F193F106-I124 HydrophobicContact CD2-CG1 4.16Å; F106-I124 HydrophobicContact CE2-CD1 4.48Å; F106-I124 HydrophobicContact CE2-CG1 3.85Å; V121-I124 WeakPolarHBondContact O-CB 3.3Å; V121-I124 PolarHBondContact O-N 3.29Å; E122-I124 VanDerWaalsContact C-N 3.32Å; I124-I126 HydrophobicContact CG2-CD1 4.11Å; I124-I126 PolarHBondContact O-N 2.88Å; I124-I189 HydrophobicContact CD1-CG2 4.08Å; I124-I189 HydrophobicContact CG1-CD1 4.2Å; I124-I189 HydrophobicContact CG1-CG1 4.39Å; I124-I189 HydrophobicContact CG2-CD1 3.9Å; I124-F193 HydrophobicContact CD1-CE2 4.14Å; I124-F193 HydrophobicContact CD1-CZ 3.82Å
125D94.4Very high95Very high23 Ų2345.2 Ų45.212%0.12323%0.233CC..  trans-82.9112-177.5-163.1-23.7000111.9L103 Y104 Q123 G127 G128 V129 Y185L103-D125 HydrophobicContact CD2-CB 4.27Å; Y104-D125 HydrophobicContact CD2-CB 3.97Å; Q123-D125 PolarHBondContact O-N 3.34Å; D125-G127 PolarHBondContact OD1-N 3.16Å; D125-G128 WeakPolarHBondContact OD1-CA 3.47Å; D125-G128 PolarHBondContact OD1-N 3.28Å; D125-V129 WeakPolarHBondContact O-CG2 3.42Å; D125-Y185 HydrophobicContact CB-CE1 4.36Å; D125-Y185 PolarHBondContact N-OH 2.85Å
126I95.3Very high95.3Very high98 Ų9843.4 Ų43.450%0.50322%0.222SC..SBendtrans-88.7-47.6174.8-54.1-58000111.3L68 I124 T130L68-I126 HydrophobicContact CD1-CG2 3.97Å; I124-I126 HydrophobicContact CG2-CD1 4.11Å; I124-I126 PolarHBondContact O-N 2.88Å; I126-T130 PolarHBondContact O-N 2.97Å; I126-T130 VanDerWaalsContact O-N 3.15Å; I126-T130 PolarHBondContact O-OG1 2.89Å
127G94.6Very high95.5Very high7 Ų747.8 Ų47.87%0.07224%0.236CC..Hα-helixtrans-68-48.8-172.900000112D125 T130 L131D125-G127 PolarHBondContact OD1-N 3.16Å; G127-T130 PolarHBondContact O-N 3.28Å; G127-L131 WeakPolarHBondContact O-CG 3.44Å; G127-L131 PolarHBondContact O-N 3.38Å
128G95.9Very high95.8Very high3 Ų347.1 Ų47.13%0.03123%0.231CC..Hα-helixtrans-60.8-46.4178.600000112.4C101 L103 D125 T130 L131 L132C101-G128 VanDerWaalsContact SG-CA 3.55Å; L103-G128 VanDerWaalsContact CD2-C 3.5Å; D125-G128 WeakPolarHBondContact OD1-CA 3.47Å; D125-G128 PolarHBondContact OD1-N 3.28Å; G128-T130 VanDerWaalsContact C-N 3.25Å; G128-T130 PolarHBondContact O-N 2.98Å; G128-L131 WeakPolarHBondContact O-CB 3.42Å; G128-L131 PolarHBondContact O-N 3.01Å; G128-L131 VanDerWaalsContact O-N 3.1Å; G128-L132 WeakPolarHBondContact O-CA 3.42Å; G128-L132 WeakPolarHBondContact O-CG 3.46Å; G128-L132 PolarHBondContact O-N 2.83Å
129V97.9Very high96.1Very high16 Ų1643.3 Ų43.310%0.09721%0.213CC..Hα-helixtrans-60-37.1176.11720000111.4L103 D125 L132 R133 T182 Y185L103-V129 HydrophobicContact CD1-CG2 3.71Å; L103-V129 HydrophobicContact CD2-CG2 3.86Å; L103-V129 HydrophobicContact CG-CG2 4.45Å; D125-V129 WeakPolarHBondContact O-CG2 3.42Å; V129-L132 WeakPolarHBondContact O-CA 3.4Å; V129-R133 HydrophobicContact CG1-CG 4.47Å; V129-R133 WeakPolarHBondContact O-CG 3.49Å; V129-R133 PolarHBondContact O-N 3.47Å; V129-T182 HydrophobicContact CG1-CG2 4.09Å; V129-T182 HydrophobicContact CG2-CG2 4.48Å; V129-Y185 HydrophobicContact CG2-CD1 3.88Å; V129-Y185 HydrophobicContact CG2-CE1 4.01Å
130T98.2Very high96.4Very high50 Ų5042.5 Ų42.531%0.30722%0.218SC..Hα-helixtrans-70.2-38.8176.5-51.70000111.6L68 H73 I126 G127 G128 R133 A134L68-T130 HydrophobicContact CD2-CG2 4.09Å; H73-T130 WeakPolarHBondContact CE1-CG2 3.27Å; I126-T130 PolarHBondContact O-N 2.97Å; I126-T130 VanDerWaalsContact O-N 3.15Å; I126-T130 PolarHBondContact O-OG1 2.89Å; G127-T130 PolarHBondContact O-N 3.28Å; G128-T130 VanDerWaalsContact C-N 3.25Å; G128-T130 PolarHBondContact O-N 2.98Å; T130-R133 PolarHBondContact O-N 3.37Å; T130-A134 WeakPolarHBondContact O-CB 3.4Å; T130-A134 PolarHBondContact O-N 3.33Å
131L98.4Very high96.7Very high1 Ų143 Ų431%0.00522%0.22CC..Hα-helixtrans-62.3-62.9176.3-70.3177.7000112.2L8 T67 V72 I76 V99 G127 G128 A134 A135L8-L131 HydrophobicContact CD2-CD1 4.32Å; L8-L131 HydrophobicContact CD2-CD2 3.6Å; T67-L131 HydrophobicContact CG2-CD1 3.94Å; V72-L131 HydrophobicContact CG1-CD2 3.65Å; I76-L131 HydrophobicContact CD1-CD2 3.66Å; V99-L131 HydrophobicContact CG1-CB 4.26Å; G127-L131 WeakPolarHBondContact O-CG 3.44Å; G127-L131 PolarHBondContact O-N 3.38Å; G128-L131 WeakPolarHBondContact O-CB 3.42Å; G128-L131 PolarHBondContact O-N 3.01Å; G128-L131 VanDerWaalsContact O-N 3.1Å; L131-A134 PolarHBondContact O-N 3.42Å; L131-A135 WeakPolarHBondContact O-CB 3.38Å; L131-A135 PolarHBondContact O-N 3.48Å
132L98.6Very high96.9Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helix21.1-109126.933.2132.2000117.4C101 L103 G128 V129 A134 A135 A136 I144 C146 A178 T182C101-L132 HydrophobicContact CB-CD2 3.72Å; C101-L132 HydrophobicContact CB-CG 4.34Å; C101-L132 VanDerWaalsContact O-CD2 3.27Å; C101-L132 WeakPolarHBondContact O-CD2 3.36Å; L103-L132 HydrophobicContact CD1-CD1 4.26Å; L103-L132 HydrophobicContact CD2-CD1 3.82Å; L103-L132 HydrophobicContact CG-CD1 3.99Å; G128-L132 WeakPolarHBondContact O-CA 3.42Å; G128-L132 WeakPolarHBondContact O-CG 3.46Å; G128-L132 PolarHBondContact O-N 2.83Å; V129-L132 WeakPolarHBondContact O-CA 3.4Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 2.88Å; L132-A135 PolarHBondContact O-N 3.41Å; L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 3.26Å; L132-I144 HydrophobicContact CB-CD1 4.33Å; L132-I144 HydrophobicContact CD2-CD1 3.48Å; L132-I144 VanDerWaalsContact CD2-CD1 3.48Å; L132-I144 HydrophobicContact CD2-CG1 4.05Å; L132-C146 HydrophobicContact CD1-CB 4.47Å; L132-C146 HydrophobicContact CD2-CB 3.68Å; L132-A178 HydrophobicContact CB-CB 4.37Å; L132-T182 HydrophobicContact CB-CG2 4.14Å; L132-T182 HydrophobicContact CD1-CG2 3.76Å
133R98.8Very high97.3Very high145 Ų14536.2 Ų36.255%0.54719%0.185SC..Hα-helixtrans-65.8-33.1-170.6-63.1174.370.5-141.41.9111.6V129 T130 K137 F179 T182V129-R133 HydrophobicContact CG1-CG 4.47Å; V129-R133 WeakPolarHBondContact O-CG 3.49Å; V129-R133 PolarHBondContact O-N 3.47Å; T130-R133 PolarHBondContact O-N 3.37Å; R133-K137 WeakPolarHBondContact O-CB 3.3Å; R133-K137 PolarHBondContact O-N 3.04Å; R133-F179 HydrophobicContact CB-CE1 4.06Å; R133-F179 HydrophobicContact CG-CD1 4.41Å; R133-F179 HydrophobicContact CG-CE1 4.08Å; R133-T182 HydrophobicContact CG-CG2 4.2Å
134A98.7Very high97.7Very high10 Ų1033.3 Ų33.38%0.08317%0.171CC..Hα-helixtrans-65-47177.800000111.8I76 L77 T130 L131 L132 K137 N138I76-A134 HydrophobicContact CG2-CB 3.83Å; L77-A134 HydrophobicContact CD1-CB 4.45Å; L77-A134 HydrophobicContact CD2-CB 3.98Å; L77-A134 WeakPolarHBondContact CD2-O 3.24Å; L77-A134 HydrophobicContact CG-CB 4.17Å; T130-A134 WeakPolarHBondContact O-CB 3.4Å; T130-A134 PolarHBondContact O-N 3.33Å; L131-A134 PolarHBondContact O-N 3.42Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 2.88Å; A134-K137 PolarHBondContact O-N 3.22Å; A134-N138 PolarHBondContact O-N 3.01Å; A134-N138 VanDerWaalsContact O-N 3.17Å
135A98.8Very high97.9Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-68.1-44.7179.300000111.4I76 V99 L131 L132 K137 N138 H139 V142 I144I76-A135 HydrophobicContact CG2-CB 4.01Å; V99-A135 HydrophobicContact CB-CB 3.82Å; V99-A135 HydrophobicContact CG1-CB 4.15Å; V99-A135 HydrophobicContact CG2-CB 3.87Å; L131-A135 WeakPolarHBondContact O-CB 3.38Å; L131-A135 PolarHBondContact O-N 3.48Å; L132-A135 PolarHBondContact O-N 3.41Å; A135-K137 VanDerWaalsContact C-N 3.34Å; A135-K137 PolarHBondContact O-N 3.41Å; A135-N138 CarbonylContact O-C 3.57Å; A135-N138 PolarHBondContact O-N 3.03Å; A135-N138 VanDerWaalsContact O-N 3.16Å; A135-H139 PolarHBondContact O-N 3.37Å; A135-V142 HydrophobicContact CB-CG1 3.82Å; A135-I144 HydrophobicContact CB-CB 3.79Å; A135-I144 HydrophobicContact CB-CD1 3.65Å; A135-I144 HydrophobicContact CB-CG1 3.99Å
136A98.7Very high98.1Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-62.8-38176.100000112.7L132 N138 H139 I144 A175 A178 F179L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 3.26Å; A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 PolarHBondContact O-N 2.96Å; A136-H139 WeakPolarHBondContact O-CB 3.42Å; A136-H139 PolarHBondContact O-N 3.01Å; A136-H139 PolarHBondContact O-ND1 3.43Å; A136-I144 HydrophobicContact CB-CG2 4.33Å; A136-A175 HydrophobicContact CB-CB 4.12Å; A136-A178 HydrophobicContact CB-CB 3.92Å; A136-F179 HydrophobicContact CB-CD2 3.8Å; A136-F179 HydrophobicContact CB-CE1 4.33Å; A136-F179 HydrophobicContact CB-CE2 3.52Å; A136-F179 HydrophobicContact CB-CG 4.33Å; A136-F179 HydrophobicContact CB-CZ 3.81Å
137K98.7Very high98.2Very high153 Ų15328.9 Ų28.967%0.66515%0.149SC*.Hα-helixtrans-60.2-42.1173.3176.8-178.4176.4-177.70111.5L77 R133 A134 A135 H139 F179L77-K137 HydrophobicContact CD2-CD 4.16Å; R133-K137 WeakPolarHBondContact O-CB 3.3Å; R133-K137 PolarHBondContact O-N 3.04Å; A134-K137 PolarHBondContact O-N 3.22Å; A135-K137 VanDerWaalsContact C-N 3.34Å; A135-K137 PolarHBondContact O-N 3.41Å; K137-H139 VanDerWaalsContact C-N 3.34Å; K137-H139 PolarHBondContact O-N 3.2Å; K137-F179 HydrophobicContact CB-CZ 4.44Å
138N98.6Very high98.4Very high17 Ų1729.7 Ų29.79%0.09115%0.154CC..THydrogen-bonded Turntrans-96.130.4-178.1-157.125.1000113.8I76 L77 A78 A134 A135 A136 A140 R141 V142I76-N138 PolarHBondContact O-ND2 3.49Å; L77-N138 HydrophobicContact CD2-CB 4.5Å; L77-N138 PolarHBondContact O-ND2 3.38Å; A78-N138 PolarHBondContact O-ND2 3.12Å; A134-N138 PolarHBondContact O-N 3.01Å; A134-N138 VanDerWaalsContact O-N 3.17Å; A135-N138 CarbonylContact O-C 3.57Å; A135-N138 PolarHBondContact O-N 3.03Å; A135-N138 VanDerWaalsContact O-N 3.16Å; A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 PolarHBondContact O-N 2.96Å; N138-A140 PolarHBondContact O-N 2.94Å; N138-R141 PolarHBondContact ND2-NH2 2.88Å; N138-R141 PolarHBondContact O-N 3.37Å; N138-V142 HydrophobicContact CB-CG2 4.27Å; N138-V142 PolarHBondContact O-N 3.4Å
139H98.7Very high98.5Very high59 Ų5933.2 Ų33.227%0.27318%0.182SC..THydrogen-bonded Turntrans-61.8-8.7179.970.6-89.5000114.6A135 A136 K137 R141 R171 A175A135-H139 PolarHBondContact O-N 3.37Å; A136-H139 WeakPolarHBondContact O-CB 3.42Å; A136-H139 PolarHBondContact O-N 3.01Å; A136-H139 PolarHBondContact O-ND1 3.43Å; K137-H139 VanDerWaalsContact C-N 3.34Å; K137-H139 PolarHBondContact O-N 3.2Å; H139-R141 PolarHBondContact O-N 3.22Å; H139-R171 HydrophobicContact CB-CB 4.24Å; H139-R171 WeakPolarHBondContact O-CB 3.46Å; H139-R171 WeakPolarHBondContact O-CD 3.47Å; H139-R171 PolarHBondContact O-NE 3.26Å; H139-A175 HydrophobicContact CB-CB 3.58Å
140A98.2Very high98.5Very high66 Ų6633.5 Ų33.555%0.54518%0.183SC..THydrogen-bonded Turntrans-57.5-32.6166.900000111.6N138 R171N138-A140 PolarHBondContact O-N 2.94Å; A140-R171 PolarHBondContact O-NE 2.9Å; A140-R171 PolarHBondContact O-NH2 3.36Å
141R98.1Very high98.5Very high12 Ų1231.5 Ų31.55%0.04517%0.17CC..THydrogen-bonded Turntrans-121.5-40.4-180-176.6178.863.571.7-1.2113.8G75 I76 A78 V96 N138 H139G75-R141 PolarHBondContact O-NH2 3.18Å; I76-R141 PolarHBondContact O-NH2 2.72Å; A78-R141 PolarHBondContact O-NE 3.05Å; A78-R141 PolarHBondContact O-NH2 3.5Å; V96-R141 PolarHBondContact O-NH1 3.38Å; N138-R141 PolarHBondContact ND2-NH2 2.88Å; N138-R141 PolarHBondContact O-N 3.37Å; H139-R141 PolarHBondContact O-N 3.22Å
142V98.7Very high98.5Very high0 Ų036 Ų360%020%0.202CC..  trans-93.5132-168-178.10000111.7I76 R97 V99 A135 N138 R171I76-V142 HydrophobicContact CG2-CG2 4.47Å; I76-V142 VanDerWaalsContact O-CG2 3.3Å; I76-V142 WeakPolarHBondContact O-CG2 3.29Å; R97-V142 WeakPolarHBondContact O-CA 3.4Å; V99-V142 HydrophobicContact CG2-CG1 3.99Å; A135-V142 HydrophobicContact CB-CG1 3.82Å; N138-V142 HydrophobicContact CB-CG2 4.27Å; N138-V142 PolarHBondContact O-N 3.4Å; V142-R171 VanDerWaalsContact O-CD 3.31Å; V142-R171 WeakPolarHBondContact O-CD 3.47Å
143T98.9Very high98.4Very high0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-88.5110.6170.7-55.60000109.4R97 V98 V99 V145 V154 T166 L174R97-T143 PolarHBondContact O-N 3.14Å; V98-T143 CarbonylContact C-O 3.55Å; V98-T143 WeakPolarHBondContact CA-O 3.28Å; V99-T143 PolarHBondContact N-O 2.98Å; T143-V145 HydrophobicContact CG2-CG2 4.11Å; T143-V154 HydrophobicContact CG2-CG1 3.92Å; T143-T166 HydrophobicContact CG2-CG2 3.84Å; T143-T166 PolarHBondContact OG1-OG1 3.1Å; T143-L174 HydrophobicContact CG2-CD1 3.68Å
144I98.8Very high98.4Very high0 Ų034.1 Ų34.10%020%0.202CC..EExtended strand (participates in β ladder)trans-94.5132.3174.8-17956.5000109.7V99 L132 A135 A136 L174 A175 A178V99-I144 HydrophobicContact CB-CD1 3.88Å; V99-I144 HydrophobicContact CG1-CD1 3.67Å; V99-I144 CarbonylContact O-C 3.56Å; V99-I144 WeakPolarHBondContact O-CA 3.4Å; V99-I144 WeakPolarHBondContact O-CD1 3.48Å; L132-I144 HydrophobicContact CB-CD1 4.33Å; L132-I144 HydrophobicContact CD2-CD1 3.48Å; L132-I144 VanDerWaalsContact CD2-CD1 3.48Å; L132-I144 HydrophobicContact CD2-CG1 4.05Å; A135-I144 HydrophobicContact CB-CB 3.79Å; A135-I144 HydrophobicContact CB-CD1 3.65Å; A135-I144 HydrophobicContact CB-CG1 3.99Å; A136-I144 HydrophobicContact CB-CG2 4.33Å; I144-L174 HydrophobicContact CG2-CB 4.14Å; I144-L174 VanDerWaalsContact O-CB 3.24Å; I144-L174 WeakPolarHBondContact O-CB 3.43Å; I144-L174 WeakPolarHBondContact O-CD1 3.29Å; I144-A175 HydrophobicContact CG2-CB 4.4Å; I144-A178 HydrophobicContact CG1-CB 3.74Å; I144-A178 HydrophobicContact CG2-CB 4.09Å
145V98.8Very high98.4Very high0 Ų033.8 Ų33.80%020%0.199CC..EExtended strand (participates in β ladder)trans-131.7114.4175.4-164.30000109.5F20 V99 V100 C101 T143 D150 Y151 V154 L174F20-V145 HydrophobicContact CE1-CG2 4.39Å; F20-V145 HydrophobicContact CZ-CG2 4.32Å; V99-V145 PolarHBondContact O-N 3.18Å; V100-V145 WeakPolarHBondContact CA-O 3.43Å; C101-V145 PolarHBondContact N-O 3.42Å; T143-V145 HydrophobicContact CG2-CG2 4.11Å; V145-D150 HydrophobicContact CG1-CB 3.94Å; V145-Y151 HydrophobicContact CB-CE1 4.37Å; V145-Y151 HydrophobicContact CG1-CD1 3.66Å; V145-Y151 HydrophobicContact CG1-CE1 3.69Å; V145-V154 HydrophobicContact CG2-CG1 4.35Å; V145-V154 HydrophobicContact CG2-CG2 4.08Å; V145-L174 HydrophobicContact CG2-CD1 4.42Å
146C98.3Very high98.3Very high11 Ų1140.2 Ų40.27%0.07423%0.227CC..  trans-111.7-2.3-178.368.40000115.6C101 N102 L132C101-C146 WeakPolarHBondContact O-CA 3.33Å; C101-C146 WeakPolarHBondContact O-CB 3.29Å; N102-C146 WeakPolarHBondContact CB-O 3.37Å; L132-C146 HydrophobicContact CD1-CB 4.47Å; L132-C146 HydrophobicContact CD2-CB 3.68Å
147D97.9Very high98.3Very high56 Ų5641.9 Ų41.930%0.29924%0.235SC..  trans-131119.3-176.5179-1.9000108.7A149 D150 K177D147-A149 PolarHBondContact O-N 2.88Å; D147-A149 VanDerWaalsContact O-N 3.09Å; D147-A149 WeakPolarHBondContact OD1-CB 3.26Å; D147-A149 PolarHBondContact OD1-N 3.35Å; D147-D150 PolarHBondContact O-N 2.58Å; D147-K177 HydrophobicContact CB-CD 3.82Å; D147-K177 IonicContact OD2-NZ 2.75Å; D147-K177 PolarHBondContact OD2-NZ 3.11Å
148P98.1Very high98.3Very high25 Ų2534.6 Ų34.616%0.16220%0.204CC..G310 helixtrans-53.5-25.9176.1-28.236.6000114.7T15 D150 Y151T15-P148 HydrophobicContact CG2-CB 4.44Å; P148-D150 PolarHBondContact O-N 3.22Å; P148-Y151 HydrophobicContact CB-CD2 4.2Å; P148-Y151 HydrophobicContact CB-CE2 3.85Å; P148-Y151 HydrophobicContact CG-CE2 4.31Å; P148-Y151 WeakPolarHBondContact O-CB 3.12Å; P148-Y151 VanDerWaalsContact O-CG 3.31Å; P148-Y151 PolarHBondContact O-N 2.92Å
149A98.1Very high98.2Very high76 Ų7637.8 Ų37.863%0.62822%0.218SC*.G310 helixtrans-63.3-22.6177.400000113.3D147D147-A149 PolarHBondContact O-N 2.88Å; D147-A149 VanDerWaalsContact O-N 3.09Å; D147-A149 WeakPolarHBondContact OD1-CB 3.26Å; D147-A149 PolarHBondContact OD1-N 3.35Å
150D98.4Very high98.1Very high22 Ų2240.8 Ų40.812%0.11824%0.236CC..G310 helixtrans-87.3-9.1179.6-62-34.2000113.2V145 D147 P148 S152 L153 V154 L174 K177V145-D150 HydrophobicContact CG1-CB 3.94Å; D147-D150 PolarHBondContact O-N 2.58Å; P148-D150 PolarHBondContact O-N 3.22Å; D150-S152 PolarHBondContact O-N 3.42Å; D150-L153 PolarHBondContact O-N 3.39Å; D150-V154 WeakPolarHBondContact O-CG2 3.11Å; D150-V154 PolarHBondContact O-N 2.67Å; D150-L174 HydrophobicContact CB-CD2 4.12Å; D150-K177 IonicContact OD1-NZ 3.98Å; D150-K177 PolarHBondContact OD1-NZ 3.44Å; D150-K177 WeakPolarHBondContact OD2-CD 3.4Å; D150-K177 WeakPolarHBondContact OD2-CE 3.46Å; D150-K177 IonicContact OD2-NZ 3.93Å; D150-K177 PolarHBondContact OD2-NZ 3.16Å
151Y98.6Very high98Very high8 Ų839.3 Ų39.33%0.03122%0.221CC..Hα-helixtrans-57.2-48.2-174-70.6-4.4000112.5T15 F20 V100 V145 P148 L153 V154 A155T15-Y151 VanDerWaalsContact O-CE2 3.27Å; T15-Y151 WeakPolarHBondContact O-CE2 3.39Å; F20-Y151 HydrophobicContact CB-CD2 3.66Å; F20-Y151 HydrophobicContact CB-CE2 4.34Å; F20-Y151 HydrophobicContact CB-CG 3.8Å; F20-Y151 AromaticContact CD1-CD1 3.55Å; F20-Y151 HydrophobicContact CD1-CD1 3.55Å; F20-Y151 HydrophobicContact CD1-CD2 4.07Å; F20-Y151 AromaticContact CD1-CE1 3.9Å; F20-Y151 HydrophobicContact CD1-CE1 3.9Å; F20-Y151 HydrophobicContact CD1-CE2 4.37Å; F20-Y151 AromaticContact CD1-CG 3.66Å; F20-Y151 HydrophobicContact CD1-CG 3.66Å; F20-Y151 HydrophobicContact CD2-CG 4.19Å; F20-Y151 WeakPolarHBondContact CD2-O 2.88Å; F20-Y151 AromaticContact CE1-CD1 3.76Å; F20-Y151 HydrophobicContact CE1-CD1 3.76Å; F20-Y151 HydrophobicContact CE1-CE1 4.13Å; F20-Y151 HydrophobicContact CE1-CG 4.26Å; F20-Y151 VanDerWaalsContact CE2-O 3.29Å; F20-Y151 WeakPolarHBondContact CE2-O 3.16Å; F20-Y151 AromaticContact CG-CD1 4Å; F20-Y151 HydrophobicContact CG-CD1 4Å; F20-Y151 AromaticContact CG-CD2 3.99Å; F20-Y151 HydrophobicContact CG-CD2 3.99Å; F20-Y151 AromaticContact CG-CG 3.62Å; F20-Y151 HydrophobicContact CG-CG 3.62Å; F20-Y151 HydrophobicContact CZ-CD1 4.39Å; V100-Y151 HydrophobicContact CG1-CE1 3.68Å; V100-Y151 WeakPolarHBondContact CG1-OH 3.44Å; V145-Y151 HydrophobicContact CB-CE1 4.37Å; V145-Y151 HydrophobicContact CG1-CD1 3.66Å; V145-Y151 HydrophobicContact CG1-CE1 3.69Å; P148-Y151 HydrophobicContact CB-CD2 4.2Å; P148-Y151 HydrophobicContact CB-CE2 3.85Å; P148-Y151 HydrophobicContact CG-CE2 4.31Å; P148-Y151 WeakPolarHBondContact O-CB 3.12Å; P148-Y151 VanDerWaalsContact O-CG 3.31Å; P148-Y151 PolarHBondContact O-N 2.92Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 3.19Å; Y151-V154 PolarHBondContact O-N 2.92Å; Y151-A155 VanDerWaalsContact O-CB 3.28Å; Y151-A155 WeakPolarHBondContact O-CB 3.35Å; Y151-A155 PolarHBondContact O-N 3.06Å
152S97.8Very high97.7Very high97 Ų9742.6 Ų42.668%0.67826%0.259SS*.Hα-helixtrans-65-37.3-178.9-54.40000112.6D150 K156D150-S152 PolarHBondContact O-N 3.42Å; S152-K156 VanDerWaalsContact O-CB 3.29Å; S152-K156 WeakPolarHBondContact O-CB 3.48Å; S152-K156 PolarHBondContact O-N 3.47Å; S152-K156 VanDerWaalsContact O-N 3.1Å
153L96.9Very high97.4Very high104 Ų10449.4 Ų49.455%0.54530%0.295SS..Hα-helixtrans-64.1-49.9177.117769.9000110.5D150 Y151 K156 E157D150-L153 PolarHBondContact O-N 3.39Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 3.19Å; L153-K156 PolarHBondContact O-N 3.03Å; L153-E157 WeakPolarHBondContact O-CB 3.38Å; L153-E157 PolarHBondContact O-N 2.76Å
154V98.5Very high97.3Very high0 Ų054.3 Ų54.30%032%0.317CS..Hα-helixtrans-66.4-44.1-178.1174.20000111.2F20 T143 V145 D150 Y151 K156 E157 M158 T166 L174F20-V154 HydrophobicContact CE2-CB 4.07Å; F20-V154 HydrophobicContact CE2-CG1 4.04Å; F20-V154 HydrophobicContact CZ-CB 4.07Å; F20-V154 HydrophobicContact CZ-CG1 3.78Å; T143-V154 HydrophobicContact CG2-CG1 3.92Å; V145-V154 HydrophobicContact CG2-CG1 4.35Å; V145-V154 HydrophobicContact CG2-CG2 4.08Å; D150-V154 WeakPolarHBondContact O-CG2 3.11Å; D150-V154 PolarHBondContact O-N 2.67Å; Y151-V154 PolarHBondContact O-N 2.92Å; V154-K156 PolarHBondContact O-N 3.31Å; V154-E157 PolarHBondContact O-N 3.35Å; V154-M158 HydrophobicContact CG1-CG 4.43Å; V154-M158 HydrophobicContact CG1-SD 3.96Å; V154-M158 VanDerWaalsContact O-CG 3.3Å; V154-M158 WeakPolarHBondContact O-CG 3.47Å; V154-M158 PolarHBondContact O-N 3.44Å; V154-T166 HydrophobicContact CG1-CG2 4.04Å; V154-L174 HydrophobicContact CG2-CD1 3.87Å
155A98.2Very high97.2Very high4 Ų455.5 Ų55.53%0.03332%0.323CS..Hα-helixtrans-56.9-52.117700000111.1F20 H23 Y151 E157 M158 E159F20-A155 HydrophobicContact CD2-CB 4.02Å; F20-A155 HydrophobicContact CE2-CB 4.03Å; H23-A155 HydrophobicContact CB-CB 3.68Å; Y151-A155 VanDerWaalsContact O-CB 3.28Å; Y151-A155 WeakPolarHBondContact O-CB 3.35Å; Y151-A155 PolarHBondContact O-N 3.06Å; A155-E157 PolarHBondContact O-N 3.18Å; A155-M158 PolarHBondContact O-N 2.81Å; A155-E159 WeakPolarHBondContact O-CG 3.47Å; A155-E159 PolarHBondContact O-N 3.1Å
156K97.9Very high97.2Very high134 Ų13455.9 Ų55.958%0.58333%0.326SS*.Hα-helixtrans-59.6-47.2-179.6-176.5177.4179-177.70112.1S152 L153 V154 M158 E159 D160S152-K156 VanDerWaalsContact O-CB 3.29Å; S152-K156 WeakPolarHBondContact O-CB 3.48Å; S152-K156 PolarHBondContact O-N 3.47Å; S152-K156 VanDerWaalsContact O-N 3.1Å; L153-K156 PolarHBondContact O-N 3.03Å; V154-K156 PolarHBondContact O-N 3.31Å; K156-M158 VanDerWaalsContact C-N 3.31Å; K156-M158 PolarHBondContact O-N 2.75Å; K156-E159 PolarHBondContact O-N 3.02Å; K156-D160 WeakPolarHBondContact CE-OD2 3.11Å; K156-D160 WeakPolarHBondContact CG-OD2 3.34Å; K156-D160 WeakPolarHBondContact O-CB 3.45Å; K156-D160 PolarHBondContact O-N 3.25Å
157E98.3Very high97.2Very high36 Ų3658.9 Ų58.917%0.16834%0.343CS..Hα-helixtrans-61.3-40179.6-173.1-178.6-175.800112.1L153 V154 A155 S161 T167 T170L153-E157 WeakPolarHBondContact O-CB 3.38Å; L153-E157 PolarHBondContact O-N 2.76Å; V154-E157 PolarHBondContact O-N 3.35Å; A155-E157 PolarHBondContact O-N 3.18Å; E157-S161 WeakPolarHBondContact O-CB 3.47Å; E157-S161 PolarHBondContact O-N 3.03Å; E157-T167 VanDerWaalsContact OE1-CB 3.23Å; E157-T167 WeakPolarHBondContact OE1-CB 3.41Å; E157-T167 WeakPolarHBondContact OE1-CG2 3.27Å; E157-T167 PolarHBondContact OE1-N 3.09Å; E157-T167 PolarHBondContact OE1-OG1 2.98Å; E157-T170 PolarHBondContact OE1-OG1 3.18Å; E157-T170 WeakPolarHBondContact OE2-CB 3.17Å; E157-T170 WeakPolarHBondContact OE2-CG2 3.38Å; E157-T170 PolarHBondContact OE2-OG1 2.91Å
158M98.1Very high97.2Very high0 Ų059.4 Ų59.40%035%0.346CS..Hα-helixtrans-70.5-36177.4-67.1-178.477.300112.5L24 V27 L29 V98 V154 A155 K156 K164 T166L24-M158 HydrophobicContact CD2-SD 4.04Å; V27-M158 HydrophobicContact CG1-CB 4.06Å; V27-M158 HydrophobicContact CG2-CE 3.94Å; L29-M158 HydrophobicContact CD1-CE 3.95Å; V98-M158 HydrophobicContact CG2-CE 3.93Å; V98-M158 HydrophobicContact CG2-SD 4.18Å; V154-M158 HydrophobicContact CG1-CG 4.43Å; V154-M158 HydrophobicContact CG1-SD 3.96Å; V154-M158 VanDerWaalsContact O-CG 3.3Å; V154-M158 WeakPolarHBondContact O-CG 3.47Å; V154-M158 PolarHBondContact O-N 3.44Å; A155-M158 PolarHBondContact O-N 2.81Å; K156-M158 VanDerWaalsContact C-N 3.31Å; K156-M158 PolarHBondContact O-N 2.75Å; M158-K164 VanDerWaalsContact CE-O 3.29Å; M158-K164 WeakPolarHBondContact CE-O 3.37Å; M158-K164 WeakPolarHBondContact O-CA 3.43Å; M158-T166 HydrophobicContact CG-CG2 3.76Å; M158-T166 HydrophobicContact SD-CG2 4.31Å
159E96.9Very high97.3Very high83 Ų8363.8 Ų63.839%0.38836%0.364SS..Hα-helixtrans-71-37.9177.9-73.5178.9155.300112.4H23 V27 A155 K156 S161H23-E159 IonicContact CE1-OE1 3.87Å; H23-E159 IonicContact CE1-OE2 2.99Å; H23-E159 IonicContact CG-OE1 2.76Å; H23-E159 IonicContact ND1-OE1 3.81Å; H23-E159 PolarHBondContact ND1-OE1 2.91Å; H23-E159 IonicContact ND1-OE2 2.72Å; H23-E159 PolarHBondContact ND1-OE2 3.37Å; V27-E159 HydrophobicContact CG1-CG 3.71Å; A155-E159 WeakPolarHBondContact O-CG 3.47Å; A155-E159 PolarHBondContact O-N 3.1Å; K156-E159 PolarHBondContact O-N 3.02Å; E159-S161 VanDerWaalsContact C-N 3.28Å; E159-S161 PolarHBondContact O-N 3.41Å
160D96.6Very high97.3Very high122 Ų12261.1 Ų61.165%0.65234%0.34SS*.Hα-helixtrans-77.1-14.3178.4-68.8-18.7000112.6K156K156-D160 WeakPolarHBondContact CE-OD2 3.11Å; K156-D160 WeakPolarHBondContact CG-OD2 3.34Å; K156-D160 WeakPolarHBondContact O-CB 3.45Å; K156-D160 PolarHBondContact O-N 3.25Å
161S95.3Very high97.3Very high35 Ų3561.1 Ų61.125%0.24534%0.338CS..  trans-83.5132.4-176.2177.10000112.9E157 E159 D163 K164 D165E157-S161 WeakPolarHBondContact O-CB 3.47Å; E157-S161 PolarHBondContact O-N 3.03Å; E159-S161 VanDerWaalsContact C-N 3.28Å; E159-S161 PolarHBondContact O-N 3.41Å; S161-D163 PolarHBondContact O-N 2.85Å; S161-D163 PolarHBondContact OG-N 3.02Å; S161-K164 PolarHBondContact O-N 2.85Å; S161-D165 WeakPolarHBondContact CB-O 3.34Å; S161-D165 PolarHBondContact OG-N 2.7Å; S161-D165 PolarHBondContact OG-O 3.02Å
162G91.8Very high97.3Very high81 Ų8167.7 Ų67.784%0.83536%0.363SS*.THydrogen-bonded Turntrans-60.7-30.8174.800000113.7K164G162-K164 VanDerWaalsContact C-N 3.33Å
163D93Very high97.4Very high143 Ų14369.1 Ų69.177%0.76536%0.357SS*.THydrogen-bonded Turntrans-90.10.6177.5-65.4-28.1000112.7S161 D165S161-D163 PolarHBondContact O-N 2.85Å; S161-D163 PolarHBondContact OG-N 3.02Å; D163-D165 PolarHBondContact O-N 3.29Å
164K96.9Very high97.4Very high104 Ų10464.6 Ų64.645%0.45233%0.333SS..SBendtrans56.134.4-175.9-61.4-171.9176.6-167.50113.4V27 R97 M158 S161 G162V27-K164 HydrophobicContact CB-CB 4.16Å; V27-K164 HydrophobicContact CB-CD 4.47Å; V27-K164 WeakPolarHBondContact O-CD 3.23Å; R97-K164 PolarHBondContact NH2-O 2.91Å; M158-K164 VanDerWaalsContact CE-O 3.29Å; M158-K164 WeakPolarHBondContact CE-O 3.37Å; M158-K164 WeakPolarHBondContact O-CA 3.43Å; S161-K164 PolarHBondContact O-N 2.85Å; G162-K164 VanDerWaalsContact C-N 3.33Å
165D97.8Very high97.5Very high25 Ų2564.8 Ų64.813%0.13434%0.335CS..SBendtrans-140158-176-166.415000111.5S161 D163 R171S161-D165 WeakPolarHBondContact CB-O 3.34Å; S161-D165 PolarHBondContact OG-N 2.7Å; S161-D165 PolarHBondContact OG-O 3.02Å; D163-D165 PolarHBondContact O-N 3.29Å; D165-R171 IonicContact OD1-NH1 3.8Å; D165-R171 IonicContact OD2-NH1 3.65Å
166T98.4Very high97.5Very high8 Ų870.2 Ų70.25%0.04936%0.363CS..  trans-68.7161.4173.754.30000112.6T143 V154 M158 T170 R171T143-T166 HydrophobicContact CG2-CG2 3.84Å; T143-T166 PolarHBondContact OG1-OG1 3.1Å; V154-T166 HydrophobicContact CG1-CG2 4.04Å; M158-T166 HydrophobicContact CG-CG2 3.76Å; M158-T166 HydrophobicContact SD-CG2 4.31Å; T166-T170 HydrophobicContact CG2-CG2 4.3Å; T166-R171 PolarHBondContact O-NH1 3.33Å; T166-R171 WeakPolarHBondContact OG1-CG 3.23Å; T166-R171 PolarHBondContact OG1-NH1 3.03Å
167T98.3Very high97.5Very high73 Ų7367.1 Ų67.145%0.44835%0.35SS..  trans-76.3158.5168.462.80000111.9E157 E169 T170 R171E157-T167 VanDerWaalsContact OE1-CB 3.23Å; E157-T167 WeakPolarHBondContact OE1-CB 3.41Å; E157-T167 WeakPolarHBondContact OE1-CG2 3.27Å; E157-T167 PolarHBondContact OE1-N 3.09Å; E157-T167 PolarHBondContact OE1-OG1 2.98Å; T167-E169 PolarHBondContact O-N 3.06Å; T167-T170 PolarHBondContact O-N 3.4Å; T167-T170 PolarHBondContact OG1-N 3.24Å; T167-T170 PolarHBondContact OG1-OG1 3.35Å; T167-R171 PolarHBondContact O-N 3.44Å; T167-R171 VanDerWaalsContact O-N 3.12Å
168L98.3Very high97.5Very high68 Ų6865.4 Ų65.436%0.35634%0.342SS..Hα-helixtrans-60.3-32.5171.9179.161.3000112R171 R172L168-R171 PolarHBondContact O-N 3.04Å; L168-R172 HydrophobicContact CD1-CG 4.46Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.32Å; L168-R172 PolarHBondContact O-N 3.4Å
169E98.4Very high97.6Very high117 Ų11769.3 Ų69.355%0.54736%0.359SS..Hα-helixtrans-65.9-46178.7-167.9-174.6150.900111.5T167 R171 R172 K173T167-E169 PolarHBondContact O-N 3.06Å; E169-R171 PolarHBondContact O-N 3.09Å; E169-R172 PolarHBondContact O-N 3.43Å; E169-K173 PolarHBondContact O-N 3.46Å; E169-K173 VanDerWaalsContact O-N 3.14Å; E169-K173 WeakPolarHBondContact OE1-CE 3.45Å; E169-K173 IonicContact OE1-NZ 3.51Å; E169-K173 PolarHBondContact OE1-NZ 3.01Å
170T98.7Very high97.7Very high19 Ų1968.3 Ų68.312%0.11736%0.358CS..Hα-helixtrans-58.6-47.9173.4-66.60000111E157 T166 T167 R172 K173 L174E157-T170 PolarHBondContact OE1-OG1 3.18Å; E157-T170 WeakPolarHBondContact OE2-CB 3.17Å; E157-T170 WeakPolarHBondContact OE2-CG2 3.38Å; E157-T170 PolarHBondContact OE2-OG1 2.91Å; T166-T170 HydrophobicContact CG2-CG2 4.3Å; T167-T170 PolarHBondContact O-N 3.4Å; T167-T170 PolarHBondContact OG1-N 3.24Å; T167-T170 PolarHBondContact OG1-OG1 3.35Å; T170-R172 VanDerWaalsContact C-N 3.29Å; T170-R172 PolarHBondContact O-N 2.86Å; T170-K173 PolarHBondContact O-N 3.22Å; T170-K173 VanDerWaalsContact O-N 3.12Å; T170-L174 HydrophobicContact CG2-CD1 3.62Å; T170-L174 HydrophobicContact CG2-CG 4.14Å; T170-L174 WeakPolarHBondContact O-CG 3.46Å; T170-L174 PolarHBondContact O-N 2.79Å
171R98.8Very high97.7Very high22 Ų2265.1 Ų65.18%0.08334%0.339CS..Hα-helixtrans-60.4-36.3178.9-68.2-165.7-66.5-875.6113.2H139 A140 V142 D165 T166 T167 L168 E169 A175H139-R171 HydrophobicContact CB-CB 4.24Å; H139-R171 WeakPolarHBondContact O-CB 3.46Å; H139-R171 WeakPolarHBondContact O-CD 3.47Å; H139-R171 PolarHBondContact O-NE 3.26Å; A140-R171 PolarHBondContact O-NE 2.9Å; A140-R171 PolarHBondContact O-NH2 3.36Å; V142-R171 VanDerWaalsContact O-CD 3.31Å; V142-R171 WeakPolarHBondContact O-CD 3.47Å; D165-R171 IonicContact OD1-NH1 3.8Å; D165-R171 IonicContact OD2-NH1 3.65Å; T166-R171 PolarHBondContact O-NH1 3.33Å; T166-R171 WeakPolarHBondContact OG1-CG 3.23Å; T166-R171 PolarHBondContact OG1-NH1 3.03Å; T167-R171 PolarHBondContact O-N 3.44Å; T167-R171 VanDerWaalsContact O-N 3.12Å; L168-R171 PolarHBondContact O-N 3.04Å; E169-R171 PolarHBondContact O-N 3.09Å; R171-A175 WeakPolarHBondContact O-CB 3.4Å; R171-A175 PolarHBondContact O-N 3.21Å
172R98.8Very high97.9Very high147 Ų14763.8 Ų63.856%0.55533%0.33SS*.Hα-helixtrans-62.5-46.1173.9-76.7169172.5168.7-1.9112L168 E169 T170 A175 L176L168-R172 HydrophobicContact CD1-CG 4.46Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.32Å; L168-R172 PolarHBondContact O-N 3.4Å; E169-R172 PolarHBondContact O-N 3.43Å; T170-R172 VanDerWaalsContact C-N 3.29Å; T170-R172 PolarHBondContact O-N 2.86Å; R172-A175 PolarHBondContact O-N 2.8Å; R172-L176 PolarHBondContact O-N 3.31Å
173K98.7Very high98.2Very high126 Ų12662.8 Ų62.855%0.54831%0.313SS..Hα-helixtrans-63-43.6178.4-69.8174.1-175.1163.80111.5E169 T170 L176 K177E169-K173 PolarHBondContact O-N 3.46Å; E169-K173 VanDerWaalsContact O-N 3.14Å; E169-K173 WeakPolarHBondContact OE1-CE 3.45Å; E169-K173 IonicContact OE1-NZ 3.51Å; E169-K173 PolarHBondContact OE1-NZ 3.01Å; T170-K173 PolarHBondContact O-N 3.22Å; T170-K173 VanDerWaalsContact O-N 3.12Å; K173-L176 WeakPolarHBondContact O-CB 3.38Å; K173-L176 PolarHBondContact O-N 2.96Å; K173-K177 PolarHBondContact O-N 2.86Å
174L98.8Very high98.3Very high9 Ų961.2 Ų61.25%0.04730%0.302CS..Hα-helixtrans-67-40.6177.8-70.9174.1000112.7T143 I144 V145 D150 V154 T170 L176 K177 A178T143-L174 HydrophobicContact CG2-CD1 3.68Å; I144-L174 HydrophobicContact CG2-CB 4.14Å; I144-L174 VanDerWaalsContact O-CB 3.24Å; I144-L174 WeakPolarHBondContact O-CB 3.43Å; I144-L174 WeakPolarHBondContact O-CD1 3.29Å; V145-L174 HydrophobicContact CG2-CD1 4.42Å; D150-L174 HydrophobicContact CB-CD2 4.12Å; V154-L174 HydrophobicContact CG2-CD1 3.87Å; T170-L174 HydrophobicContact CG2-CD1 3.62Å; T170-L174 HydrophobicContact CG2-CG 4.14Å; T170-L174 WeakPolarHBondContact O-CG 3.46Å; T170-L174 PolarHBondContact O-N 2.79Å; L174-L176 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 3.27Å; L174-K177 PolarHBondContact O-N 3.01Å; L174-A178 WeakPolarHBondContact O-CB 3.35Å; L174-A178 PolarHBondContact O-N 3.1Å
175A98.9Very high98.3Very high4 Ų457.1 Ų57.13%0.03328%0.284CS..Hα-helixtrans-63.3-40.1175.400000112.2A136 H139 I144 R171 R172 A178 F179A136-A175 HydrophobicContact CB-CB 4.12Å; H139-A175 HydrophobicContact CB-CB 3.58Å; I144-A175 HydrophobicContact CG2-CB 4.4Å; R171-A175 WeakPolarHBondContact O-CB 3.4Å; R171-A175 PolarHBondContact O-N 3.21Å; R172-A175 PolarHBondContact O-N 2.8Å; A175-A178 PolarHBondContact O-N 3.12Å; A175-F179 WeakPolarHBondContact O-CD2 3.4Å; A175-F179 PolarHBondContact O-N 2.84Å
176L98.8Very high98.4Very high118 Ų11860.1 Ų60.162%0.61830%0.299SS*.Hα-helixtrans-58.1-49.8171174.162.8000110.6R172 K173 L174 A178 F179 T180R172-L176 PolarHBondContact O-N 3.31Å; K173-L176 WeakPolarHBondContact O-CB 3.38Å; K173-L176 PolarHBondContact O-N 2.96Å; L174-L176 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 3.27Å; L176-A178 VanDerWaalsContact C-N 3.32Å; L176-A178 PolarHBondContact O-N 3.29Å; L176-F179 PolarHBondContact O-N 2.97Å; L176-T180 WeakPolarHBondContact O-CB 3.33Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-T180 PolarHBondContact O-OG1 3.46Å
177K98.6Very high98.3Very high70 Ų7065 Ų6530%0.30432%0.321SS..Hα-helixtrans-58.3-42.8178.1-169-176.9-79.8-169.20111.8D147 D150 K173 L174 T180 H181D147-K177 HydrophobicContact CB-CD 3.82Å; D147-K177 IonicContact OD2-NZ 2.75Å; D147-K177 PolarHBondContact OD2-NZ 3.11Å; D150-K177 IonicContact OD1-NZ 3.98Å; D150-K177 PolarHBondContact OD1-NZ 3.44Å; D150-K177 WeakPolarHBondContact OD2-CD 3.4Å; D150-K177 WeakPolarHBondContact OD2-CE 3.46Å; D150-K177 IonicContact OD2-NZ 3.93Å; D150-K177 PolarHBondContact OD2-NZ 3.16Å; K173-K177 PolarHBondContact O-N 2.86Å; L174-K177 PolarHBondContact O-N 3.01Å; K177-T180 PolarHBondContact O-N 3.1Å; K177-H181 WeakPolarHBondContact O-CB 3.4Å; K177-H181 PolarHBondContact O-N 3.47Å
178A98.6Very high98.2Very high0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-65.8-42.2178.800000113.5L132 A136 I144 L174 A175 L176 H181 T182L132-A178 HydrophobicContact CB-CB 4.37Å; A136-A178 HydrophobicContact CB-CB 3.92Å; I144-A178 HydrophobicContact CG1-CB 3.74Å; I144-A178 HydrophobicContact CG2-CB 4.09Å; L174-A178 WeakPolarHBondContact O-CB 3.35Å; L174-A178 PolarHBondContact O-N 3.1Å; A175-A178 PolarHBondContact O-N 3.12Å; L176-A178 VanDerWaalsContact C-N 3.32Å; L176-A178 PolarHBondContact O-N 3.29Å; A178-H181 PolarHBondContact O-N 3.08Å; A178-T182 PolarHBondContact O-N 3.2Å; A178-T182 PolarHBondContact O-OG1 3.03Å; A178-T182 VanDerWaalsContact O-OG1 3.06Å
179F98.8Very high98.2Very high82 Ų8260 Ų6036%0.3630%0.295SS..Hα-helixtrans-68.2-37.8174.1-80.5-56.2000112.2R133 A136 K137 A175 L176 T182 A183R133-F179 HydrophobicContact CB-CE1 4.06Å; R133-F179 HydrophobicContact CG-CD1 4.41Å; R133-F179 HydrophobicContact CG-CE1 4.08Å; A136-F179 HydrophobicContact CB-CD2 3.8Å; A136-F179 HydrophobicContact CB-CE1 4.33Å; A136-F179 HydrophobicContact CB-CE2 3.52Å; A136-F179 HydrophobicContact CB-CG 4.33Å; A136-F179 HydrophobicContact CB-CZ 3.81Å; K137-F179 HydrophobicContact CB-CZ 4.44Å; A175-F179 WeakPolarHBondContact O-CD2 3.4Å; A175-F179 PolarHBondContact O-N 2.84Å; L176-F179 PolarHBondContact O-N 2.97Å; F179-T182 WeakPolarHBondContact CA-OG1 3.37Å; F179-T182 PolarHBondContact O-N 3.48Å; F179-T182 PolarHBondContact O-OG1 3.35Å; F179-T182 VanDerWaalsContact O-OG1 3.11Å; F179-A183 WeakPolarHBondContact O-CB 3.24Å; F179-A183 PolarHBondContact O-N 3.13Å
180T98.6Very high98.2Very high61 Ų6156.6 Ų56.637%0.37428%0.284SS..Hα-helixtrans-61.1-44.7172.3-62.20000111.3L176 K177 T182 A183 Q184L176-T180 WeakPolarHBondContact O-CB 3.33Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-T180 PolarHBondContact O-OG1 3.46Å; K177-T180 PolarHBondContact O-N 3.1Å; T180-T182 PolarHBondContact O-N 3.07Å; T180-A183 PolarHBondContact O-N 3.19Å; T180-Q184 HydrophobicContact CG2-CG 4.48Å; T180-Q184 VanDerWaalsContact O-CG 3.31Å; T180-Q184 WeakPolarHBondContact O-CG 3.31Å; T180-Q184 PolarHBondContact O-N 3.23Å
181H97.9Very high98.1Very high55 Ų5558.1 Ų58.126%0.25529%0.292SS..Hα-helixtrans-61.9-43.8179.3-172.756.1000112.1K177 A178 Y185K177-H181 WeakPolarHBondContact O-CB 3.4Å; K177-H181 PolarHBondContact O-N 3.47Å; A178-H181 PolarHBondContact O-N 3.08Å; H181-Y185 WeakPolarHBondContact O-CB 3.26Å; H181-Y185 PolarHBondContact O-N 2.78Å
182T98.2Very high98.1Very high7 Ų758.2 Ų58.24%0.04329%0.292CS..Hα-helixtrans-70.4-34.617749.60000113V129 L132 R133 A178 F179 T180 Y185 D186V129-T182 HydrophobicContact CG1-CG2 4.09Å; V129-T182 HydrophobicContact CG2-CG2 4.48Å; L132-T182 HydrophobicContact CB-CG2 4.14Å; L132-T182 HydrophobicContact CD1-CG2 3.76Å; R133-T182 HydrophobicContact CG-CG2 4.2Å; A178-T182 PolarHBondContact O-N 3.2Å; A178-T182 PolarHBondContact O-OG1 3.03Å; A178-T182 VanDerWaalsContact O-OG1 3.06Å; F179-T182 WeakPolarHBondContact CA-OG1 3.37Å; F179-T182 PolarHBondContact O-N 3.48Å; F179-T182 PolarHBondContact O-OG1 3.35Å; F179-T182 VanDerWaalsContact O-OG1 3.11Å; T180-T182 PolarHBondContact O-N 3.07Å; T182-Y185 PolarHBondContact O-N 3.14Å; T182-D186 PolarHBondContact O-N 2.71Å; T182-D186 VanDerWaalsContact O-N 3.08Å
183A98.1Very high98Very high60 Ų6054.1 Ų54.150%0.49628%0.279SS..Hα-helixtrans-63.6-45.2173.400000112.2F179 T180 Y185 D186 E187F179-A183 WeakPolarHBondContact O-CB 3.24Å; F179-A183 PolarHBondContact O-N 3.13Å; T180-A183 PolarHBondContact O-N 3.19Å; A183-Y185 VanDerWaalsContact C-N 3.28Å; A183-Y185 PolarHBondContact O-N 3.41Å; A183-D186 PolarHBondContact O-N 2.63Å; A183-E187 WeakPolarHBondContact O-CB 3.28Å; A183-E187 PolarHBondContact O-N 2.86Å
184Q96.8Very high98Very high111 Ų11149.3 Ų49.352%0.51926%0.257SS..Hα-helixtrans-63.2-36.1175.6-71.9171.5-20.400112.2T180 A188T180-Q184 HydrophobicContact CG2-CG 4.48Å; T180-Q184 VanDerWaalsContact O-CG 3.31Å; T180-Q184 WeakPolarHBondContact O-CG 3.31Å; T180-Q184 PolarHBondContact O-N 3.23Å; Q184-A188 PolarHBondContact O-N 2.98Å; Q184-A188 VanDerWaalsContact O-N 3.1Å
185Y97.1Very high97.8Very high18 Ų1850.3 Ų50.37%0.07127%0.269CS..Hα-helixtrans-64.7-49.5178.4-168.3-103.7000111.7L103 Y104 F106 Q123 D125 V129 H181 T182 A183 E187 A188 I189L103-Y185 HydrophobicContact CB-CD2 4.24Å; L103-Y185 HydrophobicContact CB-CE2 3.99Å; L103-Y185 HydrophobicContact CD1-CD1 3.83Å; L103-Y185 HydrophobicContact CD1-CD2 3.61Å; L103-Y185 HydrophobicContact CD1-CE1 4.21Å; L103-Y185 HydrophobicContact CD1-CE2 4.05Å; L103-Y185 HydrophobicContact CD1-CG 3.5Å; L103-Y185 VanDerWaalsContact CD1-CG 3.5Å; Y104-Y185 WeakPolarHBondContact O-CE2 3.42Å; F106-Y185 HydrophobicContact CB-CD2 4.35Å; F106-Y185 HydrophobicContact CB-CE2 3.51Å; Q123-Y185 PolarHBondContact O-OH 3.35Å; D125-Y185 HydrophobicContact CB-CE1 4.36Å; D125-Y185 PolarHBondContact N-OH 2.85Å; V129-Y185 HydrophobicContact CG2-CD1 3.88Å; V129-Y185 HydrophobicContact CG2-CE1 4.01Å; H181-Y185 WeakPolarHBondContact O-CB 3.26Å; H181-Y185 PolarHBondContact O-N 2.78Å; T182-Y185 PolarHBondContact O-N 3.14Å; A183-Y185 VanDerWaalsContact C-N 3.28Å; A183-Y185 PolarHBondContact O-N 3.41Å; Y185-E187 VanDerWaalsContact C-N 3.34Å; Y185-E187 PolarHBondContact O-N 2.94Å; Y185-A188 PolarHBondContact O-N 3.43Å; Y185-I189 HydrophobicContact CD1-CD1 3.63Å; Y185-I189 HydrophobicContact CE1-CD1 3.44Å; Y185-I189 VanDerWaalsContact CE1-CD1 3.44Å; Y185-I189 WeakPolarHBondContact O-CG1 3.38Å; Y185-I189 PolarHBondContact O-N 2.82Å; Y185-I189 VanDerWaalsContact O-N 3.1Å
186D97.9Very high97.7Very high87 Ų8754.7 Ų54.747%0.46529%0.289SS..Hα-helixtrans-69-32.4178.2-74.6-4.4000112.1T182 A183 I189 S190T182-D186 PolarHBondContact O-N 2.71Å; T182-D186 VanDerWaalsContact O-N 3.08Å; A183-D186 PolarHBondContact O-N 2.63Å; D186-I189 PolarHBondContact O-N 3.14Å; D186-S190 VanDerWaalsContact O-CB 3.32Å; D186-S190 WeakPolarHBondContact O-CB 3.32Å; D186-S190 PolarHBondContact O-N 3.12Å; D186-S190 PolarHBondContact O-OG 2.9Å
187E97.6Very high97.6Very high110 Ų11055.9 Ų55.951%0.51429%0.287SS..Hα-helixtrans-58.3-49.1171.7-177178.1-175.700110.8A183 Y185 I189 S190 D191A183-E187 WeakPolarHBondContact O-CB 3.28Å; A183-E187 PolarHBondContact O-N 2.86Å; Y185-E187 VanDerWaalsContact C-N 3.34Å; Y185-E187 PolarHBondContact O-N 2.94Å; E187-I189 PolarHBondContact O-N 3.25Å; E187-S190 PolarHBondContact O-N 3.03Å; E187-S190 PolarHBondContact O-OG 2.68Å; E187-D191 WeakPolarHBondContact O-CB 3.43Å; E187-D191 PolarHBondContact O-N 3.01Å
188A96.8Very high97.6Very high21 Ų2153.6 Ų53.617%0.17428%0.279CS..Hα-helixtrans-62-41.2178.200000112.7F106 V107 Q184 Y185 Y192F106-A188 HydrophobicContact CD1-CB 4.21Å; V107-A188 HydrophobicContact CG2-CB 3.93Å; Q184-A188 PolarHBondContact O-N 2.98Å; Q184-A188 VanDerWaalsContact O-N 3.1Å; Y185-A188 PolarHBondContact O-N 3.43Å; A188-Y192 WeakPolarHBondContact O-CB 2.97Å; A188-Y192 PolarHBondContact O-N 2.85Å
189I97.3Very high97.5Very high16 Ų1662.1 Ų62.18%0.08231%0.311CS..Hα-helixtrans-63.2-47.9175.4-67.7165.8000110.5F106 I124 Y185 D186 E187 D191 Y192 F193F106-I189 HydrophobicContact CD1-CG1 3.85Å; F106-I189 HydrophobicContact CD2-CG1 4.37Å; F106-I189 HydrophobicContact CE1-CB 4.27Å; F106-I189 HydrophobicContact CE1-CG1 3.69Å; F106-I189 HydrophobicContact CE2-CG1 4.23Å; F106-I189 HydrophobicContact CG-CG1 4.2Å; F106-I189 HydrophobicContact CZ-CB 4.45Å; F106-I189 HydrophobicContact CZ-CG1 3.89Å; I124-I189 HydrophobicContact CD1-CG2 4.08Å; I124-I189 HydrophobicContact CG1-CD1 4.2Å; I124-I189 HydrophobicContact CG1-CG1 4.39Å; I124-I189 HydrophobicContact CG2-CD1 3.9Å; Y185-I189 HydrophobicContact CD1-CD1 3.63Å; Y185-I189 HydrophobicContact CE1-CD1 3.44Å; Y185-I189 VanDerWaalsContact CE1-CD1 3.44Å; Y185-I189 WeakPolarHBondContact O-CG1 3.38Å; Y185-I189 PolarHBondContact O-N 2.82Å; Y185-I189 VanDerWaalsContact O-N 3.1Å; D186-I189 PolarHBondContact O-N 3.14Å; E187-I189 PolarHBondContact O-N 3.25Å; I189-D191 VanDerWaalsContact C-N 3.31Å; I189-D191 PolarHBondContact O-N 3.39Å; I189-Y192 PolarHBondContact O-N 2.94Å; I189-F193 HydrophobicContact CG2-CD2 3.75Å; I189-F193 HydrophobicContact CG2-CE2 3.55Å; I189-F193 HydrophobicContact CG2-CZ 4.42Å; I189-F193 PolarHBondContact O-N 2.67Å
190S98Very high97.3Very high45 Ų4560.9 Ų60.932%0.31532%0.322SS..Hα-helixtrans-64.3-36.7-178.976.30000112.2D186 E187 R194D186-S190 VanDerWaalsContact O-CB 3.32Å; D186-S190 WeakPolarHBondContact O-CB 3.32Å; D186-S190 PolarHBondContact O-N 3.12Å; D186-S190 PolarHBondContact O-OG 2.9Å; E187-S190 PolarHBondContact O-N 3.03Å; E187-S190 PolarHBondContact O-OG 2.68Å; S190-R194 WeakPolarHBondContact O-CB 3.45Å; S190-R194 WeakPolarHBondContact O-CG 3.45Å; S190-R194 PolarHBondContact O-N 3.29Å; S190-R194 PolarHBondContact O-NH1 3.48Å; S190-R194 PolarHBondContact OG-NH1 2.89Å
191D97.9Very high97.3Very high52 Ų5261 Ų6128%0.27832%0.322SS..Hα-helixtrans-67.6-43.6176-162.459.4000112.1E187 I189 F193 R194 G195 Q218E187-D191 WeakPolarHBondContact O-CB 3.43Å; E187-D191 PolarHBondContact O-N 3.01Å; I189-D191 VanDerWaalsContact C-N 3.31Å; I189-D191 PolarHBondContact O-N 3.39Å; D191-F193 PolarHBondContact O-N 2.98Å; D191-R194 VanDerWaalsContact CB-NH2 3.25Å; D191-R194 PolarHBondContact O-N 2.92Å; D191-R194 IonicContact OD1-CZ 3.73Å; D191-R194 IonicContact OD1-NE 3.61Å; D191-R194 IonicContact OD1-NH2 2.72Å; D191-R194 PolarHBondContact OD1-NH2 2.92Å; D191-G195 PolarHBondContact O-N 3.13Å; D191-Q218 PolarHBondContact OD1-NE2 3.35Å; D191-Q218 PolarHBondContact OD2-NE2 2.85Å
192Y97.1Very high97.3Very high23 Ų2358.8 Ų58.89%0.0931%0.313CS..Hα-helixtrans-56.8-50.8173.3179.1-100.4000111.3F106 I110 V117 A120 A188 I189 R194 G195 Q196F106-Y192 HydrophobicContact CZ-CD1 4.07Å; F106-Y192 HydrophobicContact CZ-CG 4.09Å; I110-Y192 HydrophobicContact CB-CD2 4.01Å; I110-Y192 HydrophobicContact CB-CE2 4.11Å; I110-Y192 HydrophobicContact CD1-CD2 4.12Å; I110-Y192 HydrophobicContact CG2-CD2 3.74Å; I110-Y192 HydrophobicContact CG2-CE2 3.82Å; I110-Y192 HydrophobicContact CG2-CG 4.2Å; V117-Y192 WeakPolarHBondContact CA-OH 3.49Å; A120-Y192 HydrophobicContact CB-CE1 3.73Å; A120-Y192 HydrophobicContact CB-CE2 4.47Å; A188-Y192 WeakPolarHBondContact O-CB 2.97Å; A188-Y192 PolarHBondContact O-N 2.85Å; I189-Y192 PolarHBondContact O-N 2.94Å; Y192-R194 PolarHBondContact O-N 3.37Å; Y192-G195 PolarHBondContact O-N 3.09Å; Y192-G195 VanDerWaalsContact O-N 3.13Å; Y192-Q196 HydrophobicContact CD1-CG 4.11Å; Y192-Q196 HydrophobicContact CD2-CG 4.34Å; Y192-Q196 HydrophobicContact CE1-CG 3.68Å; Y192-Q196 HydrophobicContact CE2-CG 3.95Å; Y192-Q196 HydrophobicContact CG-CG 4.42Å; Y192-Q196 WeakPolarHBondContact O-CG 3.45Å; Y192-Q196 PolarHBondContact O-N 3.04Å
193F97.8Very high97.3Very high61 Ų6159 Ų5927%0.26831%0.313SS..Hα-helixtrans-66.3-34.1178.9-73.1-34.9000113.8V121 I124 I189 D191 G195 Q196 Y197V121-F193 HydrophobicContact CG2-CE1 4.01Å; V121-F193 HydrophobicContact CG2-CZ 4.05Å; I124-F193 HydrophobicContact CD1-CE2 4.14Å; I124-F193 HydrophobicContact CD1-CZ 3.82Å; I189-F193 HydrophobicContact CG2-CD2 3.75Å; I189-F193 HydrophobicContact CG2-CE2 3.55Å; I189-F193 HydrophobicContact CG2-CZ 4.42Å; I189-F193 PolarHBondContact O-N 2.67Å; D191-F193 PolarHBondContact O-N 2.98Å; F193-G195 VanDerWaalsContact C-N 3.31Å; F193-G195 PolarHBondContact O-N 2.85Å; F193-Q196 PolarHBondContact O-N 3.44Å; F193-Y197 HydrophobicContact CB-CD2 4Å; F193-Y197 HydrophobicContact CB-CE2 4.32Å; F193-Y197 AromaticContact CD1-CD2 3.75Å; F193-Y197 HydrophobicContact CD1-CD2 3.75Å; F193-Y197 AromaticContact CD1-CE2 3.18Å; F193-Y197 HydrophobicContact CD1-CE2 3.18Å; F193-Y197 AromaticContact CD1-CZ 3.97Å; F193-Y197 AromaticContact CE1-CE2 3.59Å; F193-Y197 HydrophobicContact CE1-CE2 3.59Å; F193-Y197 HydrophobicContact CG-CD2 4.11Å; F193-Y197 AromaticContact CG-CE2 3.92Å; F193-Y197 HydrophobicContact CG-CE2 3.92Å; F193-Y197 WeakPolarHBondContact O-CB 3.21Å; F193-Y197 PolarHBondContact O-N 3.29Å
194R97.9Very high97.3Very high26 Ų2657.9 Ų57.910%0.09830%0.299CS..Hα-helixtrans-58.6-45.9170.2-81.5-171.3-57.2-86.63.4110.9S190 D191 Y192 S198 R199 Q203S190-R194 WeakPolarHBondContact O-CB 3.45Å; S190-R194 WeakPolarHBondContact O-CG 3.45Å; S190-R194 PolarHBondContact O-N 3.29Å; S190-R194 PolarHBondContact O-NH1 3.48Å; S190-R194 PolarHBondContact OG-NH1 2.89Å; D191-R194 VanDerWaalsContact CB-NH2 3.25Å; D191-R194 PolarHBondContact O-N 2.92Å; D191-R194 IonicContact OD1-CZ 3.73Å; D191-R194 IonicContact OD1-NE 3.61Å; D191-R194 IonicContact OD1-NH2 2.72Å; D191-R194 PolarHBondContact OD1-NH2 2.92Å; Y192-R194 PolarHBondContact O-N 3.37Å; R194-S198 CarbonylContact O-C 3.5Å; R194-S198 WeakPolarHBondContact O-CA 3.26Å; R194-S198 WeakPolarHBondContact O-CB 3.45Å; R194-S198 PolarHBondContact O-N 3.04Å; R194-R199 PolarHBondContact O-N 3.47Å; R194-Q203 HydrophobicContact CB-CB 4.12Å; R194-Q203 HydrophobicContact CB-CG 4.39Å
195G95.9Very high97.4Very high29 Ų2955.2 Ų55.230%0.29929%0.291SS..Hα-helixtrans-65.4-37.1177.800000114.2D191 Y192 F193D191-G195 PolarHBondContact O-N 3.13Å; Y192-G195 PolarHBondContact O-N 3.09Å; Y192-G195 VanDerWaalsContact O-N 3.13Å; F193-G195 VanDerWaalsContact C-N 3.31Å; F193-G195 PolarHBondContact O-N 2.85Å
196Q95.6Very high97.5Very high96 Ų9655.1 Ų55.145%0.44929%0.292SS..Hα-helixtrans-80.1-42.2-179.3-64.8-53-42.300113.4V117 Y192 F193V117-Q196 HydrophobicContact CG2-CG 4.17Å; Y192-Q196 HydrophobicContact CD1-CG 4.11Å; Y192-Q196 HydrophobicContact CD2-CG 4.34Å; Y192-Q196 HydrophobicContact CE1-CG 3.68Å; Y192-Q196 HydrophobicContact CE2-CG 3.95Å; Y192-Q196 HydrophobicContact CG-CG 4.42Å; Y192-Q196 WeakPolarHBondContact O-CG 3.45Å; Y192-Q196 PolarHBondContact O-N 3.04Å; F193-Q196 PolarHBondContact O-N 3.44Å
197Y97.6Very high97.5Very high144 Ų14458.5 Ų58.557%0.56530%0.298SS*.Hα-helixtrans-115-15.2-166.4-53.3-39.8000114.7V117 F193V117-Y197 HydrophobicContact CG1-CE1 4.16Å; V117-Y197 WeakPolarHBondContact CG1-OH 3.38Å; F193-Y197 HydrophobicContact CB-CD2 4Å; F193-Y197 HydrophobicContact CB-CE2 4.32Å; F193-Y197 AromaticContact CD1-CD2 3.75Å; F193-Y197 HydrophobicContact CD1-CD2 3.75Å; F193-Y197 AromaticContact CD1-CE2 3.18Å; F193-Y197 HydrophobicContact CD1-CE2 3.18Å; F193-Y197 AromaticContact CD1-CZ 3.97Å; F193-Y197 AromaticContact CE1-CE2 3.59Å; F193-Y197 HydrophobicContact CE1-CE2 3.59Å; F193-Y197 HydrophobicContact CG-CD2 4.11Å; F193-Y197 AromaticContact CG-CE2 3.92Å; F193-Y197 HydrophobicContact CG-CE2 3.92Å; F193-Y197 WeakPolarHBondContact O-CB 3.21Å; F193-Y197 PolarHBondContact O-N 3.29Å
198S97.8Very high97.5Very high21 Ų2157.3 Ų57.315%0.14729%0.289CS..  trans-125.922.2-172.9-1560000113.4R194 G200 V201 S202 Q203R194-S198 CarbonylContact O-C 3.5Å; R194-S198 WeakPolarHBondContact O-CA 3.26Å; R194-S198 WeakPolarHBondContact O-CB 3.45Å; R194-S198 PolarHBondContact O-N 3.04Å; S198-G200 PolarHBondContact O-N 3.49Å; S198-V201 PolarHBondContact O-N 3.36Å; S198-S202 VanDerWaalsContact CB-OG 3.26Å; S198-S202 WeakPolarHBondContact CB-OG 3.5Å; S198-S202 PolarHBondContact O-N 3.05Å; S198-S202 VanDerWaalsContact O-N 3.09Å; S198-S202 WeakPolarHBondContact OG-CB 3.36Å; S198-S202 PolarHBondContact OG-N 3.38Å; S198-S202 PolarHBondContact OG-OG 3.08Å; S198-Q203 PolarHBondContact O-N 2.93Å; S198-Q203 VanDerWaalsContact O-N 3.13Å
199R96.7Very high97.6Very high179 Ų17956.6 Ų56.668%0.67528%0.284SS*.BIsolated β-bridgetrans-64.5124.8175.7-174.3177.6178.6169.62.7110.2R194 V201 Q203R194-R199 PolarHBondContact O-N 3.47Å; R199-V201 VanDerWaalsContact C-N 3.26Å; R199-Q203 CarbonylContact C-O 3.47Å
200G95.4Very high97.6Very high56 Ų5660.1 Ų60.158%0.57730%0.301SS*.THydrogen-bonded Turntrans80.7-0.2-173.300000114.5S198 Q203S198-G200 PolarHBondContact O-N 3.49Å; G200-Q203 PolarHBondContact N-O 2.83Å
201V98Very high97.7Very high65 Ų6561.5 Ų61.539%0.39431%0.305SS..THydrogen-bonded Turntrans-115.4-76.3-178.6-178.10000110.2S198 R199 E225 L226S198-V201 PolarHBondContact O-N 3.36Å; R199-V201 VanDerWaalsContact C-N 3.26Å; V201-E225 HydrophobicContact CG1-CB 4.35Å; V201-E225 HydrophobicContact CG1-CG 3.76Å; V201-L226 PolarHBondContact O-N 2.86Å
202S98.3Very high97.7Very high7 Ų763.5 Ų63.55%0.04932%0.321CS..THydrogen-bonded Turntrans-103.2-1.3174.171.30000114.1S198 F220 T221 S224S198-S202 VanDerWaalsContact CB-OG 3.26Å; S198-S202 WeakPolarHBondContact CB-OG 3.5Å; S198-S202 PolarHBondContact O-N 3.05Å; S198-S202 VanDerWaalsContact O-N 3.09Å; S198-S202 WeakPolarHBondContact OG-CB 3.36Å; S198-S202 PolarHBondContact OG-N 3.38Å; S198-S202 PolarHBondContact OG-OG 3.08Å; S202-F220 CarbonylContact O-C 3.57Å; S202-F220 WeakPolarHBondContact O-CA 3.37Å; S202-F220 WeakPolarHBondContact O-CB 3.45Å; S202-T221 PolarHBondContact O-N 2.86Å; S202-S224 WeakPolarHBondContact CB-O 3.47Å
203Q98.5Very high97.7Very high12 Ų1269.8 Ų69.86%0.05635%0.351CS..EExtended strand (participates in β ladder)trans-139.5138.9179-170.4-80.6-22.300110.4R194 S198 R199 G200 Q218 F220R194-Q203 HydrophobicContact CB-CB 4.12Å; R194-Q203 HydrophobicContact CB-CG 4.39Å; S198-Q203 PolarHBondContact O-N 2.93Å; S198-Q203 VanDerWaalsContact O-N 3.13Å; R199-Q203 CarbonylContact C-O 3.47Å; G200-Q203 PolarHBondContact N-O 2.83Å; Q203-Q218 VanDerWaalsContact CG-OE1 3.23Å; Q203-F220 HydrophobicContact CB-CB 4.28Å; Q203-F220 HydrophobicContact CG-CB 4.15Å
204L98.3Very high97.8Very high36 Ų3670.9 Ų70.919%0.18836%0.357CS..EExtended strand (participates in β ladder)trans-132.3120.2173.9-171.175.3000109.9Q218 I219 L226 V230 P235L204-Q218 WeakPolarHBondContact O-CA 3.35Å; L204-I219 HydrophobicContact CB-CG2 3.7Å; L204-I219 HydrophobicContact CD2-CG2 4.25Å; L204-I219 PolarHBondContact N-O 2.8Å; L204-I219 PolarHBondContact O-N 3.24Å; L204-L226 HydrophobicContact CB-CD1 4.19Å; L204-V230 HydrophobicContact CD2-CG2 4.02Å; L204-P235 HydrophobicContact CD2-CG 3.76Å
205P98Very high97.7Very high55 Ų5572.8 Ų72.836%0.35738%0.379SS..EExtended strand (participates in β ladder)trans-72.2143.3175.229.9-33.7000110.6
206L98.6Very high97.8Very high16 Ų1677.8 Ų77.88%0.08441%0.405CS..EExtended strand (participates in β ladder)trans-114.3151.3177.7-54.7175.6000109.6Y208 A217 I219 F237 L240L206-Y208 VanDerWaalsContact C-N 3.28Å; L206-Y208 PolarHBondContact O-N 3.47Å; L206-A217 HydrophobicContact CB-CB 4.05Å; L206-A217 PolarHBondContact N-O 3.41Å; L206-I219 HydrophobicContact CD2-CG2 4.42Å; L206-F237 HydrophobicContact CD1-CB 4.21Å; L206-F237 HydrophobicContact CD1-CD2 3.93Å; L206-L240 HydrophobicContact CD1-CD1 3.87Å; L206-L240 HydrophobicContact CD2-CD1 3.74Å; L206-L240 HydrophobicContact CG-CD1 4.44Å
207R97.9Very high97.9Very high158 Ų15874 Ų7460%0.59639%0.391SS*.SBendtrans-58.5-41.6-179.2-69.1-177-75.5-157.1-6.5112.4
208Y98.6Very high98Very high85 Ų8570.1 Ų70.133%0.33338%0.378SS..  trans-166.5172.2178.350.2-100.1000108.4L206 P212 Q214L206-Y208 VanDerWaalsContact C-N 3.28Å; L206-Y208 PolarHBondContact O-N 3.47Å; Y208-P212 HydrophobicContact CD1-CB 4.46Å; Y208-P212 HydrophobicContact CE1-CG 4.46Å; Y208-P212 HydrophobicContact CE2-CG 4.37Å; Y208-Q214 CarbonylContact C-O 3.54Å
209G98.4Very high98Very high7 Ų770.7 Ų70.77%0.07238%0.379CS..SBendtrans-79.3-132.9178.500000112.6N211 Q214 F237G209-N211 VanDerWaalsContact C-N 3.27Å; G209-N211 PolarHBondContact O-N 3.32Å; G209-Q214 PolarHBondContact N-O 2.96Å; G209-F237 VanDerWaalsContact O-CB 3.25Å; G209-F237 WeakPolarHBondContact O-CB 3.34Å
210M98.3Very high98.1Very high89 Ų8966.2 Ų66.244%0.43836%0.364SS..SBendtrans-63.4-34.3-178.8-164.164.265.600112.3F237 I238M210-F237 HydrophobicContact CE-CD1 4.06Å; M210-F237 HydrophobicContact CE-CE1 3.74Å; M210-I238 HydrophobicContact SD-CD1 3.86Å; M210-I238 HydrophobicContact SD-CG1 3.59Å; M210-I238 VanDerWaalsContact SD-CG1 3.59Å
211N98.4Very high98.3Very high75 Ų7564.4 Ų64.440%0.40134%0.342SS..SBendtrans-134.2157.2-179.6-60.5-82.1000111.4G209 H213 Q214G209-N211 VanDerWaalsContact C-N 3.27Å; G209-N211 PolarHBondContact O-N 3.32Å; N211-H213 VanDerWaalsContact C-N 3.26Å; N211-H213 PolarHBondContact O-N 3.01Å; N211-H213 VanDerWaalsContact O-N 3.1Å; N211-Q214 HydrophobicContact CB-CG 4.48Å; N211-Q214 PolarHBondContact ND2-OE1 2.67Å; N211-Q214 WeakPolarHBondContact O-CB 3.37Å; N211-Q214 PolarHBondContact O-N 3.42Å
212P98.5Very high98.3Very high93 Ų9368.2 Ų68.260%0.60436%0.36SS*.THydrogen-bonded Turntrans-53.8-33.4-176-30.636.8000116.2Y208 Q214Y208-P212 HydrophobicContact CD1-CB 4.46Å; Y208-P212 HydrophobicContact CE1-CG 4.46Å; Y208-P212 HydrophobicContact CE2-CG 4.37Å; P212-Q214 PolarHBondContact O-N 2.89Å
213H98.2Very high98.2Very high156 Ų15672.5 Ų72.572%0.72238%0.375SS*.THydrogen-bonded Turntrans-75.2-10.7179.870.8-83.9000113.7N211 A215N211-H213 VanDerWaalsContact C-N 3.26Å; N211-H213 PolarHBondContact O-N 3.01Å; N211-H213 VanDerWaalsContact O-N 3.1Å; H213-A215 PolarHBondContact O-N 2.69Å
214Q98.4Very high98.2Very high83 Ų8376.7 Ų76.739%0.38841%0.406SS..SBendtrans-94.774.5-178.2-59.3177.2-90.400109.7Y208 G209 N211 P212Y208-Q214 CarbonylContact C-O 3.54Å; G209-Q214 PolarHBondContact N-O 2.96Å; N211-Q214 HydrophobicContact CB-CG 4.48Å; N211-Q214 PolarHBondContact ND2-OE1 2.67Å; N211-Q214 WeakPolarHBondContact O-CB 3.37Å; N211-Q214 PolarHBondContact O-N 3.42Å; P212-Q214 PolarHBondContact O-N 2.89Å
215A97.3Very high98.2Very high67 Ų6780.3 Ų80.355%0.55442%0.422SS*.  trans-124.8145.6177.500000110.5H213H213-A215 PolarHBondContact O-N 2.69Å
216P97.1Very high98.2Very high133 Ų13378.7 Ų78.786%0.86441%0.41SS*.SBendcis-78.3169.62.933.8-36.8000113.9
217A98.5Very high98.2Very high17 Ų1779 Ų7914%0.1441%0.412CS..EExtended strand (participates in β ladder)trans-145156.6170.800000111.3L206 F237L206-A217 HydrophobicContact CB-CB 4.05Å; L206-A217 PolarHBondContact N-O 3.41Å; A217-F237 HydrophobicContact CB-CD2 4.45Å
218Q98.7Very high98.2Very high62 Ų6272.2 Ų72.229%0.2939%0.388SS..EExtended strand (participates in β ladder)trans-152.8161.1-179.957.2175.8-27.900112.2D191 Q203 L204 F220D191-Q218 PolarHBondContact OD1-NE2 3.35Å; D191-Q218 PolarHBondContact OD2-NE2 2.85Å; Q203-Q218 VanDerWaalsContact CG-OE1 3.23Å; L204-Q218 WeakPolarHBondContact O-CA 3.35Å; Q218-F220 HydrophobicContact CG-CD1 4.3Å
219I98.6Very high98.1Very high34 Ų3474.2 Ų74.217%0.17440%0.399CS..EExtended strand (participates in β ladder)trans-116.4140.2157.9-178.3171000108.3L204 L206 L226 L240 L244L204-I219 HydrophobicContact CB-CG2 3.7Å; L204-I219 HydrophobicContact CD2-CG2 4.25Å; L204-I219 PolarHBondContact N-O 2.8Å; L204-I219 PolarHBondContact O-N 3.24Å; L206-I219 HydrophobicContact CD2-CG2 4.42Å; I219-L226 HydrophobicContact CG1-CD2 4.41Å; I219-L240 HydrophobicContact CB-CD1 3.89Å; I219-L240 HydrophobicContact CD1-CD1 3.98Å; I219-L240 HydrophobicContact CD1-CD2 4.26Å; I219-L240 HydrophobicContact CG2-CD1 3.65Å; I219-L244 HydrophobicContact CD1-CD1 4.33Å
220F98.7Very high98.1Very high84 Ų8476.7 Ų76.737%0.36841%0.412SS..EExtended strand (participates in β ladder)trans-148.3169.3177.269.6-89.6000111.2S202 Q203 Q218 L222S202-F220 CarbonylContact O-C 3.57Å; S202-F220 WeakPolarHBondContact O-CA 3.37Å; S202-F220 WeakPolarHBondContact O-CB 3.45Å; Q203-F220 HydrophobicContact CB-CB 4.28Å; Q203-F220 HydrophobicContact CG-CB 4.15Å; Q218-F220 HydrophobicContact CG-CD1 4.3Å; F220-L222 HydrophobicContact CD2-CD2 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.98Å
221T98.6Very high98.1Very high18 Ų1874.7 Ų74.711%0.1141%0.409CS..  trans-129.7155.7171-178.20000110.7S202 R223 E225 L226S202-T221 PolarHBondContact O-N 2.86Å; T221-R223 VanDerWaalsContact C-N 3.27Å; T221-R223 HydrophobicContact CG2-CB 4.27Å; T221-R223 PolarHBondContact OG1-N 3.06Å; T221-R223 VanDerWaalsContact OG1-N 3.12Å; T221-E225 WeakPolarHBondContact CG2-O 3.39Å; T221-L226 HydrophobicContact CG2-CD2 3.93Å; T221-L226 HydrophobicContact CG2-CG 4.1Å
222L97.9Very high98.2Very high145 Ų14572.9 Ų72.976%0.75940%0.4SS*.SBendtrans-85.7-2.7170.1-57.6-178.1000112.4F220F220-L222 HydrophobicContact CD2-CD2 4.45Å; F220-L222 HydrophobicContact CE2-CD2 3.98Å
223R97.9Very high98.1Very high97 Ų9769.9 Ų69.937%0.36639%0.386SS..SBendtrans-84.4175.4172-57.4-172.4-177.3179.74.7110.6T221 E225 E372 D374T221-R223 VanDerWaalsContact C-N 3.27Å; T221-R223 HydrophobicContact CG2-CB 4.27Å; T221-R223 PolarHBondContact OG1-N 3.06Å; T221-R223 VanDerWaalsContact OG1-N 3.12Å; R223-E225 VanDerWaalsContact C-N 3.32Å; R223-E225 PolarHBondContact O-N 2.95Å; R223-E372 PolarHBondContact NH1-O 2.92Å; R223-E372 PolarHBondContact NH2-O 3.28Å; R223-D374 IonicContact CZ-OD1 3.72Å; R223-D374 IonicContact NE-OD1 2.93Å; R223-D374 IonicContact NH2-OD1 3.43Å; R223-D374 PolarHBondContact NH2-OD1 3.29Å
224S97.1Very high98.1Very high101 Ų10165.3 Ų65.371%0.70637%0.371SS*.SBendtrans-63.7-35.2179.451.60000113.3S202S202-S224 WeakPolarHBondContact CB-O 3.47Å
225E98.1Very high98.1Very high112 Ų11261.7 Ų61.752%0.52336%0.355SS..SBendtrans-144.9149.4-176.2-54.3-171.1-179.500110.9V201 T221 R223V201-E225 HydrophobicContact CG1-CB 4.35Å; V201-E225 HydrophobicContact CG1-CG 3.76Å; T221-E225 WeakPolarHBondContact CG2-O 3.39Å; R223-E225 VanDerWaalsContact C-N 3.32Å; R223-E225 PolarHBondContact O-N 2.95Å
226L98.6Very high98.2Very high21 Ų2159 Ų5911%0.1133%0.334CS..  trans-66.4137.8167.8-74.3165.1000109.3V201 L204 I219 T221 L228V201-L226 PolarHBondContact O-N 2.86Å; L204-L226 HydrophobicContact CB-CD1 4.19Å; I219-L226 HydrophobicContact CG1-CD2 4.41Å; T221-L226 HydrophobicContact CG2-CD2 3.93Å; T221-L226 HydrophobicContact CG2-CG 4.1Å; L226-L228 PolarHBondContact O-N 3.22Å; L226-L228 VanDerWaalsContact O-N 3.13Å
227P98.4Very high98.3Very high21 Ų2156 Ų5614%0.13631%0.307CS..SBendtrans-70.7-5172.433.6-38.3000112.4M367 D368 Y371P227-M367 HydrophobicContact CB-SD 3.87Å; P227-M367 HydrophobicContact CG-SD 4.03Å; P227-M367 CarbonylContact O-C 3.51Å; P227-D368 HydrophobicContact CB-CB 4.02Å; P227-D368 PolarHBondContact O-N 2.75Å; P227-Y371 HydrophobicContact CB-CD1 4.04Å; P227-Y371 HydrophobicContact CB-CD2 3.55Å; P227-Y371 HydrophobicContact CB-CE2 4.22Å; P227-Y371 HydrophobicContact CB-CG 3.43Å; P227-Y371 VanDerWaalsContact CB-CG 3.43Å; P227-Y371 HydrophobicContact CG-CD1 3.86Å; P227-Y371 HydrophobicContact CG-CD2 3.66Å; P227-Y371 HydrophobicContact CG-CE1 4.02Å; P227-Y371 HydrophobicContact CG-CE2 3.81Å; P227-Y371 HydrophobicContact CG-CG 3.67Å
228L97.4Very high98.3Very high17 Ų1757.8 Ų57.89%0.08931%0.314CS..EExtended strand (participates in β ladder)trans-108.3126.2-176.1-175.771.8000110.1L226 L240 I342 L365 Q366 M367L226-L228 PolarHBondContact O-N 3.22Å; L226-L228 VanDerWaalsContact O-N 3.13Å; L228-L240 HydrophobicContact CD2-CD2 3.51Å; L228-I342 HydrophobicContact CD1-CD1 3.69Å; L228-I342 HydrophobicContact CD1-CG1 4.33Å; L228-L365 HydrophobicContact CD1-CB 3.71Å; L228-L365 HydrophobicContact CD1-CD1 4.09Å; L228-L365 HydrophobicContact CD1-CG 4.33Å; L228-L365 HydrophobicContact CD2-CD1 4.13Å; L228-L365 HydrophobicContact CD2-CD2 4.44Å; L228-Q366 CarbonylContact C-O 3.58Å; L228-Q366 WeakPolarHBondContact CA-O 3.26Å; L228-M367 HydrophobicContact CB-CE 4.45Å; L228-M367 HydrophobicContact CD1-CE 4.04Å
229K98.1Very high98.3Very high127 Ų12756 Ų5655%0.55231%0.306SS*.EExtended strand (participates in β ladder)trans-113.4139.3174.3-63.2-179.2-178.8177.90110.8L365 Q366K229-L365 CarbonylContact O-C 3.59Å; K229-L365 WeakPolarHBondContact O-CA 3.46Å; K229-Q366 HydrophobicContact CB-CB 4.43Å; K229-Q366 PolarHBondContact N-O 2.89Å; K229-Q366 PolarHBondContact O-N 2.93Å
230V98.6Very high98.3Very high59 Ų5954.8 Ų54.836%0.35830%0.3SS..EExtended strand (participates in β ladder)trans-89.4108.6174.7-176.30000108.5L204 G233 P235 L365L204-V230 HydrophobicContact CD2-CG2 4.02Å; V230-G233 WeakPolarHBondContact CG1-O 3.49Å; V230-P235 HydrophobicContact CG2-CG 4.22Å; V230-L365 HydrophobicContact CB-CD2 4.48Å; V230-L365 HydrophobicContact CG2-CD2 3.96Å
231A98.2Very high98.3Very high46 Ų4652.4 Ų52.438%0.3829%0.293SS..EExtended strand (participates in β ladder)trans-86-29.3178.900000112.5L351 V364A231-L351 HydrophobicContact CB-CD1 4.26Å; A231-V364 HydrophobicContact CB-CB 4.3Å; A231-V364 HydrophobicContact CB-CG1 4.02Å; A231-V364 PolarHBondContact N-O 3.43Å
232N98.7Very high98.3Very high38 Ų3852 Ų5220%0.20329%0.29CS..EExtended strand (participates in β ladder)trans-156.6152.8174.7-169.275.6000111.1G360 Y362 V364N232-G360 PolarHBondContact ND2-O 3.16Å; N232-Y362 CarbonylContact C-O 3.5Å; N232-Y362 PolarHBondContact ND2-O 2.78Å; N232-V364 HydrophobicContact CB-CB 3.93Å; N232-V364 HydrophobicContact CB-CG2 3.91Å; N232-V364 PolarHBondContact N-O 2.85Å; N232-V364 PolarHBondContact O-N 3.33Å
233G98.1Very high98.4Very high30 Ų3045 Ų4531%0.30925%0.254SS..SBendtrans68.2-151.2177.500000113.4V230V230-G233 WeakPolarHBondContact CG1-O 3.49Å
234S97.6Very high98.4Very high60 Ų6043.4 Ų43.442%0.4225%0.252SS..  trans-148.5130.7175.552.90000111.3
235P98.4Very high98.5Very high7 Ų739.8 Ų39.85%0.04523%0.225CC..  trans-74.5142.1176.730.1-34.1000111.5L204 V230 N239 L240 L365L204-P235 HydrophobicContact CD2-CG 3.76Å; V230-P235 HydrophobicContact CG2-CG 4.22Å; P235-N239 HydrophobicContact CB-CB 4.4Å; P235-L240 HydrophobicContact CB-CD2 4.03Å; P235-L240 HydrophobicContact CB-CG 4.08Å; P235-L240 HydrophobicContact CG-CD2 4.27Å; P235-L365 HydrophobicContact CB-CD1 4.5Å; P235-L365 HydrophobicContact CB-CD2 4.31Å; P235-L365 HydrophobicContact CG-CD2 4.15Å
236G98.4Very high98.5Very high10 Ų1034.4 Ų34.410%0.10320%0.2CC..  trans-89174.1162.100000112.6N239 L240G236-N239 PolarHBondContact N-OD1 2.73Å; G236-N239 WeakPolarHBondContact O-CB 3.37Å; G236-N239 PolarHBondContact O-N 2.86Å; G236-L240 PolarHBondContact O-N 2.91Å; G236-L240 VanDerWaalsContact O-N 3.17Å
237F98.8Very high98.6Very high69 Ų6934 Ų3430%0.30320%0.197SC..Hα-helixtrans-57.5-51.8178.5-168.3-80.7000112.4L206 G209 M210 A217 N239 L240 C241L206-F237 HydrophobicContact CD1-CB 4.21Å; L206-F237 HydrophobicContact CD1-CD2 3.93Å; G209-F237 VanDerWaalsContact O-CB 3.25Å; G209-F237 WeakPolarHBondContact O-CB 3.34Å; M210-F237 HydrophobicContact CE-CD1 4.06Å; M210-F237 HydrophobicContact CE-CE1 3.74Å; A217-F237 HydrophobicContact CB-CD2 4.45Å; F237-N239 VanDerWaalsContact C-N 3.28Å; F237-N239 PolarHBondContact O-N 3.16Å; F237-L240 WeakPolarHBondContact O-CB 3.25Å; F237-L240 PolarHBondContact O-N 3.03Å; F237-L240 VanDerWaalsContact O-N 3.1Å; F237-C241 PolarHBondContact O-N 3.26Å; F237-C241 VanDerWaalsContact O-N 3.13Å; F237-C241 PolarHBondContact O-SG 2.9Å
238I98.8Very high98.6Very high55 Ų5534.9 Ų34.928%0.28220%0.199SC..Hα-helixtrans-63-37178.8-64.1175000111.1M210 L240 C241 D242M210-I238 HydrophobicContact SD-CD1 3.86Å; M210-I238 HydrophobicContact SD-CG1 3.59Å; M210-I238 VanDerWaalsContact SD-CG1 3.59Å; I238-L240 PolarHBondContact O-N 3.03Å; I238-C241 WeakPolarHBondContact O-CB 3.5Å; I238-C241 PolarHBondContact O-N 2.95Å; I238-C241 VanDerWaalsContact O-N 3.09Å; I238-D242 PolarHBondContact O-N 3.27Å
239N98.7Very high98.7Very high25 Ų2534 Ų3413%0.13420%0.195CC..Hα-helixtrans-58.8-37.6176-62140.4000111.8P235 G236 F237 A243 F318P235-N239 HydrophobicContact CB-CB 4.4Å; G236-N239 PolarHBondContact N-OD1 2.73Å; G236-N239 WeakPolarHBondContact O-CB 3.37Å; G236-N239 PolarHBondContact O-N 2.86Å; F237-N239 VanDerWaalsContact C-N 3.28Å; F237-N239 PolarHBondContact O-N 3.16Å; N239-A243 WeakPolarHBondContact O-CB 3.1Å; N239-A243 PolarHBondContact O-N 3.21Å; N239-F318 HydrophobicContact CB-CD2 3.87Å; N239-F318 HydrophobicContact CB-CE2 3.69Å
240L98.9Very high98.7Very high8 Ų828 Ų284%0.04217%0.169CC..Hα-helixtrans-71.8-37.1176.4-66166.8000111.9L206 I219 L228 P235 G236 F237 I238 D242 A243 L244 L365L206-L240 HydrophobicContact CD1-CD1 3.87Å; L206-L240 HydrophobicContact CD2-CD1 3.74Å; L206-L240 HydrophobicContact CG-CD1 4.44Å; I219-L240 HydrophobicContact CB-CD1 3.89Å; I219-L240 HydrophobicContact CD1-CD1 3.98Å; I219-L240 HydrophobicContact CD1-CD2 4.26Å; I219-L240 HydrophobicContact CG2-CD1 3.65Å; L228-L240 HydrophobicContact CD2-CD2 3.51Å; P235-L240 HydrophobicContact CB-CD2 4.03Å; P235-L240 HydrophobicContact CB-CG 4.08Å; P235-L240 HydrophobicContact CG-CD2 4.27Å; G236-L240 PolarHBondContact O-N 2.91Å; G236-L240 VanDerWaalsContact O-N 3.17Å; F237-L240 WeakPolarHBondContact O-CB 3.25Å; F237-L240 PolarHBondContact O-N 3.03Å; F237-L240 VanDerWaalsContact O-N 3.1Å; I238-L240 PolarHBondContact O-N 3.03Å; L240-D242 VanDerWaalsContact C-N 3.34Å; L240-D242 PolarHBondContact O-N 2.93Å; L240-A243 PolarHBondContact O-N 2.87Å; L240-L244 WeakPolarHBondContact O-CB 3.38Å; L240-L244 VanDerWaalsContact O-CG 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.3Å; L240-L244 PolarHBondContact O-N 3.12Å; L240-L365 HydrophobicContact CD2-CD1 4.42Å
241C98.9Very high98.7Very high34 Ų3427.4 Ų27.423%0.2316%0.16CC..Hα-helixtrans-59.7-44.8172.6-61.70000111.7F237 I238 N245 V268F237-C241 PolarHBondContact O-N 3.26Å; F237-C241 VanDerWaalsContact O-N 3.13Å; F237-C241 PolarHBondContact O-SG 2.9Å; I238-C241 WeakPolarHBondContact O-CB 3.5Å; I238-C241 PolarHBondContact O-N 2.95Å; I238-C241 VanDerWaalsContact O-N 3.09Å; C241-N245 PolarHBondContact O-ND2 2.79Å; C241-V268 HydrophobicContact CB-CG1 4.38Å; C241-V268 HydrophobicContact CB-CG2 3.68Å
242D98.9Very high98.7Very high9 Ų926.3 Ų26.35%0.04815%0.147CC..Hα-helixtrans-65.4-53.3174.7-71-46.9000110.8I238 L240 L244 N245 A246 F265 H267 V268 F318I238-D242 PolarHBondContact O-N 3.27Å; L240-D242 VanDerWaalsContact C-N 3.34Å; L240-D242 PolarHBondContact O-N 2.93Å; D242-L244 PolarHBondContact O-N 3.28Å; D242-N245 PolarHBondContact O-N 3Å; D242-A246 WeakPolarHBondContact O-CB 3.47Å; D242-A246 PolarHBondContact O-N 3.2Å; D242-F265 HydrophobicContact CB-CB 4.07Å; D242-H267 PolarHBondContact OD1-N 3.35Å; D242-V268 VanDerWaalsContact OD1-CA 3.32Å; D242-V268 WeakPolarHBondContact OD1-CA 3.42Å; D242-V268 PolarHBondContact OD1-N 3.02Å; D242-F318 HydrophobicContact CB-CB 3.57Å; D242-F318 HydrophobicContact CB-CG 4.06Å
243A98.9Very high98.7Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-57.8-45.2-174.600000113.2N239 L240 W247 F318 I342 L365N239-A243 WeakPolarHBondContact O-CB 3.1Å; N239-A243 PolarHBondContact O-N 3.21Å; L240-A243 PolarHBondContact O-N 2.87Å; A243-W247 WeakPolarHBondContact O-CB 3.43Å; A243-W247 PolarHBondContact O-N 3.05Å; A243-F318 HydrophobicContact CB-CD1 3.77Å; A243-F318 HydrophobicContact CB-CE1 3.34Å; A243-F318 HydrophobicContact CB-CZ 3.81Å; A243-I342 HydrophobicContact CB-CB 4.44Å; A243-I342 HydrophobicContact CB-CD1 4.31Å; A243-I342 HydrophobicContact CB-CG2 4.23Å; A243-L365 HydrophobicContact CB-CD1 4Å
244L98.9Very high98.8Very high62 Ų6226.1 Ų26.133%0.32514%0.136SC..Hα-helixtrans-73.1-32.3-175.6-65.2175000112.6I219 L240 D242 Q248 M367I219-L244 HydrophobicContact CD1-CD1 4.33Å; L240-L244 WeakPolarHBondContact O-CB 3.38Å; L240-L244 VanDerWaalsContact O-CG 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.3Å; L240-L244 PolarHBondContact O-N 3.12Å; D242-L244 PolarHBondContact O-N 3.28Å; L244-Q248 WeakPolarHBondContact O-CG 3.21Å; L244-Q248 PolarHBondContact O-NE2 2.75Å; L244-M367 HydrophobicContact CD2-CE 3.69Å
245N98.9Very high98.8Very high25 Ų2527.4 Ų27.413%0.13415%0.15CC..Hα-helixtrans-75.6-44.5172.4-76.1-70000111.2C241 D242 W247 Q248 L249 F265 V268 Y426 H590C241-N245 PolarHBondContact O-ND2 2.79Å; D242-N245 PolarHBondContact O-N 3Å; N245-W247 VanDerWaalsContact C-N 3.32Å; N245-W247 PolarHBondContact O-N 2.82Å; N245-Q248 PolarHBondContact O-N 2.81Å; N245-L249 PolarHBondContact O-N 3.35Å; N245-F265 HydrophobicContact CB-CD1 4.43Å; N245-F265 HydrophobicContact CB-CE1 3.67Å; N245-F265 HydrophobicContact CB-CZ 4.25Å; N245-V268 WeakPolarHBondContact ND2-CG1 3.3Å; N245-Y426 HydrophobicContact CB-CD1 4.41Å; N245-H590 PolarHBondContact OD1-CE1 3.4Å; N245-H590 VanDerWaalsContact OD1-CE1 3.27Å
246A98.9Very high98.8Very high0 Ų028.6 Ų28.60%016%0.161CC..Hα-helixtrans-59.5-42177.800000112.4D242 L249 V250 T263 F265 A320D242-A246 WeakPolarHBondContact O-CB 3.47Å; D242-A246 PolarHBondContact O-N 3.2Å; A246-L249 WeakPolarHBondContact O-CB 3.43Å; A246-L249 PolarHBondContact O-N 3.4Å; A246-V250 PolarHBondContact O-N 2.98Å; A246-V250 VanDerWaalsContact O-N 3.12Å; A246-T263 HydrophobicContact CB-CG2 3.72Å; A246-F265 VanDerWaalsContact CA-CE2 3.45Å; A246-F265 HydrophobicContact CB-CB 4.25Å; A246-F265 HydrophobicContact CB-CD1 4.19Å; A246-F265 HydrophobicContact CB-CD2 3.42Å; A246-F265 VanDerWaalsContact CB-CD2 3.42Å; A246-F265 HydrophobicContact CB-CE1 4.41Å; A246-F265 HydrophobicContact CB-CE2 3.66Å; A246-F265 HydrophobicContact CB-CG 3.69Å; A246-F265 HydrophobicContact CB-CZ 4.16Å; A246-A320 VanDerWaalsContact C-CB 3.42Å; A246-A320 HydrophobicContact CB-CB 3.51Å; A246-A320 WeakPolarHBondContact O-CB 3.12Å
247W98.9Very high98.8Very high11 Ų1130.2 Ų30.24%0.04217%0.167CC..Hα-helixtrans-58.4-49.8175.8173-111.3000112.3A243 N245 L249 V250 R251 L321 I342 P344 M367 P369A243-W247 WeakPolarHBondContact O-CB 3.43Å; A243-W247 PolarHBondContact O-N 3.05Å; N245-W247 VanDerWaalsContact C-N 3.32Å; N245-W247 PolarHBondContact O-N 2.82Å; W247-L249 VanDerWaalsContact C-N 3.3Å; W247-L249 PolarHBondContact O-N 3.13Å; W247-V250 HydrophobicContact CE3-CG2 4.25Å; W247-V250 WeakPolarHBondContact O-CG2 3.33Å; W247-V250 PolarHBondContact O-N 3.13Å; W247-R251 VanDerWaalsContact O-CB 3.29Å; W247-R251 WeakPolarHBondContact O-CB 3.41Å; W247-R251 PolarHBondContact O-N 3.02Å; W247-L321 WeakPolarHBondContact CZ3-O 3.35Å; W247-I342 HydrophobicContact CB-CD1 4.06Å; W247-I342 HydrophobicContact CB-CG2 4.39Å; W247-I342 HydrophobicContact CE3-CG1 4.48Å; W247-I342 HydrophobicContact CG-CD1 4.37Å; W247-P344 HydrophobicContact CH2-CB 4.12Å; W247-P344 HydrophobicContact CH2-CG 4.49Å; W247-M367 HydrophobicContact CD2-CB 4.04Å; W247-M367 HydrophobicContact CD2-CG 3.71Å; W247-M367 HydrophobicContact CE3-CB 4.19Å; W247-M367 HydrophobicContact CE3-CG 4.35Å; W247-M367 HydrophobicContact CG-CE 4.36Å; W247-M367 HydrophobicContact CG-CG 4.03Å; W247-M367 HydrophobicContact CH2-CB 4.41Å; W247-M367 HydrophobicContact CH2-CG 4.43Å; W247-M367 HydrophobicContact CZ2-CB 4.27Å; W247-M367 HydrophobicContact CZ2-CG 3.81Å; W247-M367 HydrophobicContact CZ3-CB 4.36Å; W247-P369 HydrophobicContact CH2-CB 4.49Å; W247-P369 HydrophobicContact CZ2-CB 4.39Å
248Q98.9Very high98.8Very high40 Ų4029.8 Ų29.819%0.18718%0.182CC..Hα-helixtrans-62.7-40.1179.6-70.6174.386.200111.4L244 N245 R251 E252 Y426L244-Q248 WeakPolarHBondContact O-CG 3.21Å; L244-Q248 PolarHBondContact O-NE2 2.75Å; N245-Q248 PolarHBondContact O-N 2.81Å; Q248-R251 PolarHBondContact O-N 3.33Å; Q248-E252 WeakPolarHBondContact O-CB 3.28Å; Q248-E252 WeakPolarHBondContact O-CG 3.05Å; Q248-E252 PolarHBondContact O-N 2.98Å; Q248-Y426 HydrophobicContact CB-CD1 4.33Å; Q248-Y426 HydrophobicContact CB-CE1 3.5Å; Q248-Y426 VanDerWaalsContact CB-CE1 3.5Å; Q248-Y426 HydrophobicContact CB-CE2 4.21Å; Q248-Y426 VanDerWaalsContact CB-CZ 3.45Å; Q248-Y426 WeakPolarHBondContact CB-OH 3.44Å; Q248-Y426 HydrophobicContact CG-CE1 4.32Å
249L98.9Very high98.8Very high0 Ų030 Ų300%018%0.182CC..Hα-helixtrans-55.9-55.2176.1-168.6167.5000111N245 A246 W247 R251 E252 L253 F265 P270 A273 I422 Y426N245-L249 PolarHBondContact O-N 3.35Å; A246-L249 WeakPolarHBondContact O-CB 3.43Å; A246-L249 PolarHBondContact O-N 3.4Å; W247-L249 VanDerWaalsContact C-N 3.3Å; W247-L249 PolarHBondContact O-N 3.13Å; L249-R251 PolarHBondContact O-N 2.83Å; L249-E252 PolarHBondContact O-N 3.35Å; L249-L253 HydrophobicContact CD2-CD1 3.4Å; L249-L253 HydrophobicContact CD2-CG 3.91Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 2.96Å; L249-F265 HydrophobicContact CB-CE2 4.45Å; L249-F265 HydrophobicContact CB-CZ 4.48Å; L249-F265 HydrophobicContact CD1-CE2 3.67Å; L249-F265 HydrophobicContact CD1-CZ 3.85Å; L249-P270 HydrophobicContact CD1-CB 4.03Å; L249-P270 HydrophobicContact CD1-CG 3.99Å; L249-A273 HydrophobicContact CD1-CB 4.13Å; L249-A273 HydrophobicContact CD2-CB 3.72Å; L249-I422 HydrophobicContact CD2-CG2 4.24Å; L249-I422 HydrophobicContact CG-CG2 3.99Å; L249-Y426 HydrophobicContact CB-CD2 3.8Å; L249-Y426 HydrophobicContact CB-CE2 4.45Å; L249-Y426 HydrophobicContact CB-CG 4.17Å; L249-Y426 HydrophobicContact CG-CD2 4.15Å
250V98.9Very high98.8Very high0 Ų029.4 Ų29.40%018%0.181CC..Hα-helixtrans-70.1-33.1-176.1-61.10000112.6A246 W247 L253 K254 A261 T263 A320A246-V250 PolarHBondContact O-N 2.98Å; A246-V250 VanDerWaalsContact O-N 3.12Å; W247-V250 HydrophobicContact CE3-CG2 4.25Å; W247-V250 WeakPolarHBondContact O-CG2 3.33Å; W247-V250 PolarHBondContact O-N 3.13Å; V250-L253 PolarHBondContact O-N 2.66Å; V250-K254 WeakPolarHBondContact O-CB 3.16Å; V250-K254 PolarHBondContact O-N 3.31Å; V250-A261 HydrophobicContact CB-CB 4.23Å; V250-T263 HydrophobicContact CG1-CG2 3.55Å; V250-A320 HydrophobicContact CG1-CB 4.17Å; V250-A320 HydrophobicContact CG2-CB 3.88Å
251R98.8Very high98.8Very high46 Ų4629 Ų2917%0.17418%0.179CC..Hα-helixtrans-61.7-45173.9-171.5178.179.5163.112.7111W247 Q248 L249 K254 A255 Y371 E372W247-R251 VanDerWaalsContact O-CB 3.29Å; W247-R251 WeakPolarHBondContact O-CB 3.41Å; W247-R251 PolarHBondContact O-N 3.02Å; Q248-R251 PolarHBondContact O-N 3.33Å; L249-R251 PolarHBondContact O-N 2.83Å; R251-K254 PolarHBondContact O-N 2.95Å; R251-A255 WeakPolarHBondContact O-CB 3.48Å; R251-A255 PolarHBondContact O-N 2.97Å; R251-Y371 PolarHBondContact NH1-O 2.71Å; R251-E372 IonicContact CZ-OE1 2.86Å; R251-E372 IonicContact CZ-OE2 3.53Å; R251-E372 IonicContact NH1-OE1 3.63Å; R251-E372 PolarHBondContact NH1-OE1 3.1Å; R251-E372 IonicContact NH1-OE2 3.22Å; R251-E372 IonicContact NH2-OE1 3.74Å; R251-E372 PolarHBondContact NH2-OE1 3.17Å; R251-E372 VanDerWaalsContact NH2-OE1 3.08Å; R251-E372 IonicContact NH2-OE2 2.84Å; R251-E372 PolarHBondContact NH2-OE2 3.37Å
252E98.8Very high98.8Very high23 Ų2327.4 Ų27.411%0.10717%0.168CC..Hα-helixtrans-70.1-38.4178.2-72.1-172.3-172.900112.6Q248 L249 K254 A255 A256 I422 K425 Y426Q248-E252 WeakPolarHBondContact O-CB 3.28Å; Q248-E252 WeakPolarHBondContact O-CG 3.05Å; Q248-E252 PolarHBondContact O-N 2.98Å; L249-E252 PolarHBondContact O-N 3.35Å; E252-K254 PolarHBondContact O-N 3.46Å; E252-A255 PolarHBondContact O-N 3.44Å; E252-A256 WeakPolarHBondContact O-CB 3.33Å; E252-A256 PolarHBondContact O-N 3.38Å; E252-I422 HydrophobicContact CB-CD1 4.1Å; E252-I422 HydrophobicContact CB-CG2 4.1Å; E252-K425 IonicContact OE1-NZ 2.73Å; E252-K425 PolarHBondContact OE1-NZ 2.94Å; E252-K425 IonicContact OE2-NZ 3.91Å; E252-K425 PolarHBondContact OE2-NZ 3.46Å; E252-Y426 PolarHBondContact OE1-OH 3.49Å
253L98.9Very high98.8Very high0 Ų027 Ų270%017%0.165CC..Hα-helixtrans-59.2-47.2172.6-75.3178.9000111.6L249 V250 A256 L257 A261 A273 V275 V419 I422L249-L253 HydrophobicContact CD2-CD1 3.4Å; L249-L253 HydrophobicContact CD2-CG 3.91Å; L249-L253 WeakPolarHBondContact O-CG 3.4Å; L249-L253 PolarHBondContact O-N 2.96Å; V250-L253 PolarHBondContact O-N 2.66Å; L253-A256 PolarHBondContact O-N 3.41Å; L253-L257 HydrophobicContact CD2-CD1 4.45Å; L253-L257 WeakPolarHBondContact O-CB 3.35Å; L253-L257 PolarHBondContact O-N 2.97Å; L253-A261 HydrophobicContact CB-CB 3.63Å; L253-A261 HydrophobicContact CD1-CB 4.04Å; L253-A273 HydrophobicContact CD1-CB 4.44Å; L253-V275 HydrophobicContact CB-CG1 4.3Å; L253-V419 HydrophobicContact CD2-CB 4.37Å; L253-V419 HydrophobicContact CD2-CG2 3.99Å; L253-I422 HydrophobicContact CD2-CB 3.99Å; L253-I422 HydrophobicContact CD2-CD1 3.9Å; L253-I422 HydrophobicContact CD2-CG2 4.08Å; L253-I422 HydrophobicContact CG-CB 4.47Å; L253-I422 HydrophobicContact CG-CD1 4.46Å; L253-I422 HydrophobicContact CG-CG2 4Å
254K98.7Very high98.8Very high64 Ų6427 Ų2728%0.27817%0.165SC..Hα-helixtrans-60.9-45.7177.517865.8174.1-148.10111.4V250 R251 E252 G258 M259 D323V250-K254 WeakPolarHBondContact O-CB 3.16Å; V250-K254 PolarHBondContact O-N 3.31Å; R251-K254 PolarHBondContact O-N 2.95Å; E252-K254 PolarHBondContact O-N 3.46Å; K254-G258 VanDerWaalsContact O-CA 3.23Å; K254-G258 WeakPolarHBondContact O-CA 3.23Å; K254-G258 PolarHBondContact O-N 3.18Å; K254-M259 WeakPolarHBondContact CD-O 3.06Å; K254-D323 VanDerWaalsContact NZ-CG 3.3Å; K254-D323 IonicContact NZ-OD1 3.66Å; K254-D323 PolarHBondContact NZ-OD1 3.36Å; K254-D323 IonicContact NZ-OD2 3.54Å; K254-D323 PolarHBondContact NZ-OD2 3.43Å
255A98.4Very high98.8Very high87 Ų8724 Ų2472%0.71915%0.15SC*.Hα-helixtrans-65-39.617900000112.5R251 E252R251-A255 WeakPolarHBondContact O-CB 3.48Å; R251-A255 PolarHBondContact O-N 2.97Å; E252-A255 PolarHBondContact O-N 3.44Å
256A98.4Very high98.8Very high33 Ų3325.6 Ų25.627%0.27316%0.156SC..Hα-helixtrans-75.9-35.6-176.800000113.3E252 L253 I395 T418 I422E252-A256 WeakPolarHBondContact O-CB 3.33Å; E252-A256 PolarHBondContact O-N 3.38Å; L253-A256 PolarHBondContact O-N 3.41Å; A256-I395 VanDerWaalsContact CB-O 3.26Å; A256-I395 WeakPolarHBondContact CB-O 3.42Å; A256-T418 HydrophobicContact CB-CG2 3.74Å; A256-I422 HydrophobicContact CB-CD1 4.01Å
257L98.4Very high98.7Very high44 Ų4432 Ų3223%0.2319%0.186CC..Hα-helixtrans-114-13.1-170.4-62172.4000113.9L253 M259 V275 R415 T418 V419L253-L257 HydrophobicContact CD2-CD1 4.45Å; L253-L257 WeakPolarHBondContact O-CB 3.35Å; L253-L257 PolarHBondContact O-N 2.97Å; L257-M259 HydrophobicContact CB-CB 4.43Å; L257-M259 HydrophobicContact CB-CG 4.28Å; L257-M259 PolarHBondContact O-N 3.27Å; L257-V275 HydrophobicContact CD1-CG1 3.72Å; L257-V275 HydrophobicContact CD1-CG2 4.26Å; L257-R415 HydrophobicContact CD1-CG 4Å; L257-R415 HydrophobicContact CD2-CB 4.38Å; L257-R415 HydrophobicContact CD2-CG 4.25Å; L257-T418 HydrophobicContact CD1-CG2 4.07Å; L257-T418 HydrophobicContact CD2-CG2 3.93Å; L257-T418 HydrophobicContact CG-CG2 3.9Å; L257-V419 HydrophobicContact CD1-CG2 4.01Å
258G98.4Very high98.7Very high59 Ų5932.9 Ų32.961%0.60819%0.192SC*.SBendtrans68.19.1-174.700000114.2K254K254-G258 VanDerWaalsContact O-CA 3.23Å; K254-G258 WeakPolarHBondContact O-CA 3.23Å; K254-G258 PolarHBondContact O-N 3.18Å
259M98.7Very high98.7Very high59 Ų5931.6 Ų31.629%0.29119%0.187SC..SBendtrans-105146.1-175.1-61.6-179.574.800111.2K254 L257 A261 V275 V277K254-M259 WeakPolarHBondContact CD-O 3.06Å; L257-M259 HydrophobicContact CB-CB 4.43Å; L257-M259 HydrophobicContact CB-CG 4.28Å; L257-M259 PolarHBondContact O-N 3.27Å; M259-A261 PolarHBondContact O-N 3.45Å; M259-V275 HydrophobicContact CB-CB 3.84Å; M259-V275 HydrophobicContact CB-CG1 4.03Å; M259-V275 HydrophobicContact CE-CB 4.32Å; M259-V275 HydrophobicContact CE-CG2 4.14Å; M259-V275 HydrophobicContact SD-CB 4.15Å; M259-V275 HydrophobicContact SD-CG2 3.86Å; M259-V277 HydrophobicContact CE-CG2 3.86Å
260A98.9Very high98.7Very high13 Ų1331.8 Ų31.811%0.10719%0.188CC..  trans-57133.3169.500000109.9V275 G276 P298 L299 D323A260-V275 CarbonylContact O-C 3.58Å; A260-V275 VanDerWaalsContact O-CA 3.28Å; A260-V275 WeakPolarHBondContact O-CA 3.08Å; A260-G276 PolarHBondContact O-N 3.36Å; A260-P298 HydrophobicContact CB-CB 4.12Å; A260-L299 HydrophobicContact CB-CB 4.19Å; A260-L299 HydrophobicContact CB-CD1 4.21Å; A260-D323 WeakPolarHBondContact CA-OD2 3.39Å
261A98.9Very high98.7Very high0 Ų032.1 Ų32.10%019%0.191CC..EExtended strand (participates in β ladder)trans-130.4149.1-171.700000111.2V250 L253 M259 A274 V275 S322V250-A261 HydrophobicContact CB-CB 4.23Å; L253-A261 HydrophobicContact CB-CB 3.63Å; L253-A261 HydrophobicContact CD1-CB 4.04Å; M259-A261 PolarHBondContact O-N 3.45Å; A261-A274 VanDerWaalsContact CA-O 3.29Å; A261-A274 WeakPolarHBondContact CA-O 3.42Å; A261-V275 HydrophobicContact CB-CG1 4.12Å; A261-S322 PolarHBondContact N-OG 2.68Å; A261-S322 PolarHBondContact O-N 3.18Å; A261-S322 PolarHBondContact O-OG 3.31Å
262A99Very high98.7Very high0 Ų030 Ų300%018%0.183CC..EExtended strand (participates in β ladder)trans-144.7156176.200000110.8A273 A274 A302 A320 L321A262-A273 WeakPolarHBondContact O-CA 3.42Å; A262-A274 PolarHBondContact N-O 3.19Å; A262-A274 PolarHBondContact O-N 2.91Å; A262-A302 HydrophobicContact CB-CB 3.86Å; A262-A320 VanDerWaalsContact CA-O 3.29Å; A262-A320 WeakPolarHBondContact CA-O 3.41Å; A262-L321 HydrophobicContact CB-CD2 3.7Å
263T98.9Very high98.7Very high0 Ų028.9 Ų28.90%018%0.178CC..EExtended strand (participates in β ladder)trans-144.1149.8172.7-1720000111A246 V250 F265 G272 I319 A320A246-T263 HydrophobicContact CB-CG2 3.72Å; V250-T263 HydrophobicContact CG1-CG2 3.55Å; T263-F265 HydrophobicContact CG2-CD2 3.6Å; T263-F265 HydrophobicContact CG2-CE2 3.55Å; T263-F265 WeakPolarHBondContact OG1-CD2 3.43Å; T263-F265 VanDerWaalsContact OG1-CE2 3.26Å; T263-F265 WeakPolarHBondContact OG1-CE2 3.36Å; T263-G272 WeakPolarHBondContact CA-O 3.42Å; T263-G272 PolarHBondContact OG1-O 3.2Å; T263-I319 WeakPolarHBondContact O-CA 3.42Å; T263-A320 HydrophobicContact CG2-CB 3.87Å; T263-A320 PolarHBondContact N-O 2.99Å; T263-A320 PolarHBondContact O-N 3.35Å
264S98.9Very high98.7Very high0 Ų028.9 Ų28.90%018%0.178CC..EExtended strand (participates in β ladder)trans-110.5115.4171.8179.30000107.6P270 A271 G272 S314 D317S264-P270 CarbonylContact O-C 3.59Å; S264-P270 WeakPolarHBondContact O-CA 3.29Å; S264-A271 PolarHBondContact O-N 3.41Å; S264-G272 PolarHBondContact N-O 3.32Å; S264-G272 PolarHBondContact O-N 2.69Å; S264-S314 WeakPolarHBondContact OG-CB 3.32Å; S264-S314 PolarHBondContact OG-OG 2.97Å; S264-D317 WeakPolarHBondContact CB-OD2 3.44Å; S264-D317 WeakPolarHBondContact OG-CB 3.5Å; S264-D317 VanDerWaalsContact OG-CG 3.24Å; S264-D317 PolarHBondContact OG-OD2 2.91Å
265F98.8Very high98.7Very high0 Ų025.8 Ų25.80%017%0.165CC..EExtended strand (participates in β ladder)trans-104.8145.6-179.9-95.1-119.9000112.4D242 N245 A246 L249 T263 S269 P270 D317 F318D242-F265 HydrophobicContact CB-CB 4.07Å; N245-F265 HydrophobicContact CB-CD1 4.43Å; N245-F265 HydrophobicContact CB-CE1 3.67Å; N245-F265 HydrophobicContact CB-CZ 4.25Å; A246-F265 VanDerWaalsContact CA-CE2 3.45Å; A246-F265 HydrophobicContact CB-CB 4.25Å; A246-F265 HydrophobicContact CB-CD1 4.19Å; A246-F265 HydrophobicContact CB-CD2 3.42Å; A246-F265 VanDerWaalsContact CB-CD2 3.42Å; A246-F265 HydrophobicContact CB-CE1 4.41Å; A246-F265 HydrophobicContact CB-CE2 3.66Å; A246-F265 HydrophobicContact CB-CG 3.69Å; A246-F265 HydrophobicContact CB-CZ 4.16Å; L249-F265 HydrophobicContact CB-CE2 4.45Å; L249-F265 HydrophobicContact CB-CZ 4.48Å; L249-F265 HydrophobicContact CD1-CE2 3.67Å; L249-F265 HydrophobicContact CD1-CZ 3.85Å; T263-F265 HydrophobicContact CG2-CD2 3.6Å; T263-F265 HydrophobicContact CG2-CE2 3.55Å; T263-F265 WeakPolarHBondContact OG1-CD2 3.43Å; T263-F265 VanDerWaalsContact OG1-CE2 3.26Å; T263-F265 WeakPolarHBondContact OG1-CE2 3.36Å; F265-S269 WeakPolarHBondContact CA-O 3.22Å; F265-P270 HydrophobicContact CD2-CB 4.04Å; F265-P270 HydrophobicContact CE2-CB 3.66Å; F265-P270 HydrophobicContact CE2-CG 4.28Å; F265-P270 HydrophobicContact CZ-CB 4.1Å; F265-P270 HydrophobicContact CZ-CG 4.23Å; F265-D317 CarbonylContact O-C 3.57Å; F265-D317 WeakPolarHBondContact O-CA 3.36Å; F265-D317 WeakPolarHBondContact O-CB 3.48Å; F265-F318 WeakPolarHBondContact CB-O 3.17Å; F265-F318 PolarHBondContact N-O 2.98Å; F265-F318 PolarHBondContact O-N 3.39Å
266K98.6Very high98.7Very high58 Ų5822 Ų2225%0.25214%0.135SC..SBendtrans-147.4127.8171.2-169.674.2179.5-159.90109.5V268 S269 S313 F315 G316K266-V268 VanDerWaalsContact C-N 3.3Å; K266-V268 PolarHBondContact O-N 2.74Å; K266-S269 PolarHBondContact N-O 2.95Å; K266-S269 PolarHBondContact O-N 3.34Å; K266-S269 VanDerWaalsContact O-O 3.11Å; K266-S313 WeakPolarHBondContact CB-O 3.47Å; K266-S313 WeakPolarHBondContact CG-O 3.36Å; K266-F315 PolarHBondContact NZ-O 3.45Å; K266-G316 WeakPolarHBondContact CD-O 3.29Å; K266-G316 PolarHBondContact NZ-O 3.09Å
267H98.3Very high98.7Very high136 Ų13621.7 Ų21.763%0.6313%0.129SC*.SBendtrans52.947.1178.4-66.8-62.4000113.1D242 S269D242-H267 PolarHBondContact OD1-N 3.35Å; H267-S269 VanDerWaalsContact C-N 3.27Å; H267-S269 PolarHBondContact O-N 3.06Å
268V98.6Very high98.8Very high29 Ų2924.5 Ų24.518%0.17615%0.15CC..SBendtrans62.233.5174.4-155.90000112.5C241 D242 N245 K266 Q428C241-V268 HydrophobicContact CB-CG1 4.38Å; C241-V268 HydrophobicContact CB-CG2 3.68Å; D242-V268 VanDerWaalsContact OD1-CA 3.32Å; D242-V268 WeakPolarHBondContact OD1-CA 3.42Å; D242-V268 PolarHBondContact OD1-N 3.02Å; N245-V268 WeakPolarHBondContact ND2-CG1 3.3Å; K266-V268 VanDerWaalsContact C-N 3.3Å; K266-V268 PolarHBondContact O-N 2.74Å; V268-Q428 WeakPolarHBondContact O-CG 3.41Å
269S98.9Very high98.8Very high12 Ų1222.6 Ų22.68%0.08413%0.126CC..SBendtrans-149148.5171-70.70000110.2F265 K266 H267 A271 Q428F265-S269 WeakPolarHBondContact CA-O 3.22Å; K266-S269 PolarHBondContact N-O 2.95Å; K266-S269 PolarHBondContact O-N 3.34Å; K266-S269 VanDerWaalsContact O-O 3.11Å; H267-S269 VanDerWaalsContact C-N 3.27Å; H267-S269 PolarHBondContact O-N 3.06Å; S269-A271 PolarHBondContact O-N 3.27Å; S269-Q428 WeakPolarHBondContact OG-CG 3.22Å; S269-Q428 PolarHBondContact OG-N 2.97Å
270P98.8Very high98.7Very high4 Ų422.2 Ų22.23%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-68.4121.4175.525.6-29.9000110L249 S264 F265 Y426 T427 I443L249-P270 HydrophobicContact CD1-CB 4.03Å; L249-P270 HydrophobicContact CD1-CG 3.99Å; S264-P270 CarbonylContact O-C 3.59Å; S264-P270 WeakPolarHBondContact O-CA 3.29Å; F265-P270 HydrophobicContact CD2-CB 4.04Å; F265-P270 HydrophobicContact CE2-CB 3.66Å; F265-P270 HydrophobicContact CE2-CG 4.28Å; F265-P270 HydrophobicContact CZ-CB 4.1Å; F265-P270 HydrophobicContact CZ-CG 4.23Å; P270-Y426 WeakPolarHBondContact CD-O 3.34Å; P270-T427 VanDerWaalsContact CD-OG1 3.25Å; P270-T427 WeakPolarHBondContact CD-OG1 3.48Å; P270-T427 WeakPolarHBondContact CG-OG1 3.45Å; P270-I443 HydrophobicContact CG-CD1 3.9Å; P270-I443 WeakPolarHBondContact O-CG2 3.38Å
271A98.7Very high98.7Very high8 Ų827.2 Ų27.27%0.06615%0.15CC..EExtended strand (participates in β ladder)trans-66.8-30.9160.700000110.6S264 S269S264-A271 PolarHBondContact O-N 3.41Å; S269-A271 PolarHBondContact O-N 3.27Å
272G98.9Very high98.7Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-168.4160.4167.600000112.1T263 S264 A306T263-G272 WeakPolarHBondContact CA-O 3.42Å; T263-G272 PolarHBondContact OG1-O 3.2Å; S264-G272 PolarHBondContact N-O 3.32Å; S264-G272 PolarHBondContact O-N 2.69Å; G272-A306 VanDerWaalsContact CA-O 3.3Å; G272-A306 WeakPolarHBondContact CA-O 3.4Å
273A98.9Very high98.6Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-146.9148.6176.600000109.5L249 L253 A262 Q439 V440L249-A273 HydrophobicContact CD1-CB 4.13Å; L249-A273 HydrophobicContact CD2-CB 3.72Å; L253-A273 HydrophobicContact CD1-CB 4.44Å; A262-A273 WeakPolarHBondContact O-CA 3.42Å; A273-Q439 CarbonylContact O-C 3.5Å; A273-Q439 WeakPolarHBondContact O-CA 3.47Å; A273-V440 HydrophobicContact CB-CG2 4.01Å; A273-V440 WeakPolarHBondContact O-CG2 3.39Å; A273-V440 PolarHBondContact O-N 2.68Å
274A98.9Very high98.6Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-158.9162.5-17900000113A261 A262 A302 R305 A306 G438 Q439A261-A274 VanDerWaalsContact CA-O 3.29Å; A261-A274 WeakPolarHBondContact CA-O 3.42Å; A262-A274 PolarHBondContact N-O 3.19Å; A262-A274 PolarHBondContact O-N 2.91Å; A274-A302 WeakPolarHBondContact CB-O 3.29Å; A274-R305 HydrophobicContact CB-CB 3.5Å; A274-R305 VanDerWaalsContact CB-CB 3.5Å; A274-A306 HydrophobicContact CB-CB 4.34Å; A274-G438 CarbonylContact C-O 3.5Å; A274-G438 WeakPolarHBondContact CA-O 3.4Å; A274-G438 WeakPolarHBondContact CB-O 3.43Å; A274-Q439 HydrophobicContact CB-CB 3.5Å
275V98.9Very high98.6Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-104.4161.8161.5-68.50000111.1L253 L257 M259 A260 A261 V277 R415 V419 G438L253-V275 HydrophobicContact CB-CG1 4.3Å; L257-V275 HydrophobicContact CD1-CG1 3.72Å; L257-V275 HydrophobicContact CD1-CG2 4.26Å; M259-V275 HydrophobicContact CB-CB 3.84Å; M259-V275 HydrophobicContact CB-CG1 4.03Å; M259-V275 HydrophobicContact CE-CB 4.32Å; M259-V275 HydrophobicContact CE-CG2 4.14Å; M259-V275 HydrophobicContact SD-CB 4.15Å; M259-V275 HydrophobicContact SD-CG2 3.86Å; A260-V275 CarbonylContact O-C 3.58Å; A260-V275 VanDerWaalsContact O-CA 3.28Å; A260-V275 WeakPolarHBondContact O-CA 3.08Å; A261-V275 HydrophobicContact CB-CG1 4.12Å; V275-V277 HydrophobicContact CG2-CG2 4.21Å; V275-V277 PolarHBondContact O-N 2.95Å; V275-R415 HydrophobicContact CG2-CG 4.24Å; V275-V419 HydrophobicContact CG2-CG2 4.26Å; V275-G438 WeakPolarHBondContact CG2-O 3.42Å; V275-G438 PolarHBondContact N-O 3.36Å
276G98.6Very high98.6Very high8 Ų838.3 Ų38.38%0.08220%0.201CC..  trans-72.954.4-17400000115.9A260 P298A260-G276 PolarHBondContact O-N 3.36Å; G276-P298 WeakPolarHBondContact CA-O 3.25Å
277V98.7Very high98.5Very high25 Ų2535.7 Ų35.715%0.15219%0.19CC..PPolyproline II helixtrans-74.4123.3169.3176.60000108.6M259 V275 T301 R305M259-V277 HydrophobicContact CE-CG2 3.86Å; V275-V277 HydrophobicContact CG2-CG2 4.21Å; V275-V277 PolarHBondContact O-N 2.95Å; V277-T301 WeakPolarHBondContact O-CG2 3.44Å; V277-R305 PolarHBondContact O-NE 3.24Å; V277-R305 PolarHBondContact O-NH2 2.88Å
278P98.5Very high98.5Very high104 Ų10430.3 Ų30.368%0.67517%0.166SC*.PPolyproline II helixtrans-49142.5-177.8-29.535.9000113.5R305P278-R305 PolarHBondContact O-NH2 2.84Å
279L98.6Very high98.5Very high19 Ų1929 Ų2910%0.09916%0.157CC..PPolyproline II helixtrans-86.2139.4178.1-72.6160000110.6E283 A284 V289 L293 L296 T301 A304 R305L279-E283 WeakPolarHBondContact CA-OE2 3.26Å; L279-E283 HydrophobicContact CB-CB 4.31Å; L279-E283 HydrophobicContact CD2-CB 3.44Å; L279-E283 VanDerWaalsContact CD2-CB 3.44Å; L279-E283 HydrophobicContact CD2-CG 4.46Å; L279-E283 HydrophobicContact CG-CB 4.48Å; L279-A284 HydrophobicContact CB-CB 4.33Å; L279-V289 HydrophobicContact CD1-CG2 4.01Å; L279-L293 HydrophobicContact CB-CD1 4.36Å; L279-L296 HydrophobicContact CD1-CD1 3.7Å; L279-T301 HydrophobicContact CD1-CG2 4.15Å; L279-T301 HydrophobicContact CG-CG2 3.93Å; L279-A304 HydrophobicContact CD1-CB 4Å; L279-R305 HydrophobicContact CD2-CG 3.82Å; L279-R305 VanDerWaalsContact CD2-CZ 3.49Å; L279-R305 HydrophobicContact CG-CG 4.42Å
280S98.3Very high98.4Very high51 Ų5133.6 Ų33.636%0.35718%0.178SC..PPolyproline II helixtrans-69.9168.2160.983.20000110.9E282 E283 A284S280-E282 VanDerWaalsContact C-N 3.26Å; S280-E282 PolarHBondContact O-N 2.9Å; S280-E282 PolarHBondContact OG-N 3.31Å; S280-E283 PolarHBondContact N-OE2 3.49Å; S280-E283 PolarHBondContact O-N 3.47Å; S280-E283 WeakPolarHBondContact OG-CG 3.33Å; S280-E283 PolarHBondContact OG-N 3.14Å; S280-E283 VanDerWaalsContact OG-N 3.13Å; S280-A284 WeakPolarHBondContact O-CB 3.47Å; S280-A284 PolarHBondContact O-N 3.47Å
281E97.9Very high98.3Very high118 Ų11837.8 Ų37.855%0.55120%0.2SC*.Hα-helixtrans-59.9-39.3175.3-166.1-168.8142.500112A284 K285 L293E281-A284 PolarHBondContact O-N 2.83Å; E281-K285 WeakPolarHBondContact O-CG 3.33Å; E281-K285 PolarHBondContact O-N 3.47Å; E281-K285 VanDerWaalsContact O-N 3.08Å; E281-K285 WeakPolarHBondContact OE1-CE 3.44Å; E281-K285 IonicContact OE1-NZ 2.68Å; E281-K285 PolarHBondContact OE1-NZ 2.96Å; E281-L293 HydrophobicContact CB-CD2 4.28Å; E281-L293 HydrophobicContact CG-CD2 4.32Å
282E98.1Very high98.2Very high113 Ų11338 Ų3853%0.52820%0.2SC..Hα-helixtrans-67-47.2178.2-62.6178165.600111.1S280 A284 K285 V286 L473S280-E282 VanDerWaalsContact C-N 3.26Å; S280-E282 PolarHBondContact O-N 2.9Å; S280-E282 PolarHBondContact OG-N 3.31Å; E282-A284 VanDerWaalsContact C-N 3.26Å; E282-A284 PolarHBondContact O-N 2.83Å; E282-K285 WeakPolarHBondContact O-CB 3.45Å; E282-K285 PolarHBondContact O-N 2.8Å; E282-V286 WeakPolarHBondContact O-CG2 3.31Å; E282-V286 PolarHBondContact O-N 2.97Å; E282-L473 HydrophobicContact CB-CD1 4.06Å; E282-L473 HydrophobicContact CG-CD1 4.04Å
283E98.5Very high98.1Very high33 Ų3340.8 Ų40.815%0.15421%0.214CC..Hα-helixtrans-63.6-35.4178-64.7176.6123.600111.3L279 S280 K285 V286 C287 R305L279-E283 WeakPolarHBondContact CA-OE2 3.26Å; L279-E283 HydrophobicContact CB-CB 4.31Å; L279-E283 HydrophobicContact CD2-CB 3.44Å; L279-E283 VanDerWaalsContact CD2-CB 3.44Å; L279-E283 HydrophobicContact CD2-CG 4.46Å; L279-E283 HydrophobicContact CG-CB 4.48Å; S280-E283 PolarHBondContact N-OE2 3.49Å; S280-E283 PolarHBondContact O-N 3.47Å; S280-E283 WeakPolarHBondContact OG-CG 3.33Å; S280-E283 PolarHBondContact OG-N 3.14Å; S280-E283 VanDerWaalsContact OG-N 3.13Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 3.45Å; E283-V286 PolarHBondContact O-N 3.27Å; E283-C287 WeakPolarHBondContact O-CB 3.41Å; E283-C287 PolarHBondContact O-N 2.73Å; E283-C287 PolarHBondContact O-SG 3.34Å; E283-R305 IonicContact OE1-CZ 2.67Å; E283-R305 IonicContact OE1-NH1 2.7Å; E283-R305 PolarHBondContact OE1-NH1 3.38Å; E283-R305 IonicContact OE1-NH2 2.91Å; E283-R305 PolarHBondContact OE1-NH2 2.98Å; E283-R305 IonicContact OE2-CZ 3.48Å; E283-R305 IonicContact OE2-NH1 2.77Å; E283-R305 IonicContact OE2-NH2 2.85Å; E283-R305 PolarHBondContact OE2-NH2 2.98Å
284A98.4Very high98.1Very high0 Ų050.6 Ų50.60%026%0.257CS..Hα-helixtrans-66.2-33.8174.700000112.2L279 S280 E281 E282 M288 V289 H290 L293L279-A284 HydrophobicContact CB-CB 4.33Å; S280-A284 WeakPolarHBondContact O-CB 3.47Å; S280-A284 PolarHBondContact O-N 3.47Å; E281-A284 PolarHBondContact O-N 2.83Å; E282-A284 VanDerWaalsContact C-N 3.26Å; E282-A284 PolarHBondContact O-N 2.83Å; A284-M288 PolarHBondContact O-N 2.93Å; A284-M288 VanDerWaalsContact O-N 3.1Å; A284-V289 HydrophobicContact CB-CG2 4.3Å; A284-V289 PolarHBondContact O-N 2.88Å; A284-H290 HydrophobicContact CB-CB 4.28Å; A284-H290 PolarHBondContact O-N 2.78Å; A284-L293 HydrophobicContact CB-CD1 3.85Å; A284-L293 HydrophobicContact CB-CD2 4.42Å
285K98.1Very high98Very high77 Ų7755.2 Ų55.234%0.33528%0.281SS..Hα-helixtrans-65.5-47.1170.1-71.1170.1-172.9164.10110.7E281 E282 E283 C287 M288 H290 L473E281-K285 WeakPolarHBondContact O-CG 3.33Å; E281-K285 PolarHBondContact O-N 3.47Å; E281-K285 VanDerWaalsContact O-N 3.08Å; E281-K285 WeakPolarHBondContact OE1-CE 3.44Å; E281-K285 IonicContact OE1-NZ 2.68Å; E281-K285 PolarHBondContact OE1-NZ 2.96Å; E282-K285 WeakPolarHBondContact O-CB 3.45Å; E282-K285 PolarHBondContact O-N 2.8Å; E283-K285 VanDerWaalsContact C-N 3.32Å; E283-K285 PolarHBondContact O-N 3.45Å; K285-C287 VanDerWaalsContact C-N 3.31Å; K285-C287 PolarHBondContact O-N 2.84Å; K285-M288 WeakPolarHBondContact O-CA 3.13Å; K285-M288 PolarHBondContact O-N 3.39Å; K285-H290 HydrophobicContact CG-CB 3.77Å; K285-L473 HydrophobicContact CB-CD2 4.05Å
286V98.3Very high97.9Very high10 Ų1056.6 Ų56.66%0.06129%0.289CS..Hα-helixtrans-61.1-38.3177.9174.80000112.6E282 E283 M288 R467 H468 L473E282-V286 WeakPolarHBondContact O-CG2 3.31Å; E282-V286 PolarHBondContact O-N 2.97Å; E283-V286 PolarHBondContact O-N 3.27Å; V286-M288 PolarHBondContact O-N 2.83Å; V286-R467 HydrophobicContact CG1-CB 4.04Å; V286-R467 WeakPolarHBondContact CG2-O 3.18Å; V286-R467 PolarHBondContact O-NH2 3.11Å; V286-H468 HydrophobicContact CG2-CB 4.5Å; V286-L473 HydrophobicContact CG2-CD2 3.71Å
287C98.1Very high97.9Very high3 Ų358.1 Ų58.12%0.0230%0.297CS..THydrogen-bonded Turntrans-81.2-1.8176-62.80000113.1E283 K285 V289 A304E283-C287 WeakPolarHBondContact O-CB 3.41Å; E283-C287 PolarHBondContact O-N 2.73Å; E283-C287 PolarHBondContact O-SG 3.34Å; K285-C287 VanDerWaalsContact C-N 3.31Å; K285-C287 PolarHBondContact O-N 2.84Å; C287-V289 VanDerWaalsContact C-N 3.3Å; C287-V289 HydrophobicContact CB-CG2 3.98Å; C287-V289 PolarHBondContact O-N 3.5Å; C287-A304 HydrophobicContact CB-CB 4.33Å
288M97.7Very high98Very high23 Ų2361 Ų6111%0.11332%0.315CS..THydrogen-bonded Turntrans59.435.3-178.6-54.6-172166.400113.9A284 K285 V286 R335 R483 M486 A487 I490A284-M288 PolarHBondContact O-N 2.93Å; A284-M288 VanDerWaalsContact O-N 3.1Å; K285-M288 WeakPolarHBondContact O-CA 3.13Å; K285-M288 PolarHBondContact O-N 3.39Å; V286-M288 PolarHBondContact O-N 2.83Å; M288-R335 PolarHBondContact O-NH2 2.92Å; M288-R483 PolarHBondContact O-NH1 3.45Å; M288-R483 PolarHBondContact O-NH2 2.67Å; M288-M486 HydrophobicContact CE-CB 4.34Å; M288-A487 VanDerWaalsContact CE-CA 3.46Å; M288-A487 HydrophobicContact CE-CB 3.63Å; M288-A487 HydrophobicContact SD-CB 3.98Å; M288-I490 HydrophobicContact CE-CD1 3.82Å
289V97.9Very high98Very high0 Ų056.3 Ų56.30%029%0.285CS..  trans-126.314.3179.2-61.30000113.1L279 A284 C287 D291 M292 L293 L296 A304 I332L279-V289 HydrophobicContact CD1-CG2 4.01Å; A284-V289 HydrophobicContact CB-CG2 4.3Å; A284-V289 PolarHBondContact O-N 2.88Å; C287-V289 VanDerWaalsContact C-N 3.3Å; C287-V289 HydrophobicContact CB-CG2 3.98Å; C287-V289 PolarHBondContact O-N 3.5Å; V289-D291 PolarHBondContact O-N 2.83Å; V289-D291 VanDerWaalsContact O-N 3.16Å; V289-M292 CarbonylContact O-C 3.47Å; V289-M292 WeakPolarHBondContact O-CA 3.45Å; V289-M292 PolarHBondContact O-N 3.08Å; V289-L293 PolarHBondContact O-N 2.92Å; V289-L296 HydrophobicContact CG2-CD1 4Å; V289-A304 HydrophobicContact CG1-CB 4.16Å; V289-A304 HydrophobicContact CG2-CB 3.9Å; V289-I332 HydrophobicContact CG1-CD1 4.14Å; V289-I332 HydrophobicContact CG1-CG1 4.08Å; V289-I332 HydrophobicContact CG1-CG2 4.05Å
290H97.3Very high98Very high110 Ų11055.4 Ų55.451%0.50928%0.28SS..G310 helixtrans-54.5-33.9179.573.6-87000113.2A284 K285 M292 L293A284-H290 HydrophobicContact CB-CB 4.28Å; A284-H290 PolarHBondContact O-N 2.78Å; K285-H290 HydrophobicContact CG-CB 3.77Å; H290-M292 PolarHBondContact O-N 3.08Å; H290-L293 WeakPolarHBondContact O-CB 3.4Å; H290-L293 PolarHBondContact O-N 3.21Å
291D96.7Very high98Very high91 Ų9153.3 Ų53.349%0.48727%0.265SS..G310 helixtrans-66.7-18.5177.968.3-54.3000113.2V289 R335V289-D291 PolarHBondContact O-N 2.83Å; V289-D291 VanDerWaalsContact O-N 3.16Å; D291-R335 VanDerWaalsContact CG-NH1 3.32Å; D291-R335 IonicContact OD1-CZ 2.8Å; D291-R335 IonicContact OD1-NH1 2.67Å; D291-R335 PolarHBondContact OD1-NH1 2.64Å; D291-R335 IonicContact OD1-NH2 3.63Å; D291-R335 PolarHBondContact OD1-NH2 2.78Å; D291-R335 IonicContact OD2-CZ 2.91Å; D291-R335 IonicContact OD2-NH1 2.77Å; D291-R335 PolarHBondContact OD2-NH1 2.83Å; D291-R335 IonicContact OD2-NH2 3.46Å
292M97.4Very high98.1Very high14 Ų1447.7 Ų47.77%0.06924%0.239CC..G310 helixtrans-112.16.5179.8-64.2179.959.900112.8V289 H290 K294 D295 L296 K331 I332 R335V289-M292 CarbonylContact O-C 3.47Å; V289-M292 WeakPolarHBondContact O-CA 3.45Å; V289-M292 PolarHBondContact O-N 3.08Å; H290-M292 PolarHBondContact O-N 3.08Å; M292-K294 PolarHBondContact O-N 2.95Å; M292-D295 WeakPolarHBondContact O-CA 3.31Å; M292-D295 PolarHBondContact O-N 3.22Å; M292-L296 HydrophobicContact CB-CD2 4.17Å; M292-L296 WeakPolarHBondContact O-CG 3.45Å; M292-L296 PolarHBondContact O-N 3.48Å; M292-K331 HydrophobicContact CE-CB 3.64Å; M292-K331 HydrophobicContact CE-CD 4.3Å; M292-K331 HydrophobicContact SD-CB 4.38Å; M292-I332 HydrophobicContact CE-CG1 3.9Å; M292-I332 HydrophobicContact SD-CG1 4Å; M292-R335 PolarHBondContact SD-NH2 3.29Å
293L97.1Very high98.1Very high58 Ų5842.3 Ų42.330%0.30421%0.214SC..G310 helixtrans-51.7-38.4-168.8179.957.1000113.7L279 E281 A284 V289 H290 D295 L296L279-L293 HydrophobicContact CB-CD1 4.36Å; E281-L293 HydrophobicContact CB-CD2 4.28Å; E281-L293 HydrophobicContact CG-CD2 4.32Å; A284-L293 HydrophobicContact CB-CD1 3.85Å; A284-L293 HydrophobicContact CB-CD2 4.42Å; V289-L293 PolarHBondContact O-N 2.92Å; H290-L293 WeakPolarHBondContact O-CB 3.4Å; H290-L293 PolarHBondContact O-N 3.21Å; L293-D295 VanDerWaalsContact C-N 3.31Å; L293-D295 PolarHBondContact O-N 3.29Å; L293-L296 HydrophobicContact CD1-CD1 4.22Å
294K97Very high98.1Very high205 Ų20540.9 Ų40.989%0.89121%0.207SC*.G310 helixtrans-73.2-22180-63.4-178-179.3178.60114M292M292-K294 PolarHBondContact O-N 2.95Å
295D97Very high98.1Very high97 Ų9741 Ų4152%0.51921%0.208SC..G310 helixtrans-99.2-1.7-176.1-58.6-29.2000112.1M292 L293 T297 P328M292-D295 WeakPolarHBondContact O-CA 3.31Å; M292-D295 PolarHBondContact O-N 3.22Å; L293-D295 VanDerWaalsContact C-N 3.31Å; L293-D295 PolarHBondContact O-N 3.29Å; D295-T297 PolarHBondContact O-N 3.28Å; D295-P328 WeakPolarHBondContact O-CB 3.25Å; D295-P328 VanDerWaalsContact O-CG 3.29Å; D295-P328 WeakPolarHBondContact O-CG 3.33Å
296L98.4Very high98.2Very high30 Ų3037.3 Ų37.316%0.15719%0.192CC..  trans-71.4121.3-177.1-62.5-174.2000111.2L279 V289 M292 L293 A300 I332L279-L296 HydrophobicContact CD1-CD1 3.7Å; V289-L296 HydrophobicContact CG2-CD1 4Å; M292-L296 HydrophobicContact CB-CD2 4.17Å; M292-L296 WeakPolarHBondContact O-CG 3.45Å; M292-L296 PolarHBondContact O-N 3.48Å; L293-L296 HydrophobicContact CD1-CD1 4.22Å; L296-A300 HydrophobicContact CD2-CB 4.17Å; L296-I332 HydrophobicContact CD2-CD1 3.85Å
297T98.8Very high98.2Very high40 Ų4037 Ų3725%0.24519%0.19CC..  trans-84.7166.7166.861.10000110.4D295 L299 A300 T301 D326 P328D295-T297 PolarHBondContact O-N 3.28Å; T297-L299 PolarHBondContact O-N 2.96Å; T297-A300 PolarHBondContact O-N 3.34Å; T297-A300 WeakPolarHBondContact OG1-CB 3.33Å; T297-A300 PolarHBondContact OG1-N 2.84Å; T297-T301 WeakPolarHBondContact O-CB 3.47Å; T297-T301 PolarHBondContact O-N 2.91Å; T297-T301 PolarHBondContact O-OG1 2.94Å; T297-T301 VanDerWaalsContact O-OG1 3.08Å; T297-D326 VanDerWaalsContact CB-OD2 3.25Å; T297-D326 WeakPolarHBondContact CB-OD2 3.45Å; T297-D326 WeakPolarHBondContact CG2-OD2 3.48Å; T297-D326 PolarHBondContact OG1-OD2 3.25Å; T297-P328 HydrophobicContact CG2-CG 4.04Å
298P98.9Very high98.2Very high84 Ų8436.9 Ų36.955%0.54519%0.189SC..Hα-helixtrans-52.8-39.2174.1-2936.5000113.8A260 G276 A302A260-P298 HydrophobicContact CB-CB 4.12Å; G276-P298 WeakPolarHBondContact CA-O 3.25Å; P298-A302 WeakPolarHBondContact O-CB 3.37Å; P298-A302 PolarHBondContact O-N 3.1Å
299L98.9Very high98.2Very high6 Ų636.1 Ų36.13%0.03119%0.185CC..Hα-helixtrans-71.9-43.7178.8-173.163.5000112.1A260 T297 T301 A302 Y303 L321 D323 V324A260-L299 HydrophobicContact CB-CB 4.19Å; A260-L299 HydrophobicContact CB-CD1 4.21Å; T297-L299 PolarHBondContact O-N 2.96Å; L299-T301 VanDerWaalsContact C-N 3.27Å; L299-T301 PolarHBondContact O-N 3.05Å; L299-A302 WeakPolarHBondContact O-CB 3.29Å; L299-A302 PolarHBondContact O-N 3.19Å; L299-A302 VanDerWaalsContact O-N 3.17Å; L299-Y303 PolarHBondContact O-N 2.95Å; L299-L321 HydrophobicContact CD1-CB 4.13Å; L299-L321 HydrophobicContact CD1-CD2 4.05Å; L299-L321 HydrophobicContact CD2-CB 4.43Å; L299-L321 HydrophobicContact CD2-CD1 4.08Å; L299-L321 HydrophobicContact CG-CD2 4.35Å; L299-D323 HydrophobicContact CD1-CB 4.31Å; L299-D323 HydrophobicContact CD2-CB 4.09Å; L299-V324 VanDerWaalsContact CD2-O 3.28Å; L299-V324 WeakPolarHBondContact CD2-O 3.1Å
300A98.9Very high98.2Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-62.2-39176.400000111.3L296 T297 Y303 A304 P328 T329 I332L296-A300 HydrophobicContact CD2-CB 4.17Å; T297-A300 PolarHBondContact O-N 3.34Å; T297-A300 WeakPolarHBondContact OG1-CB 3.33Å; T297-A300 PolarHBondContact OG1-N 2.84Å; A300-Y303 PolarHBondContact O-N 3.32Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 2.96Å; A300-P328 HydrophobicContact CB-CB 3.89Å; A300-T329 WeakPolarHBondContact CA-OG1 3.31Å; A300-T329 WeakPolarHBondContact CB-OG1 3.3Å; A300-T329 PolarHBondContact N-OG1 3.28Å; A300-T329 VanDerWaalsContact N-OG1 3.13Å; A300-I332 HydrophobicContact CB-CD1 3.93Å
301T98.9Very high98.1Very high8 Ų832.9 Ų32.95%0.04917%0.171CC..Hα-helixtrans-62.9-46.6172.4-65.60000111.9V277 L279 T297 L299 Y303 A304 R305V277-T301 WeakPolarHBondContact O-CG2 3.44Å; L279-T301 HydrophobicContact CD1-CG2 4.15Å; L279-T301 HydrophobicContact CG-CG2 3.93Å; T297-T301 WeakPolarHBondContact O-CB 3.47Å; T297-T301 PolarHBondContact O-N 2.91Å; T297-T301 PolarHBondContact O-OG1 2.94Å; T297-T301 VanDerWaalsContact O-OG1 3.08Å; L299-T301 VanDerWaalsContact C-N 3.27Å; L299-T301 PolarHBondContact O-N 3.05Å; T301-Y303 VanDerWaalsContact C-N 3.3Å; T301-Y303 PolarHBondContact O-N 3.31Å; T301-A304 PolarHBondContact O-N 3.35Å; T301-R305 HydrophobicContact CG2-CG 4.5Å; T301-R305 WeakPolarHBondContact O-CG 3.37Å; T301-R305 PolarHBondContact O-N 3.29Å
302A98.9Very high97.9Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-57-45.4176.500000111A262 A274 P298 L299 R305 A306A262-A302 HydrophobicContact CB-CB 3.86Å; A274-A302 WeakPolarHBondContact CB-O 3.29Å; P298-A302 WeakPolarHBondContact O-CB 3.37Å; P298-A302 PolarHBondContact O-N 3.1Å; L299-A302 WeakPolarHBondContact O-CB 3.29Å; L299-A302 PolarHBondContact O-N 3.19Å; L299-A302 VanDerWaalsContact O-N 3.17Å; A302-R305 PolarHBondContact O-N 3.47Å; A302-A306 WeakPolarHBondContact O-CB 3.41Å; A302-A306 PolarHBondContact O-N 2.71Å
303Y98.9Very high97.9Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-68.5-41178.5178-117000112.7L299 A300 T301 R305 A306 R307 I319 T329 I332 I333L299-Y303 PolarHBondContact O-N 2.95Å; A300-Y303 PolarHBondContact O-N 3.32Å; T301-Y303 VanDerWaalsContact C-N 3.3Å; T301-Y303 PolarHBondContact O-N 3.31Å; Y303-R305 VanDerWaalsContact C-N 3.28Å; Y303-R305 PolarHBondContact O-N 2.83Å; Y303-A306 PolarHBondContact O-N 2.91Å; Y303-R307 HydrophobicContact CE2-CB 4.23Å; Y303-R307 WeakPolarHBondContact O-CB 3.28Å; Y303-R307 PolarHBondContact O-N 2.97Å; Y303-R307 WeakPolarHBondContact OH-CD 3.48Å; Y303-R307 PolarHBondContact OH-NH1 3.32Å; Y303-I319 HydrophobicContact CD2-CG2 3.73Å; Y303-I319 HydrophobicContact CE1-CD1 4.38Å; Y303-I319 HydrophobicContact CE2-CB 4.29Å; Y303-I319 HydrophobicContact CE2-CD1 3.68Å; Y303-I319 HydrophobicContact CE2-CG1 3.7Å; Y303-I319 HydrophobicContact CE2-CG2 3.64Å; Y303-I319 WeakPolarHBondContact OH-CD1 3.38Å; Y303-T329 HydrophobicContact CD1-CG2 4.39Å; Y303-I332 HydrophobicContact CD1-CB 4.24Å; Y303-I332 HydrophobicContact CD1-CG2 3.83Å; Y303-I332 HydrophobicContact CE1-CB 4.34Å; Y303-I332 HydrophobicContact CE1-CG2 3.73Å; Y303-I333 HydrophobicContact CD1-CD1 4.46Å; Y303-I333 HydrophobicContact CD1-CG1 3.83Å; Y303-I333 HydrophobicContact CE1-CB 4.35Å; Y303-I333 HydrophobicContact CE1-CD1 4.25Å; Y303-I333 HydrophobicContact CE1-CG1 3.28Å
304A98.9Very high97.9Very high2 Ų229.7 Ų29.72%0.01716%0.156CC..Hα-helixtrans-57-43.9174.800000111.6L279 C287 V289 A300 T301 G308 I332L279-A304 HydrophobicContact CD1-CB 4Å; C287-A304 HydrophobicContact CB-CB 4.33Å; V289-A304 HydrophobicContact CG1-CB 4.16Å; V289-A304 HydrophobicContact CG2-CB 3.9Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 2.96Å; T301-A304 PolarHBondContact O-N 3.35Å; A304-G308 WeakPolarHBondContact O-CA 3.49Å; A304-G308 PolarHBondContact O-N 2.83Å; A304-I332 HydrophobicContact CB-CD1 4.32Å
305R98.8Very high97.9Very high2 Ų225.2 Ų25.21%0.00814%0.137CC..Hα-helixtrans-64.5-49.5175.1-73.3-168.8176.9-80.84.1112.2A274 V277 P278 L279 E283 T301 A302 Y303 R307 G308 S309 Q439A274-R305 HydrophobicContact CB-CB 3.5Å; A274-R305 VanDerWaalsContact CB-CB 3.5Å; V277-R305 PolarHBondContact O-NE 3.24Å; V277-R305 PolarHBondContact O-NH2 2.88Å; P278-R305 PolarHBondContact O-NH2 2.84Å; L279-R305 HydrophobicContact CD2-CG 3.82Å; L279-R305 VanDerWaalsContact CD2-CZ 3.49Å; L279-R305 HydrophobicContact CG-CG 4.42Å; E283-R305 IonicContact OE1-CZ 2.67Å; E283-R305 IonicContact OE1-NH1 2.7Å; E283-R305 PolarHBondContact OE1-NH1 3.38Å; E283-R305 IonicContact OE1-NH2 2.91Å; E283-R305 PolarHBondContact OE1-NH2 2.98Å; E283-R305 IonicContact OE2-CZ 3.48Å; E283-R305 IonicContact OE2-NH1 2.77Å; E283-R305 IonicContact OE2-NH2 2.85Å; E283-R305 PolarHBondContact OE2-NH2 2.98Å; T301-R305 HydrophobicContact CG2-CG 4.5Å; T301-R305 WeakPolarHBondContact O-CG 3.37Å; T301-R305 PolarHBondContact O-N 3.29Å; A302-R305 PolarHBondContact O-N 3.47Å; Y303-R305 VanDerWaalsContact C-N 3.28Å; Y303-R305 PolarHBondContact O-N 2.83Å; R305-R307 PolarHBondContact O-N 3.24Å; R305-G308 CarbonylContact O-C 3.49Å; R305-G308 WeakPolarHBondContact O-CA 3.39Å; R305-G308 PolarHBondContact O-N 3.23Å; R305-S309 PolarHBondContact O-N 2.85Å; R305-S309 PolarHBondContact O-OG 2.86Å; R305-Q439 HydrophobicContact CB-CB 3.93Å; R305-Q439 HydrophobicContact CB-CG 4.41Å; R305-Q439 VanDerWaalsContact CB-OE1 3.32Å; R305-Q439 PolarHBondContact O-NE2 3.38Å
306A98.9Very high97.9Very high0 Ų020.8 Ų20.80%011%0.114CC..Hα-helixtrans-59.8-46.4-178.600000112.6G272 A274 A302 Y303 G308 S309G272-A306 VanDerWaalsContact CA-O 3.3Å; G272-A306 WeakPolarHBondContact CA-O 3.4Å; A274-A306 HydrophobicContact CB-CB 4.34Å; A302-A306 WeakPolarHBondContact O-CB 3.41Å; A302-A306 PolarHBondContact O-N 2.71Å; Y303-A306 PolarHBondContact O-N 2.91Å; A306-G308 VanDerWaalsContact C-N 3.27Å; A306-G308 PolarHBondContact O-N 3.36Å; A306-S309 PolarHBondContact O-OG 3.4Å
307R98.7Very high97.9Very high5 Ų519.4 Ų19.42%0.01911%0.107CC..Hα-helixtrans-70.1-29173.7-169.2179.2-173.978.96.7112Y303 R305 S309 R311 S314 D317 E336 V337Y303-R307 HydrophobicContact CE2-CB 4.23Å; Y303-R307 WeakPolarHBondContact O-CB 3.28Å; Y303-R307 PolarHBondContact O-N 2.97Å; Y303-R307 WeakPolarHBondContact OH-CD 3.48Å; Y303-R307 PolarHBondContact OH-NH1 3.32Å; R305-R307 PolarHBondContact O-N 3.24Å; R307-S309 VanDerWaalsContact C-N 3.3Å; R307-S309 PolarHBondContact O-N 3Å; R307-R311 VanDerWaalsContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.36Å; R307-S314 PolarHBondContact NH1-O 2.61Å; R307-S314 VanDerWaalsContact NH1-O 3.07Å; R307-S314 PolarHBondContact NH2-O 3.12Å; R307-S314 VanDerWaalsContact NH2-O 3.16Å; R307-D317 IonicContact CZ-OD1 3.18Å; R307-D317 IonicContact NH1-OD1 2.87Å; R307-D317 PolarHBondContact NH1-OD1 2.86Å; R307-D317 IonicContact NH1-OD2 3.5Å; R307-D317 PolarHBondContact NH1-OD2 3.39Å; R307-E336 IonicContact CZ-OE2 2.71Å; R307-E336 IonicContact NE-OE2 2.63Å; R307-E336 PolarHBondContact NE-OE2 2.81Å; R307-E336 IonicContact NH2-OE2 3.2Å; R307-V337 PolarHBondContact NH2-O 3.48Å
308G98.3Very high97.9Very high0 Ų017.5 Ų17.50%010%0.095CC..Hα-helixtrans-70-21.6-179.500000114.2A304 R305 A306 R467A304-G308 WeakPolarHBondContact O-CA 3.49Å; A304-G308 PolarHBondContact O-N 2.83Å; R305-G308 CarbonylContact O-C 3.49Å; R305-G308 WeakPolarHBondContact O-CA 3.39Å; R305-G308 PolarHBondContact O-N 3.23Å; A306-G308 VanDerWaalsContact C-N 3.27Å; A306-G308 PolarHBondContact O-N 3.36Å; G308-R467 VanDerWaalsContact O-CZ 3.3Å; G308-R467 PolarHBondContact O-NH1 3.4Å; G308-R467 PolarHBondContact O-NH2 3.01Å
309S97.8Very high97.9Very high6 Ų613.5 Ų13.54%0.0427%0.069CC..Hα-helixtrans-53.3-60176.7-54.90000111.2R305 A306 R307 V440 R467R305-S309 PolarHBondContact O-N 2.85Å; R305-S309 PolarHBondContact O-OG 2.86Å; A306-S309 PolarHBondContact O-OG 3.4Å; R307-S309 VanDerWaalsContact C-N 3.3Å; R307-S309 PolarHBondContact O-N 3Å; S309-V440 WeakPolarHBondContact CB-O 3.37Å; S309-V440 PolarHBondContact OG-O 3.26Å; S309-R467 PolarHBondContact O-NH1 2.79Å
310D97.4Very high97.9Very high26 Ų2613.2 Ų13.214%0.1397%0.068CC..  trans-142.2102.4177.6-177.9-24.5000109.1M312 S313 S314 K460D310-M312 VanDerWaalsContact C-N 3.31Å; D310-M312 PolarHBondContact O-N 3.41Å; D310-M312 PolarHBondContact OD1-N 2.73Å; D310-M312 VanDerWaalsContact OD1-N 3.11Å; D310-S313 VanDerWaalsContact CG-CB 3.43Å; D310-S313 WeakPolarHBondContact OD1-CB 3.41Å; D310-S313 PolarHBondContact OD1-N 2.95Å; D310-S313 PolarHBondContact OD1-OG 2.9Å; D310-S313 WeakPolarHBondContact OD2-CB 3.43Å; D310-S313 PolarHBondContact OD2-OG 3.21Å; D310-S314 WeakPolarHBondContact O-CB 3.28Å; D310-S314 PolarHBondContact O-N 2.84Å; D310-S314 PolarHBondContact O-OG 3.35Å; D310-K460 IonicContact OD2-NZ 3.35Å
311R94.5Very high97.9Very high17 Ų1713.2 Ų13.26%0.0647%0.068CC..THydrogen-bonded Turntrans-70.4-28.8-174.1-67.2-76-68.4-178.95.8112.2R307 E336 A487R307-R311 VanDerWaalsContact O-CD 3.27Å; R307-R311 WeakPolarHBondContact O-CD 3.36Å; R311-E336 IonicContact CZ-OE1 3.73Å; R311-E336 IonicContact CZ-OE2 2.64Å; R311-E336 IonicContact NH1-OE1 3.97Å; R311-E336 PolarHBondContact NH1-OE1 2.7Å; R311-E336 IonicContact NH1-OE2 3.79Å; R311-E336 IonicContact NH2-OE1 3.91Å; R311-E336 PolarHBondContact NH2-OE1 3.02Å; R311-E336 IonicContact NH2-OE2 2.72Å; R311-E336 PolarHBondContact NH2-OE2 2.87Å; R311-A487 HydrophobicContact CB-CB 4.33Å
312M93.8Very high97.9Very high55 Ų5513.6 Ų13.627%0.2717%0.071SC..THydrogen-bonded Turntrans-75.8-47.1179.5-66.8-56.998.800110.1D310 S314 F315 A487 N488 D491D310-M312 VanDerWaalsContact C-N 3.31Å; D310-M312 PolarHBondContact O-N 3.41Å; D310-M312 PolarHBondContact OD1-N 2.73Å; D310-M312 VanDerWaalsContact OD1-N 3.11Å; M312-S314 PolarHBondContact O-N 3.33Å; M312-F315 VanDerWaalsContact O-CB 3.27Å; M312-F315 WeakPolarHBondContact O-CB 3.36Å; M312-F315 PolarHBondContact O-N 2.97Å; M312-F315 VanDerWaalsContact O-N 3.09Å; M312-A487 HydrophobicContact CE-CB 3.69Å; M312-N488 HydrophobicContact CE-CB 4.18Å; M312-N488 HydrophobicContact SD-CB 3.98Å; M312-N488 PolarHBondContact SD-ND2 3.45Å; M312-N488 VanDerWaalsContact SD-ND2 3.41Å; M312-D491 HydrophobicContact CG-CB 3.98Å; M312-D491 WeakPolarHBondContact CG-OD2 3.35Å
313S96.8Very high97.9Very high40 Ų4015.9 Ų15.928%0.288%0.083SC..THydrogen-bonded Turntrans-62.3-31174.9-64.80000112.3K266 D310 F315K266-S313 WeakPolarHBondContact CB-O 3.47Å; K266-S313 WeakPolarHBondContact CG-O 3.36Å; D310-S313 VanDerWaalsContact CG-CB 3.43Å; D310-S313 WeakPolarHBondContact OD1-CB 3.41Å; D310-S313 PolarHBondContact OD1-N 2.95Å; D310-S313 PolarHBondContact OD1-OG 2.9Å; D310-S313 WeakPolarHBondContact OD2-CB 3.43Å; D310-S313 PolarHBondContact OD2-OG 3.21Å; S313-F315 PolarHBondContact O-N 2.86Å
314S97.8Very high97.9Very high0 Ų019.6 Ų19.60%011%0.105CC..THydrogen-bonded Turntrans-78.60.6177.1-53.70000114.4S264 R307 D310 M312 G316 D317S264-S314 WeakPolarHBondContact OG-CB 3.32Å; S264-S314 PolarHBondContact OG-OG 2.97Å; R307-S314 PolarHBondContact NH1-O 2.61Å; R307-S314 VanDerWaalsContact NH1-O 3.07Å; R307-S314 PolarHBondContact NH2-O 3.12Å; R307-S314 VanDerWaalsContact NH2-O 3.16Å; D310-S314 WeakPolarHBondContact O-CB 3.28Å; D310-S314 PolarHBondContact O-N 2.84Å; D310-S314 PolarHBondContact O-OG 3.35Å; M312-S314 PolarHBondContact O-N 3.33Å; S314-G316 PolarHBondContact O-N 3.5Å; S314-D317 WeakPolarHBondContact O-CB 3.43Å; S314-D317 PolarHBondContact O-N 3.13Å
315F96.2Very high97.9Very high112 Ų11219.5 Ų19.549%0.49110%0.104SC..THydrogen-bonded Turntrans-68.3114176.7-175.2-86.6000110.5K266 M312 S313 V337K266-F315 PolarHBondContact NZ-O 3.45Å; M312-F315 VanDerWaalsContact O-CB 3.27Å; M312-F315 WeakPolarHBondContact O-CB 3.36Å; M312-F315 PolarHBondContact O-N 2.97Å; M312-F315 VanDerWaalsContact O-N 3.09Å; S313-F315 PolarHBondContact O-N 2.86Å; F315-V337 HydrophobicContact CD1-CG1 4.29Å; F315-V337 HydrophobicContact CD2-CB 3.96Å; F315-V337 HydrophobicContact CD2-CG1 4.27Å; F315-V337 HydrophobicContact CD2-CG2 4.26Å; F315-V337 HydrophobicContact CE1-CG1 3.93Å; F315-V337 HydrophobicContact CE2-CB 3.74Å; F315-V337 HydrophobicContact CE2-CG1 3.92Å; F315-V337 HydrophobicContact CE2-CG2 3.62Å; F315-V337 HydrophobicContact CG-CG1 4.46Å; F315-V337 HydrophobicContact CZ-CB 4.1Å; F315-V337 HydrophobicContact CZ-CG1 3.73Å; F315-V337 HydrophobicContact CZ-CG2 4.04Å
316G96.9Very high97.9Very high4 Ų420.2 Ų20.24%0.04111%0.109CC..THydrogen-bonded Turntrans68.145.7-173.600000111.6K266 S314 V337K266-G316 WeakPolarHBondContact CD-O 3.29Å; K266-G316 PolarHBondContact NZ-O 3.09Å; S314-G316 PolarHBondContact O-N 3.5Å; G316-V337 PolarHBondContact N-O 3.39Å
317D98.6Very high97.9Very high0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-77161176.562.7-23.3000113.1S264 F265 R307 S314 S338 D339 G340S264-D317 WeakPolarHBondContact CB-OD2 3.44Å; S264-D317 WeakPolarHBondContact OG-CB 3.5Å; S264-D317 VanDerWaalsContact OG-CG 3.24Å; S264-D317 PolarHBondContact OG-OD2 2.91Å; F265-D317 CarbonylContact O-C 3.57Å; F265-D317 WeakPolarHBondContact O-CA 3.36Å; F265-D317 WeakPolarHBondContact O-CB 3.48Å; R307-D317 IonicContact CZ-OD1 3.18Å; R307-D317 IonicContact NH1-OD1 2.87Å; R307-D317 PolarHBondContact NH1-OD1 2.86Å; R307-D317 IonicContact NH1-OD2 3.5Å; R307-D317 PolarHBondContact NH1-OD2 3.39Å; S314-D317 WeakPolarHBondContact O-CB 3.43Å; S314-D317 PolarHBondContact O-N 3.13Å; D317-S338 PolarHBondContact O-OG 3.47Å; D317-S338 WeakPolarHBondContact OD1-CA 3.29Å; D317-S338 WeakPolarHBondContact OD1-CB 3.5Å; D317-S338 PolarHBondContact OD1-OG 3.28Å; D317-D339 PolarHBondContact O-N 3.11Å; D317-G340 PolarHBondContact O-N 3.38Å
318F98.9Very high97.9Very high1 Ų122.8 Ų22.80%0.00413%0.125CC..EExtended strand (participates in β ladder)trans-102.4124.6161.7-152.9-77.7000109.5N239 D242 A243 F265 I342 L365N239-F318 HydrophobicContact CB-CD2 3.87Å; N239-F318 HydrophobicContact CB-CE2 3.69Å; D242-F318 HydrophobicContact CB-CB 3.57Å; D242-F318 HydrophobicContact CB-CG 4.06Å; A243-F318 HydrophobicContact CB-CD1 3.77Å; A243-F318 HydrophobicContact CB-CE1 3.34Å; A243-F318 HydrophobicContact CB-CZ 3.81Å; F265-F318 WeakPolarHBondContact CB-O 3.17Å; F265-F318 PolarHBondContact N-O 2.98Å; F265-F318 PolarHBondContact O-N 3.39Å; F318-I342 HydrophobicContact CE1-CB 4.03Å; F318-I342 HydrophobicContact CE1-CG2 4.03Å; F318-L365 HydrophobicContact CE1-CD1 4.25Å; F318-L365 HydrophobicContact CZ-CD1 3.59Å; F318-L365 HydrophobicContact CZ-CG 4.16Å
319I98.9Very high97.9Very high0 Ų022.8 Ų22.80%013%0.125CC..EExtended strand (participates in β ladder)trans-95.6140.2-172-52.8167.8000109.2T263 Y303 L321 I333 S338 G340 I341 I342T263-I319 WeakPolarHBondContact O-CA 3.42Å; Y303-I319 HydrophobicContact CD2-CG2 3.73Å; Y303-I319 HydrophobicContact CE1-CD1 4.38Å; Y303-I319 HydrophobicContact CE2-CB 4.29Å; Y303-I319 HydrophobicContact CE2-CD1 3.68Å; Y303-I319 HydrophobicContact CE2-CG1 3.7Å; Y303-I319 HydrophobicContact CE2-CG2 3.64Å; Y303-I319 WeakPolarHBondContact OH-CD1 3.38Å; I319-L321 HydrophobicContact CG2-CD2 3.98Å; I319-L321 HydrophobicContact CG2-CG 4.28Å; I319-I333 HydrophobicContact CD1-CB 4.37Å; I319-I333 HydrophobicContact CD1-CD1 3.77Å; I319-I333 HydrophobicContact CD1-CG1 3.7Å; I319-I333 HydrophobicContact CD1-CG2 3.74Å; I319-S338 WeakPolarHBondContact CD1-OG 3.41Å; I319-G340 PolarHBondContact N-O 3.49Å; I319-I341 HydrophobicContact CB-CB 4.12Å; I319-I341 HydrophobicContact CB-CD1 4.41Å; I319-I341 HydrophobicContact CB-CG1 4.06Å; I319-I341 HydrophobicContact CG2-CD1 4.18Å; I319-I341 HydrophobicContact CG2-CG1 4.22Å; I319-I341 CarbonylContact O-C 3.59Å; I319-I341 VanDerWaalsContact O-CA 3.27Å; I319-I341 WeakPolarHBondContact O-CA 3.43Å; I319-I342 WeakPolarHBondContact O-CG2 3.32Å; I319-I342 PolarHBondContact O-N 3.48Å
320A99Very high98Very high0 Ų022.5 Ų22.50%012%0.123CC..EExtended strand (participates in β ladder)trans-123.2143.8160.900000111.5A246 V250 A262 T263 I342A246-A320 VanDerWaalsContact C-CB 3.42Å; A246-A320 HydrophobicContact CB-CB 3.51Å; A246-A320 WeakPolarHBondContact O-CB 3.12Å; V250-A320 HydrophobicContact CG1-CB 4.17Å; V250-A320 HydrophobicContact CG2-CB 3.88Å; A262-A320 VanDerWaalsContact CA-O 3.29Å; A262-A320 WeakPolarHBondContact CA-O 3.41Å; T263-A320 HydrophobicContact CG2-CB 3.87Å; T263-A320 PolarHBondContact N-O 2.99Å; T263-A320 PolarHBondContact O-N 3.35Å; A320-I342 VanDerWaalsContact CA-O 3.29Å; A320-I342 WeakPolarHBondContact CA-O 3.3Å; A320-I342 HydrophobicContact CB-CG2 3.47Å; A320-I342 VanDerWaalsContact CB-CG2 3.47Å
321L99Very high98.1Very high0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-126.3134.4178.6-57.9-177.8000109.5W247 A262 L299 I319 D323 C325 T329 I341 I342 A343 P344W247-L321 WeakPolarHBondContact CZ3-O 3.35Å; A262-L321 HydrophobicContact CB-CD2 3.7Å; L299-L321 HydrophobicContact CD1-CB 4.13Å; L299-L321 HydrophobicContact CD1-CD2 4.05Å; L299-L321 HydrophobicContact CD2-CB 4.43Å; L299-L321 HydrophobicContact CD2-CD1 4.08Å; L299-L321 HydrophobicContact CG-CD2 4.35Å; I319-L321 HydrophobicContact CG2-CD2 3.98Å; I319-L321 HydrophobicContact CG2-CG 4.28Å; L321-D323 VanDerWaalsContact C-N 3.31Å; L321-C325 HydrophobicContact CD1-CB 3.72Å; L321-T329 HydrophobicContact CD1-CG2 3.81Å; L321-T329 HydrophobicContact CD2-CG2 4.15Å; L321-I341 HydrophobicContact CD1-CD1 3.55Å; L321-I341 HydrophobicContact CG-CD1 3.98Å; L321-I342 PolarHBondContact N-O 3.17Å; L321-A343 HydrophobicContact CB-CB 4.05Å; L321-A343 HydrophobicContact CD1-CB 4.49Å; L321-P344 WeakPolarHBondContact O-CD 3.39Å
322S98.9Very high98.3Very high16 Ų1625.1 Ų25.111%0.11213%0.134CC..SBendtrans-76.7-18.8177.859.90000114.2A261A261-S322 PolarHBondContact N-OG 2.68Å; A261-S322 PolarHBondContact O-N 3.18Å; A261-S322 PolarHBondContact O-OG 3.31Å
323D98.9Very high98.5Very high48 Ų4822.5 Ų22.526%0.25712%0.121SC..SBendtrans-124.6167.4-173.1-66.9-114000110K254 A260 L299 L321 C325 P344K254-D323 VanDerWaalsContact NZ-CG 3.3Å; K254-D323 IonicContact NZ-OD1 3.66Å; K254-D323 PolarHBondContact NZ-OD1 3.36Å; K254-D323 IonicContact NZ-OD2 3.54Å; K254-D323 PolarHBondContact NZ-OD2 3.43Å; A260-D323 WeakPolarHBondContact CA-OD2 3.39Å; L299-D323 HydrophobicContact CD1-CB 4.31Å; L299-D323 HydrophobicContact CD2-CB 4.09Å; L321-D323 VanDerWaalsContact C-N 3.31Å; D323-C325 PolarHBondContact O-N 3.35Å; D323-P344 VanDerWaalsContact C-CG 3.49Å; D323-P344 WeakPolarHBondContact O-CD 3.47Å
324V98.9Very high98.6Very high77 Ų7723.1 Ų23.147%0.46713%0.125SC..PPolyproline II helixtrans-56.6128.4176.8174.30000109.7L299 D326 G345 E347L299-V324 VanDerWaalsContact CD2-O 3.28Å; L299-V324 WeakPolarHBondContact CD2-O 3.1Å; V324-D326 PolarHBondContact O-N 3.34Å; V324-G345 WeakPolarHBondContact CA-O 3.47Å; V324-E347 HydrophobicContact CG1-CG 4.25Å
325C98.9Very high98.5Very high0 Ų026.5 Ų26.50%014%0.138CC..BIsolated β-bridgetrans-67.4117.5-178.2-172.10000110.8L321 D323 G345 Y346 E347 A350L321-C325 HydrophobicContact CD1-CB 3.72Å; D323-C325 PolarHBondContact O-N 3.35Å; C325-G345 PolarHBondContact N-O 3.19Å; C325-Y346 HydrophobicContact CB-CD1 3.41Å; C325-Y346 VanDerWaalsContact CB-CD1 3.41Å; C325-Y346 HydrophobicContact CB-CE1 3.86Å; C325-Y346 HydrophobicContact CB-CG 4.24Å; C325-E347 PolarHBondContact O-N 3.13Å; C325-A350 VanDerWaalsContact O-CB 3.23Å; C325-A350 WeakPolarHBondContact O-CB 3.4Å
326D98.9Very high98.5Very high18 Ų1821.9 Ų21.910%0.09612%0.118CC..PPolyproline II helixtrans-89.8165.2178.161.930.2000113.1T297 V324 P328 T329 A330 E347T297-D326 VanDerWaalsContact CB-OD2 3.25Å; T297-D326 WeakPolarHBondContact CB-OD2 3.45Å; T297-D326 WeakPolarHBondContact CG2-OD2 3.48Å; T297-D326 PolarHBondContact OG1-OD2 3.25Å; V324-D326 PolarHBondContact O-N 3.34Å; D326-P328 WeakPolarHBondContact OD1-CD 3.31Å; D326-T329 PolarHBondContact O-N 3.25Å; D326-T329 WeakPolarHBondContact OD1-CB 3.22Å; D326-T329 PolarHBondContact OD1-N 2.8Å; D326-T329 PolarHBondContact OD1-OG1 2.82Å; D326-A330 PolarHBondContact O-N 2.82Å; D326-E347 WeakPolarHBondContact CA-OE2 3.26Å
327V98.9Very high98.5Very high34 Ų3424.5 Ų24.521%0.20613%0.133CC..Hα-helixtrans-56.4-45.7179170.90000113.4T329 A330 K331 E347 E349 I353V327-T329 PolarHBondContact O-N 3.14Å; V327-A330 PolarHBondContact O-N 3.2Å; V327-K331 HydrophobicContact CG1-CD 4.03Å; V327-K331 HydrophobicContact CG1-CG 4.26Å; V327-K331 WeakPolarHBondContact O-CB 3.34Å; V327-K331 WeakPolarHBondContact O-CG 3.42Å; V327-K331 PolarHBondContact O-N 2.89Å; V327-E347 PolarHBondContact N-OE2 2.58Å; V327-E349 HydrophobicContact CG2-CB 3.69Å; V327-I353 HydrophobicContact CG1-CD1 4.05Å
328P98.8Very high98.5Very high24 Ų2424.6 Ų24.616%0.15613%0.133CC..Hα-helixtrans-58.4-43.6176.8-28.739.2000113.1D295 T297 A300 D326 K331 I332D295-P328 WeakPolarHBondContact O-CB 3.25Å; D295-P328 VanDerWaalsContact O-CG 3.29Å; D295-P328 WeakPolarHBondContact O-CG 3.33Å; T297-P328 HydrophobicContact CG2-CG 4.04Å; A300-P328 HydrophobicContact CB-CB 3.89Å; D326-P328 WeakPolarHBondContact OD1-CD 3.31Å; P328-K331 PolarHBondContact O-N 2.93Å; P328-I332 WeakPolarHBondContact O-CG1 3.5Å; P328-I332 PolarHBondContact O-N 3.36Å; P328-I332 VanDerWaalsContact O-N 3.08Å
329T98.9Very high98.5Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-61.3-49.2175.7-55.10000110.5A300 Y303 L321 D326 V327 K331 I332 I333A300-T329 WeakPolarHBondContact CA-OG1 3.31Å; A300-T329 WeakPolarHBondContact CB-OG1 3.3Å; A300-T329 PolarHBondContact N-OG1 3.28Å; A300-T329 VanDerWaalsContact N-OG1 3.13Å; Y303-T329 HydrophobicContact CD1-CG2 4.39Å; L321-T329 HydrophobicContact CD1-CG2 3.81Å; L321-T329 HydrophobicContact CD2-CG2 4.15Å; D326-T329 PolarHBondContact O-N 3.25Å; D326-T329 WeakPolarHBondContact OD1-CB 3.22Å; D326-T329 PolarHBondContact OD1-N 2.8Å; D326-T329 PolarHBondContact OD1-OG1 2.82Å; V327-T329 PolarHBondContact O-N 3.14Å; T329-K331 VanDerWaalsContact C-N 3.29Å; T329-K331 PolarHBondContact O-N 3.36Å; T329-I332 PolarHBondContact O-N 2.86Å; T329-I332 VanDerWaalsContact O-N 3.14Å; T329-I333 HydrophobicContact CG2-CD1 3.95Å; T329-I333 WeakPolarHBondContact O-CG1 3.42Å; T329-I333 PolarHBondContact O-N 3.02Å
330A98.9Very high98.5Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-59.9-36.9177.600000113D326 V327 I333 S334 A350 I353 L354D326-A330 PolarHBondContact O-N 2.82Å; V327-A330 PolarHBondContact O-N 3.2Å; A330-I333 PolarHBondContact O-N 3Å; A330-S334 WeakPolarHBondContact O-CB 3.41Å; A330-S334 PolarHBondContact O-N 2.65Å; A330-A350 HydrophobicContact CB-CB 3.78Å; A330-I353 HydrophobicContact CB-CB 4.19Å; A330-I353 HydrophobicContact CB-CD1 4.42Å; A330-I353 HydrophobicContact CB-CG2 4.07Å; A330-L354 HydrophobicContact CB-CD1 4.37Å; A330-L354 HydrophobicContact CB-CD2 4.17Å; A330-L354 HydrophobicContact CB-CG 3.96Å
331K98.8Very high98.5Very high98 Ų9827.3 Ų27.343%0.42615%0.148SC..Hα-helixtrans-64.3-42.4175.3-79.6177.5178.5176.60111.8M292 V327 P328 T329 I333 S334 I353M292-K331 HydrophobicContact CE-CB 3.64Å; M292-K331 HydrophobicContact CE-CD 4.3Å; M292-K331 HydrophobicContact SD-CB 4.38Å; V327-K331 HydrophobicContact CG1-CD 4.03Å; V327-K331 HydrophobicContact CG1-CG 4.26Å; V327-K331 WeakPolarHBondContact O-CB 3.34Å; V327-K331 WeakPolarHBondContact O-CG 3.42Å; V327-K331 PolarHBondContact O-N 2.89Å; P328-K331 PolarHBondContact O-N 2.93Å; T329-K331 VanDerWaalsContact C-N 3.29Å; T329-K331 PolarHBondContact O-N 3.36Å; K331-I333 VanDerWaalsContact C-N 3.34Å; K331-S334 PolarHBondContact O-N 2.72Å; K331-S334 PolarHBondContact O-OG 3.41Å; K331-I353 HydrophobicContact CG-CD1 4.19Å
332I98.6Very high98.5Very high1 Ų127.3 Ų27.31%0.00515%0.148CC..Hα-helixtrans-60.5-47173.4-61.4168.1000109.7V289 M292 L296 A300 Y303 A304 P328 T329 S334 R335 E336V289-I332 HydrophobicContact CG1-CD1 4.14Å; V289-I332 HydrophobicContact CG1-CG1 4.08Å; V289-I332 HydrophobicContact CG1-CG2 4.05Å; M292-I332 HydrophobicContact CE-CG1 3.9Å; M292-I332 HydrophobicContact SD-CG1 4Å; L296-I332 HydrophobicContact CD2-CD1 3.85Å; A300-I332 HydrophobicContact CB-CD1 3.93Å; Y303-I332 HydrophobicContact CD1-CB 4.24Å; Y303-I332 HydrophobicContact CD1-CG2 3.83Å; Y303-I332 HydrophobicContact CE1-CB 4.34Å; Y303-I332 HydrophobicContact CE1-CG2 3.73Å; A304-I332 HydrophobicContact CB-CD1 4.32Å; P328-I332 WeakPolarHBondContact O-CG1 3.5Å; P328-I332 PolarHBondContact O-N 3.36Å; P328-I332 VanDerWaalsContact O-N 3.08Å; T329-I332 PolarHBondContact O-N 2.86Å; T329-I332 VanDerWaalsContact O-N 3.14Å; I332-S334 PolarHBondContact O-N 2.9Å; I332-R335 VanDerWaalsContact O-CG 3.29Å; I332-R335 WeakPolarHBondContact O-CG 3.47Å; I332-E336 WeakPolarHBondContact O-CG 3.3Å
333I98.7Very high98.5Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-64-40.8-179.3-61.7167.5000111.3Y303 I319 T329 A330 K331 R335 E336 I341 L354 K357 Y362Y303-I333 HydrophobicContact CD1-CD1 4.46Å; Y303-I333 HydrophobicContact CD1-CG1 3.83Å; Y303-I333 HydrophobicContact CE1-CB 4.35Å; Y303-I333 HydrophobicContact CE1-CD1 4.25Å; Y303-I333 HydrophobicContact CE1-CG1 3.28Å; I319-I333 HydrophobicContact CD1-CB 4.37Å; I319-I333 HydrophobicContact CD1-CD1 3.77Å; I319-I333 HydrophobicContact CD1-CG1 3.7Å; I319-I333 HydrophobicContact CD1-CG2 3.74Å; T329-I333 HydrophobicContact CG2-CD1 3.95Å; T329-I333 WeakPolarHBondContact O-CG1 3.42Å; T329-I333 PolarHBondContact O-N 3.02Å; A330-I333 PolarHBondContact O-N 3Å; K331-I333 VanDerWaalsContact C-N 3.34Å; I333-R335 PolarHBondContact O-N 2.94Å; I333-R335 VanDerWaalsContact O-N 3.16Å; I333-E336 PolarHBondContact O-N 2.68Å; I333-I341 HydrophobicContact CD1-CD1 3.57Å; I333-L354 HydrophobicContact CB-CD2 3.77Å; I333-L354 HydrophobicContact CD1-CD2 4.02Å; I333-L354 HydrophobicContact CG2-CD2 3.58Å; I333-K357 HydrophobicContact CG2-CD 3.97Å; I333-K357 WeakPolarHBondContact O-CE 3.44Å; I333-K357 PolarHBondContact O-NZ 3.38Å; I333-Y362 HydrophobicContact CG2-CE1 4.33Å
334S98.3Very high98.5Very high52 Ų5225.3 Ų25.336%0.36414%0.138SC..Hα-helixtrans-56-38.2-172.6740000113.5A330 K331 I332 K357A330-S334 WeakPolarHBondContact O-CB 3.41Å; A330-S334 PolarHBondContact O-N 2.65Å; K331-S334 PolarHBondContact O-N 2.72Å; K331-S334 PolarHBondContact O-OG 3.41Å; I332-S334 PolarHBondContact O-N 2.9Å; S334-K357 PolarHBondContact O-NZ 2.91Å
335R96Very high98.5Very high71 Ų7122 Ų2227%0.26812%0.119SC..THydrogen-bonded Turntrans-88.94-178.564.1-171-177.3170.65.4115.3M288 D291 M292 I332 I333 R483M288-R335 PolarHBondContact O-NH2 2.92Å; D291-R335 VanDerWaalsContact CG-NH1 3.32Å; D291-R335 IonicContact OD1-CZ 2.8Å; D291-R335 IonicContact OD1-NH1 2.67Å; D291-R335 PolarHBondContact OD1-NH1 2.64Å; D291-R335 IonicContact OD1-NH2 3.63Å; D291-R335 PolarHBondContact OD1-NH2 2.78Å; D291-R335 IonicContact OD2-CZ 2.91Å; D291-R335 IonicContact OD2-NH1 2.77Å; D291-R335 PolarHBondContact OD2-NH1 2.83Å; D291-R335 IonicContact OD2-NH2 3.46Å; M292-R335 PolarHBondContact SD-NH2 3.29Å; I332-R335 VanDerWaalsContact O-CG 3.29Å; I332-R335 WeakPolarHBondContact O-CG 3.47Å; I333-R335 PolarHBondContact O-N 2.94Å; I333-R335 VanDerWaalsContact O-N 3.16Å; R335-R483 VanDerWaalsContact NE-CZ 3.35Å; R335-R483 VanDerWaalsContact NH1-NH1 3.18Å
336E96.6Very high98.5Very high15 Ų1523.5 Ų23.57%0.0713%0.125CC..SBendtrans-114.4154.8-177.2-64.3-67.6166.800111.8R307 R311 I332 I333 S338 K357 R483R307-E336 IonicContact CZ-OE2 2.71Å; R307-E336 IonicContact NE-OE2 2.63Å; R307-E336 PolarHBondContact NE-OE2 2.81Å; R307-E336 IonicContact NH2-OE2 3.2Å; R311-E336 IonicContact CZ-OE1 3.73Å; R311-E336 IonicContact CZ-OE2 2.64Å; R311-E336 IonicContact NH1-OE1 3.97Å; R311-E336 PolarHBondContact NH1-OE1 2.7Å; R311-E336 IonicContact NH1-OE2 3.79Å; R311-E336 IonicContact NH2-OE1 3.91Å; R311-E336 PolarHBondContact NH2-OE1 3.02Å; R311-E336 IonicContact NH2-OE2 2.72Å; R311-E336 PolarHBondContact NH2-OE2 2.87Å; I332-E336 WeakPolarHBondContact O-CG 3.3Å; I333-E336 PolarHBondContact O-N 2.68Å; E336-S338 PolarHBondContact O-N 3.46Å; E336-K357 PolarHBondContact O-NZ 3.4Å; E336-R483 IonicContact OE1-CZ 2.93Å; E336-R483 IonicContact OE1-NE 3.53Å; E336-R483 PolarHBondContact OE1-NE 3.16Å; E336-R483 IonicContact OE1-NH2 3.6Å; E336-R483 PolarHBondContact OE1-NH2 2.74Å
337V97.1Very high98.5Very high60 Ų6027 Ų2736%0.36414%0.14SC..  trans-82.2117.2172.4-177.30000109.3R307 F315 G316R307-V337 PolarHBondContact NH2-O 3.48Å; F315-V337 HydrophobicContact CD1-CG1 4.29Å; F315-V337 HydrophobicContact CD2-CB 3.96Å; F315-V337 HydrophobicContact CD2-CG1 4.27Å; F315-V337 HydrophobicContact CD2-CG2 4.26Å; F315-V337 HydrophobicContact CE1-CG1 3.93Å; F315-V337 HydrophobicContact CE2-CB 3.74Å; F315-V337 HydrophobicContact CE2-CG1 3.92Å; F315-V337 HydrophobicContact CE2-CG2 3.62Å; F315-V337 HydrophobicContact CG-CG1 4.46Å; F315-V337 HydrophobicContact CZ-CB 4.1Å; F315-V337 HydrophobicContact CZ-CG1 3.73Å; F315-V337 HydrophobicContact CZ-CG2 4.04Å; G316-V337 PolarHBondContact N-O 3.39Å
338S98.4Very high98.4Very high1 Ų131.9 Ų31.91%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-144.5152.4-177.7177.90000110.3D317 I319 E336 G340 K358 Y362D317-S338 PolarHBondContact O-OG 3.47Å; D317-S338 WeakPolarHBondContact OD1-CA 3.29Å; D317-S338 WeakPolarHBondContact OD1-CB 3.5Å; D317-S338 PolarHBondContact OD1-OG 3.28Å; I319-S338 WeakPolarHBondContact CD1-OG 3.41Å; E336-S338 PolarHBondContact O-N 3.46Å; S338-G340 PolarHBondContact OG-O 3.04Å; S338-K358 VanDerWaalsContact O-CE 3.28Å; S338-K358 WeakPolarHBondContact O-CE 3.41Å; S338-K358 PolarHBondContact O-NZ 2.93Å; S338-Y362 WeakPolarHBondContact CB-OH 3.33Å; S338-Y362 WeakPolarHBondContact O-CE2 3.13Å; S338-Y362 PolarHBondContact OG-OH 2.84Å
339D98.6Very high98.4Very high58 Ų5835.4 Ų35.431%0.3118%0.176SC..EExtended strand (participates in β ladder)trans-92.7-33.9179.7-77.4-5.2000114.2D317 K358D317-D339 PolarHBondContact O-N 3.11Å; D339-K358 VanDerWaalsContact CA-NZ 3.34Å; D339-K358 IonicContact OD1-NZ 3.08Å; D339-K358 PolarHBondContact OD1-NZ 2.9Å
340G98.8Very high98.4Very high0 Ų035.4 Ų35.40%018%0.176CC..EExtended strand (participates in β ladder)trans-179.5-178.4174.100000113D317 I319 S338 Y362 C363D317-G340 PolarHBondContact O-N 3.38Å; I319-G340 PolarHBondContact N-O 3.49Å; S338-G340 PolarHBondContact OG-O 3.04Å; G340-Y362 VanDerWaalsContact C-OH 3.28Å; G340-Y362 VanDerWaalsContact CA-CE2 3.49Å; G340-Y362 PolarHBondContact O-OH 2.94Å; G340-C363 CarbonylContact C-O 3.58Å; G340-C363 WeakPolarHBondContact CA-O 3.28Å
341I98.9Very high98.4Very high0 Ų037.9 Ų37.90%019%0.189CC..EExtended strand (participates in β ladder)trans-142.4144.6-179.8179.7164.5000110.9I319 L321 I333 Y346 L354 Y362 C363 V364 L365I319-I341 HydrophobicContact CB-CB 4.12Å; I319-I341 HydrophobicContact CB-CD1 4.41Å; I319-I341 HydrophobicContact CB-CG1 4.06Å; I319-I341 HydrophobicContact CG2-CD1 4.18Å; I319-I341 HydrophobicContact CG2-CG1 4.22Å; I319-I341 CarbonylContact O-C 3.59Å; I319-I341 VanDerWaalsContact O-CA 3.27Å; I319-I341 WeakPolarHBondContact O-CA 3.43Å; L321-I341 HydrophobicContact CD1-CD1 3.55Å; L321-I341 HydrophobicContact CG-CD1 3.98Å; I333-I341 HydrophobicContact CD1-CD1 3.57Å; I341-Y346 HydrophobicContact CD1-CE1 4.09Å; I341-Y346 HydrophobicContact CG1-CE1 4.24Å; I341-Y346 HydrophobicContact CG2-CE1 4.11Å; I341-Y346 PolarHBondContact O-OH 2.89Å; I341-L354 HydrophobicContact CD1-CD1 4.42Å; I341-L354 HydrophobicContact CG2-CD1 4.34Å; I341-Y362 HydrophobicContact CB-CE1 4.41Å; I341-Y362 HydrophobicContact CG2-CE1 3.73Å; I341-C363 PolarHBondContact N-O 3.26Å; I341-V364 HydrophobicContact CG2-CB 4.27Å; I341-V364 HydrophobicContact CG2-CG1 4.04Å; I341-V364 HydrophobicContact CG2-CG2 4.03Å; I341-L365 WeakPolarHBondContact O-CB 3.37Å; I341-L365 PolarHBondContact O-N 3.07Å
342I98.9Very high98.4Very high0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-124.6135.8167-172.1171.9000110.8L228 A243 W247 F318 I319 A320 L321 L365 M367L228-I342 HydrophobicContact CD1-CD1 3.69Å; L228-I342 HydrophobicContact CD1-CG1 4.33Å; A243-I342 HydrophobicContact CB-CB 4.44Å; A243-I342 HydrophobicContact CB-CD1 4.31Å; A243-I342 HydrophobicContact CB-CG2 4.23Å; W247-I342 HydrophobicContact CB-CD1 4.06Å; W247-I342 HydrophobicContact CB-CG2 4.39Å; W247-I342 HydrophobicContact CE3-CG1 4.48Å; W247-I342 HydrophobicContact CG-CD1 4.37Å; F318-I342 HydrophobicContact CE1-CB 4.03Å; F318-I342 HydrophobicContact CE1-CG2 4.03Å; I319-I342 WeakPolarHBondContact O-CG2 3.32Å; I319-I342 PolarHBondContact O-N 3.48Å; A320-I342 VanDerWaalsContact CA-O 3.29Å; A320-I342 WeakPolarHBondContact CA-O 3.3Å; A320-I342 HydrophobicContact CB-CG2 3.47Å; A320-I342 VanDerWaalsContact CB-CG2 3.47Å; L321-I342 PolarHBondContact N-O 3.17Å; I342-L365 WeakPolarHBondContact CA-O 3.38Å; I342-L365 HydrophobicContact CB-CB 4.1Å; I342-L365 HydrophobicContact CG1-CB 4.08Å; I342-M367 HydrophobicContact CD1-CB 3.79Å; I342-M367 HydrophobicContact CD1-CE 3.75Å; I342-M367 HydrophobicContact CD1-CG 4.38Å; I342-M367 HydrophobicContact CG1-CB 3.91Å
343A98.9Very high98.4Very high0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-152.4163.6179.900000109.9L321 G345 Y346 L365 Q366 M367L321-A343 HydrophobicContact CB-CB 4.05Å; L321-A343 HydrophobicContact CD1-CB 4.49Å; A343-G345 PolarHBondContact O-N 2.72Å; A343-Y346 HydrophobicContact CB-CE1 4.01Å; A343-Y346 HydrophobicContact CB-CE2 4.16Å; A343-Y346 PolarHBondContact N-OH 3.34Å; A343-L365 PolarHBondContact N-O 2.99Å; A343-Q366 CarbonylContact O-C 3.54Å; A343-Q366 WeakPolarHBondContact O-CA 3.12Å; A343-M367 PolarHBondContact O-N 2.99Å
344P98.9Very high98.5Very high23 Ų2338.7 Ų38.715%0.14919%0.194CC..SBendtrans-67.6-20.9173.630.1-36.3000112.9W247 L321 D323 Q366 M367 P369W247-P344 HydrophobicContact CH2-CB 4.12Å; W247-P344 HydrophobicContact CH2-CG 4.49Å; L321-P344 WeakPolarHBondContact O-CD 3.39Å; D323-P344 VanDerWaalsContact C-CG 3.49Å; D323-P344 WeakPolarHBondContact O-CD 3.47Å; P344-Q366 WeakPolarHBondContact O-CG 3.46Å; P344-Q366 PolarHBondContact O-NE2 3.25Å; P344-M367 WeakPolarHBondContact CA-O 3.26Å; P344-P369 HydrophobicContact CB-CB 4.3Å; P344-P369 HydrophobicContact CB-CG 4.35Å
345G98.8Very high98.5Very high8 Ų837.5 Ų37.58%0.08219%0.185CC..  trans-178177.8178.700000111.8V324 C325 A343V324-G345 WeakPolarHBondContact CA-O 3.47Å; C325-G345 PolarHBondContact N-O 3.19Å; A343-G345 PolarHBondContact O-N 2.72Å
346Y98.9Very high98.6Very high30 Ų3043.3 Ų43.312%0.11821%0.207CC..BIsolated β-bridgetrans-138.7137.5-178.9-58.6-94000109.6C325 I341 A343 L354 V364 L365 Q366C325-Y346 HydrophobicContact CB-CD1 3.41Å; C325-Y346 VanDerWaalsContact CB-CD1 3.41Å; C325-Y346 HydrophobicContact CB-CE1 3.86Å; C325-Y346 HydrophobicContact CB-CG 4.24Å; I341-Y346 HydrophobicContact CD1-CE1 4.09Å; I341-Y346 HydrophobicContact CG1-CE1 4.24Å; I341-Y346 HydrophobicContact CG2-CE1 4.11Å; I341-Y346 PolarHBondContact O-OH 2.89Å; A343-Y346 HydrophobicContact CB-CE1 4.01Å; A343-Y346 HydrophobicContact CB-CE2 4.16Å; A343-Y346 PolarHBondContact N-OH 3.34Å; Y346-L354 HydrophobicContact CD1-CD1 3.74Å; Y346-L354 HydrophobicContact CE1-CD1 3.81Å; Y346-V364 HydrophobicContact CD1-CG1 4.22Å; Y346-V364 HydrophobicContact CD2-CG1 4.18Å; Y346-V364 HydrophobicContact CE1-CG1 3.66Å; Y346-V364 HydrophobicContact CE2-CG1 3.62Å; Y346-V364 HydrophobicContact CG-CG1 4.48Å; Y346-L365 WeakPolarHBondContact CE2-O 3.47Å; Y346-L365 PolarHBondContact OH-O 2.83Å; Y346-Q366 HydrophobicContact CE2-CB 4.31Å
347E98.9Very high98.7Very high91 Ų9143.8 Ų43.843%0.42521%0.209SC..  trans-61149.3162.3-67.9-179.9168.900109.7V324 C325 D326 V327 E349 A350 L351V324-E347 HydrophobicContact CG1-CG 4.25Å; C325-E347 PolarHBondContact O-N 3.13Å; D326-E347 WeakPolarHBondContact CA-OE2 3.26Å; V327-E347 PolarHBondContact N-OE2 2.58Å; E347-E349 VanDerWaalsContact C-N 3.32Å; E347-E349 PolarHBondContact O-N 3.3Å; E347-A350 HydrophobicContact CB-CB 3.96Å; E347-A350 WeakPolarHBondContact O-CB 3.29Å; E347-A350 PolarHBondContact O-N 3Å; E347-A350 VanDerWaalsContact O-N 3.13Å; E347-L351 PolarHBondContact O-N 2.54Å
348E98.7Very high98.7Very high138 Ų13845.5 Ų45.565%0.64521%0.211SC*.Hα-helixtrans-58.1-44.9-176.2-166.9-171.1150.600112L351 K352E348-L351 PolarHBondContact O-N 2.83Å; E348-K352 WeakPolarHBondContact O-CG 3.37Å; E348-K352 PolarHBondContact O-N 3.18Å; E348-K352 VanDerWaalsContact OE1-CE 3.26Å; E348-K352 WeakPolarHBondContact OE1-CE 3.44Å; E348-K352 IonicContact OE1-NZ 3.73Å; E348-K352 PolarHBondContact OE1-NZ 3.21Å
349E98.7Very high98.6Very high97 Ų9753 Ų5345%0.45325%0.252SS..Hα-helixtrans-70-35.4177.9-67.1-53.6125.700112.6V327 E347 K352 I353V327-E349 HydrophobicContact CG2-CB 3.69Å; E347-E349 VanDerWaalsContact C-N 3.32Å; E347-E349 PolarHBondContact O-N 3.3Å; E349-K352 PolarHBondContact O-N 3.08Å; E349-K352 WeakPolarHBondContact OE1-CD 3.33Å; E349-K352 IonicContact OE1-NZ 3.57Å; E349-K352 PolarHBondContact OE1-NZ 3.19Å; E349-I353 VanDerWaalsContact O-CG1 3.28Å; E349-I353 WeakPolarHBondContact O-CG1 3.39Å; E349-I353 PolarHBondContact O-N 3.2Å
350A98.9Very high98.6Very high0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-61.9-45.6173.600000110.9C325 A330 E347 K352 I353 L354C325-A350 VanDerWaalsContact O-CB 3.23Å; C325-A350 WeakPolarHBondContact O-CB 3.4Å; A330-A350 HydrophobicContact CB-CB 3.78Å; E347-A350 HydrophobicContact CB-CB 3.96Å; E347-A350 WeakPolarHBondContact O-CB 3.29Å; E347-A350 PolarHBondContact O-N 3Å; E347-A350 VanDerWaalsContact O-N 3.13Å; A350-K352 PolarHBondContact O-N 2.85Å; A350-I353 PolarHBondContact O-N 3.17Å; A350-L354 VanDerWaalsContact O-CG 3.27Å; A350-L354 WeakPolarHBondContact O-CG 3.45Å; A350-L354 PolarHBondContact O-N 2.83Å
351L98.8Very high98.5Very high52 Ų5257.2 Ų57.227%0.27228%0.281SS..Hα-helixtrans-62-42176.6-177.560.3000111.9A231 E347 E348 I353 L354 S355 V364A231-L351 HydrophobicContact CB-CD1 4.26Å; E347-L351 PolarHBondContact O-N 2.54Å; E348-L351 PolarHBondContact O-N 2.83Å; L351-I353 VanDerWaalsContact C-N 3.33Å; L351-I353 PolarHBondContact O-N 2.96Å; L351-L354 PolarHBondContact O-N 2.97Å; L351-S355 VanDerWaalsContact O-CB 3.29Å; L351-S355 WeakPolarHBondContact O-CB 3.32Å; L351-S355 PolarHBondContact O-N 2.95Å; L351-S355 PolarHBondContact O-OG 3.4Å; L351-V364 HydrophobicContact CD1-CB 4.5Å; L351-V364 HydrophobicContact CD1-CG1 3.85Å
352K98.8Very high98.5Very high81 Ų8157.2 Ų57.235%0.35228%0.281SS..Hα-helixtrans-60.1-41.3175-73.7170.5-171.7163.40112.1E348 E349 A350 R356E348-K352 WeakPolarHBondContact O-CG 3.37Å; E348-K352 PolarHBondContact O-N 3.18Å; E348-K352 VanDerWaalsContact OE1-CE 3.26Å; E348-K352 WeakPolarHBondContact OE1-CE 3.44Å; E348-K352 IonicContact OE1-NZ 3.73Å; E348-K352 PolarHBondContact OE1-NZ 3.21Å; E349-K352 PolarHBondContact O-N 3.08Å; E349-K352 WeakPolarHBondContact OE1-CD 3.33Å; E349-K352 IonicContact OE1-NZ 3.57Å; E349-K352 PolarHBondContact OE1-NZ 3.19Å; A350-K352 PolarHBondContact O-N 2.85Å; K352-R356 WeakPolarHBondContact O-CG 3.41Å
353I98.8Very high98.5Very high36 Ų3657.4 Ų57.419%0.18528%0.283CS..Hα-helixtrans-64.8-49.7176.9-69.7164.5000110.5V327 A330 K331 E349 A350 L351 R356V327-I353 HydrophobicContact CG1-CD1 4.05Å; A330-I353 HydrophobicContact CB-CB 4.19Å; A330-I353 HydrophobicContact CB-CD1 4.42Å; A330-I353 HydrophobicContact CB-CG2 4.07Å; K331-I353 HydrophobicContact CG-CD1 4.19Å; E349-I353 VanDerWaalsContact O-CG1 3.28Å; E349-I353 WeakPolarHBondContact O-CG1 3.39Å; E349-I353 PolarHBondContact O-N 3.2Å; A350-I353 PolarHBondContact O-N 3.17Å; L351-I353 VanDerWaalsContact C-N 3.33Å; L351-I353 PolarHBondContact O-N 2.96Å; I353-R356 PolarHBondContact O-N 3.39Å
354L98.9Very high98.5Very high0 Ų057.4 Ų57.40%028%0.283CS..Hα-helixtrans-65.3-41.9-176.2-67.9171.1000112.2A330 I333 I341 Y346 A350 L351 R356 K357 Y362 V364A330-L354 HydrophobicContact CB-CD1 4.37Å; A330-L354 HydrophobicContact CB-CD2 4.17Å; A330-L354 HydrophobicContact CB-CG 3.96Å; I333-L354 HydrophobicContact CB-CD2 3.77Å; I333-L354 HydrophobicContact CD1-CD2 4.02Å; I333-L354 HydrophobicContact CG2-CD2 3.58Å; I341-L354 HydrophobicContact CD1-CD1 4.42Å; I341-L354 HydrophobicContact CG2-CD1 4.34Å; Y346-L354 HydrophobicContact CD1-CD1 3.74Å; Y346-L354 HydrophobicContact CE1-CD1 3.81Å; A350-L354 VanDerWaalsContact O-CG 3.27Å; A350-L354 WeakPolarHBondContact O-CG 3.45Å; A350-L354 PolarHBondContact O-N 2.83Å; L351-L354 PolarHBondContact O-N 2.97Å; L354-R356 PolarHBondContact O-N 2.82Å; L354-R356 VanDerWaalsContact O-N 3.16Å; L354-K357 HydrophobicContact CD2-CD 4.44Å; L354-K357 WeakPolarHBondContact O-CB 3.44Å; L354-K357 WeakPolarHBondContact O-CG 3.46Å; L354-K357 PolarHBondContact O-N 3.32Å; L354-Y362 HydrophobicContact CB-CD1 4.39Å; L354-Y362 HydrophobicContact CD2-CE1 4.18Å; L354-V364 HydrophobicContact CB-CG2 4.23Å
355S98.5Very high98.5Very high26 Ų2656.3 Ų56.318%0.18228%0.275CS..Hα-helixtrans-64-23.1-176.1-57.10000112.9L351 K357 G360L351-S355 VanDerWaalsContact O-CB 3.29Å; L351-S355 WeakPolarHBondContact O-CB 3.32Å; L351-S355 PolarHBondContact O-N 2.95Å; L351-S355 PolarHBondContact O-OG 3.4Å; S355-K357 VanDerWaalsContact C-N 3.3Å; S355-K357 PolarHBondContact O-N 2.97Å; S355-G360 CarbonylContact O-C 3.59Å; S355-G360 WeakPolarHBondContact O-CA 3.2Å
356R98.4Very high98.5Very high194 Ų19459.7 Ų59.773%0.73229%0.289SS*.THydrogen-bonded Turntrans-72.2-21.9176.3-68.6172.7-173.1179.23.4113.5K352 I353 L354 G360K352-R356 WeakPolarHBondContact O-CG 3.41Å; I353-R356 PolarHBondContact O-N 3.39Å; L354-R356 PolarHBondContact O-N 2.82Å; L354-R356 VanDerWaalsContact O-N 3.16Å; R356-G360 PolarHBondContact O-N 2.83Å
357K98.4Very high98.5Very high24 Ų2458.5 Ų58.510%0.10428%0.284CS..G310 helixtrans-62.3152.7-179-65.6178.268.9650110.7I333 S334 E336 L354 S355 N359 G360 N361 Y362I333-K357 HydrophobicContact CG2-CD 3.97Å; I333-K357 WeakPolarHBondContact O-CE 3.44Å; I333-K357 PolarHBondContact O-NZ 3.38Å; S334-K357 PolarHBondContact O-NZ 2.91Å; E336-K357 PolarHBondContact O-NZ 3.4Å; L354-K357 HydrophobicContact CD2-CD 4.44Å; L354-K357 WeakPolarHBondContact O-CB 3.44Å; L354-K357 WeakPolarHBondContact O-CG 3.46Å; L354-K357 PolarHBondContact O-N 3.32Å; S355-K357 VanDerWaalsContact C-N 3.3Å; S355-K357 PolarHBondContact O-N 2.97Å; K357-N359 PolarHBondContact O-N 3.25Å; K357-G360 PolarHBondContact O-N 2.79Å; K357-N361 PolarHBondContact O-N 2.83Å; K357-Y362 HydrophobicContact CB-CD1 4.16Å; K357-Y362 HydrophobicContact CB-CD2 4.18Å; K357-Y362 HydrophobicContact CB-CG 3.72Å; K357-Y362 HydrophobicContact CD-CD1 3.88Å; K357-Y362 HydrophobicContact CD-CD2 4.34Å; K357-Y362 HydrophobicContact CD-CE1 3.93Å; K357-Y362 HydrophobicContact CD-CE2 4.39Å; K357-Y362 HydrophobicContact CD-CG 4.09Å; K357-Y362 WeakPolarHBondContact O-CB 3.26Å; K357-Y362 PolarHBondContact O-N 2.86Å
358K97Very high98.5Very high97 Ų9757.6 Ų57.642%0.42228%0.283SS..G310 helixtrans50.245-179.3-69.3-174158.7158.60112.5S338 D339 G360 N361 Y362S338-K358 VanDerWaalsContact O-CE 3.28Å; S338-K358 WeakPolarHBondContact O-CE 3.41Å; S338-K358 PolarHBondContact O-NZ 2.93Å; D339-K358 VanDerWaalsContact CA-NZ 3.34Å; D339-K358 IonicContact OD1-NZ 3.08Å; D339-K358 PolarHBondContact OD1-NZ 2.9Å; K358-G360 VanDerWaalsContact C-N 3.29Å; K358-G360 PolarHBondContact O-N 3.05Å; K358-N361 WeakPolarHBondContact O-CB 3.25Å; K358-N361 PolarHBondContact O-N 2.85Å; K358-Y362 HydrophobicContact CD-CD2 4.31Å
359N97.3Very high98.5Very high159 Ų15954 Ų5485%0.8527%0.271SS*.G310 helixtrans53.544178.9-54.5-32.1000112.7K357 N361K357-N359 PolarHBondContact O-N 3.25Å; N359-N361 PolarHBondContact O-ND2 3.03Å
360G97.8Very high98.5Very high31 Ų3156.1 Ų56.132%0.3229%0.286SS..G310 helixtrans91.4-12.9-178.100000115N232 S355 R356 K357 K358N232-G360 PolarHBondContact ND2-O 3.16Å; S355-G360 CarbonylContact O-C 3.59Å; S355-G360 WeakPolarHBondContact O-CA 3.2Å; R356-G360 PolarHBondContact O-N 2.83Å; K357-G360 PolarHBondContact O-N 2.79Å; K358-G360 VanDerWaalsContact C-N 3.29Å; K358-G360 PolarHBondContact O-N 3.05Å
361N98.2Very high98.5Very high115 Ų11558.9 Ų58.962%0.61530%0.297SS*.THydrogen-bonded Turntrans-104.614.3-168.2-62.7-63.9000114.5K357 K358 N359 C363K357-N361 PolarHBondContact O-N 2.83Å; K358-N361 WeakPolarHBondContact O-CB 3.25Å; K358-N361 PolarHBondContact O-N 2.85Å; N359-N361 PolarHBondContact O-ND2 3.03Å; N361-C363 PolarHBondContact O-N 3.34Å
362Y98.8Very high98.4Very high0 Ų061.1 Ų61.10%031%0.305CS..  trans-65.2130.6176.4-175.6-117.2000111N232 I333 S338 G340 I341 L354 K357 K358 V364N232-Y362 CarbonylContact C-O 3.5Å; N232-Y362 PolarHBondContact ND2-O 2.78Å; I333-Y362 HydrophobicContact CG2-CE1 4.33Å; S338-Y362 WeakPolarHBondContact CB-OH 3.33Å; S338-Y362 WeakPolarHBondContact O-CE2 3.13Å; S338-Y362 PolarHBondContact OG-OH 2.84Å; G340-Y362 VanDerWaalsContact C-OH 3.28Å; G340-Y362 VanDerWaalsContact CA-CE2 3.49Å; G340-Y362 PolarHBondContact O-OH 2.94Å; I341-Y362 HydrophobicContact CB-CE1 4.41Å; I341-Y362 HydrophobicContact CG2-CE1 3.73Å; L354-Y362 HydrophobicContact CB-CD1 4.39Å; L354-Y362 HydrophobicContact CD2-CE1 4.18Å; K357-Y362 HydrophobicContact CB-CD1 4.16Å; K357-Y362 HydrophobicContact CB-CD2 4.18Å; K357-Y362 HydrophobicContact CB-CG 3.72Å; K357-Y362 HydrophobicContact CD-CD1 3.88Å; K357-Y362 HydrophobicContact CD-CD2 4.34Å; K357-Y362 HydrophobicContact CD-CE1 3.93Å; K357-Y362 HydrophobicContact CD-CE2 4.39Å; K357-Y362 HydrophobicContact CD-CG 4.09Å; K357-Y362 WeakPolarHBondContact O-CB 3.26Å; K357-Y362 PolarHBondContact O-N 2.86Å; K358-Y362 HydrophobicContact CD-CD2 4.31Å; Y362-V364 HydrophobicContact CD1-CG2 3.85Å; Y362-V364 HydrophobicContact CE1-CG2 4.35Å; Y362-V364 PolarHBondContact O-N 3.21Å
363C98.8Very high98.4Very high4 Ų459 Ų593%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-74.1116-176.3-175.80000110G340 I341 N361G340-C363 CarbonylContact C-O 3.58Å; G340-C363 WeakPolarHBondContact CA-O 3.28Å; I341-C363 PolarHBondContact N-O 3.26Å; N361-C363 PolarHBondContact O-N 3.34Å
364V98.9Very high98.4Very high0 Ų062.1 Ų62.10%032%0.317CS..EExtended strand (participates in β ladder)trans-121.5117.1177.4-175.50000108.3A231 N232 I341 Y346 L351 L354 Y362A231-V364 HydrophobicContact CB-CB 4.3Å; A231-V364 HydrophobicContact CB-CG1 4.02Å; A231-V364 PolarHBondContact N-O 3.43Å; N232-V364 HydrophobicContact CB-CB 3.93Å; N232-V364 HydrophobicContact CB-CG2 3.91Å; N232-V364 PolarHBondContact N-O 2.85Å; N232-V364 PolarHBondContact O-N 3.33Å; I341-V364 HydrophobicContact CG2-CB 4.27Å; I341-V364 HydrophobicContact CG2-CG1 4.04Å; I341-V364 HydrophobicContact CG2-CG2 4.03Å; Y346-V364 HydrophobicContact CD1-CG1 4.22Å; Y346-V364 HydrophobicContact CD2-CG1 4.18Å; Y346-V364 HydrophobicContact CE1-CG1 3.66Å; Y346-V364 HydrophobicContact CE2-CG1 3.62Å; Y346-V364 HydrophobicContact CG-CG1 4.48Å; L351-V364 HydrophobicContact CD1-CB 4.5Å; L351-V364 HydrophobicContact CD1-CG1 3.85Å; L354-V364 HydrophobicContact CB-CG2 4.23Å; Y362-V364 HydrophobicContact CD1-CG2 3.85Å; Y362-V364 HydrophobicContact CE1-CG2 4.35Å; Y362-V364 PolarHBondContact O-N 3.21Å
365L98.9Very high98.3Very high0 Ų067 Ų670%034%0.343CS..EExtended strand (participates in β ladder)trans-113.4136.8-177.1-57.8-179.6000110.5L228 K229 V230 P235 L240 A243 F318 I341 I342 A343 Y346L228-L365 HydrophobicContact CD1-CB 3.71Å; L228-L365 HydrophobicContact CD1-CD1 4.09Å; L228-L365 HydrophobicContact CD1-CG 4.33Å; L228-L365 HydrophobicContact CD2-CD1 4.13Å; L228-L365 HydrophobicContact CD2-CD2 4.44Å; K229-L365 CarbonylContact O-C 3.59Å; K229-L365 WeakPolarHBondContact O-CA 3.46Å; V230-L365 HydrophobicContact CB-CD2 4.48Å; V230-L365 HydrophobicContact CG2-CD2 3.96Å; P235-L365 HydrophobicContact CB-CD1 4.5Å; P235-L365 HydrophobicContact CB-CD2 4.31Å; P235-L365 HydrophobicContact CG-CD2 4.15Å; L240-L365 HydrophobicContact CD2-CD1 4.42Å; A243-L365 HydrophobicContact CB-CD1 4Å; F318-L365 HydrophobicContact CE1-CD1 4.25Å; F318-L365 HydrophobicContact CZ-CD1 3.59Å; F318-L365 HydrophobicContact CZ-CG 4.16Å; I341-L365 WeakPolarHBondContact O-CB 3.37Å; I341-L365 PolarHBondContact O-N 3.07Å; I342-L365 WeakPolarHBondContact CA-O 3.38Å; I342-L365 HydrophobicContact CB-CB 4.1Å; I342-L365 HydrophobicContact CG1-CB 4.08Å; A343-L365 PolarHBondContact N-O 2.99Å; Y346-L365 WeakPolarHBondContact CE2-O 3.47Å; Y346-L365 PolarHBondContact OH-O 2.83Å
366Q98.9Very high98.3Very high79 Ų7969.2 Ų69.237%0.36936%0.356SS..EExtended strand (participates in β ladder)trans-108.6128.5170.6-175.3177.5-22.400109.1L228 K229 A343 P344 Y346L228-Q366 CarbonylContact C-O 3.58Å; L228-Q366 WeakPolarHBondContact CA-O 3.26Å; K229-Q366 HydrophobicContact CB-CB 4.43Å; K229-Q366 PolarHBondContact N-O 2.89Å; K229-Q366 PolarHBondContact O-N 2.93Å; A343-Q366 CarbonylContact O-C 3.54Å; A343-Q366 WeakPolarHBondContact O-CA 3.12Å; P344-Q366 WeakPolarHBondContact O-CG 3.46Å; P344-Q366 PolarHBondContact O-NE2 3.25Å; Y346-Q366 HydrophobicContact CE2-CB 4.31Å
367M98.8Very high98.3Very high4 Ų464.2 Ų64.22%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-106.2138177.8-177.858.783.600110.5P227 L228 L244 W247 I342 A343 P344 P369P227-M367 HydrophobicContact CB-SD 3.87Å; P227-M367 HydrophobicContact CG-SD 4.03Å; P227-M367 CarbonylContact O-C 3.51Å; L228-M367 HydrophobicContact CB-CE 4.45Å; L228-M367 HydrophobicContact CD1-CE 4.04Å; L244-M367 HydrophobicContact CD2-CE 3.69Å; W247-M367 HydrophobicContact CD2-CB 4.04Å; W247-M367 HydrophobicContact CD2-CG 3.71Å; W247-M367 HydrophobicContact CE3-CB 4.19Å; W247-M367 HydrophobicContact CE3-CG 4.35Å; W247-M367 HydrophobicContact CG-CE 4.36Å; W247-M367 HydrophobicContact CG-CG 4.03Å; W247-M367 HydrophobicContact CH2-CB 4.41Å; W247-M367 HydrophobicContact CH2-CG 4.43Å; W247-M367 HydrophobicContact CZ2-CB 4.27Å; W247-M367 HydrophobicContact CZ2-CG 3.81Å; W247-M367 HydrophobicContact CZ3-CB 4.36Å; I342-M367 HydrophobicContact CD1-CB 3.79Å; I342-M367 HydrophobicContact CD1-CE 3.75Å; I342-M367 HydrophobicContact CD1-CG 4.38Å; I342-M367 HydrophobicContact CG1-CB 3.91Å; A343-M367 PolarHBondContact O-N 2.99Å; P344-M367 WeakPolarHBondContact CA-O 3.26Å; M367-P369 WeakPolarHBondContact O-CD 3.47Å
368D98.8Very high98.3Very high73 Ų7367 Ų6739%0.3936%0.36SS..  trans-67.3114.5166.7-179.70.2000109.8P227 D370 Y371P227-D368 HydrophobicContact CB-CB 4.02Å; P227-D368 PolarHBondContact O-N 2.75Å; D368-D370 PolarHBondContact O-N 2.75Å; D368-D370 PolarHBondContact OD1-N 3.3Å; D368-Y371 PolarHBondContact O-N 3.38Å
369P98.4Very high98.3Very high61 Ų6167.3 Ų67.340%0.39636%0.358SS..THydrogen-bonded Turntrans-68.2-23-177.929.3-35.2000113.8W247 P344 M367 Y371W247-P369 HydrophobicContact CH2-CB 4.49Å; W247-P369 HydrophobicContact CZ2-CB 4.39Å; P344-P369 HydrophobicContact CB-CB 4.3Å; P344-P369 HydrophobicContact CB-CG 4.35Å; M367-P369 WeakPolarHBondContact O-CD 3.47Å; P369-Y371 VanDerWaalsContact C-N 3.34Å
370D98.2Very high98.4Very high142 Ų14264 Ų6476%0.75934%0.343SS*.THydrogen-bonded Turntrans-88.8-5.4-176.8-63.1-33.9000112.4D368 E372D368-D370 PolarHBondContact O-N 2.75Å; D368-D370 PolarHBondContact OD1-N 3.3Å; D370-E372 PolarHBondContact O-N 2.83Å
371Y98.5Very high98.4Very high59 Ų5966.5 Ų66.523%0.23135%0.349CS..  trans-67125.5177.3170.9-95.3000111.6P227 R251 D368 P369 P373P227-Y371 HydrophobicContact CB-CD1 4.04Å; P227-Y371 HydrophobicContact CB-CD2 3.55Å; P227-Y371 HydrophobicContact CB-CE2 4.22Å; P227-Y371 HydrophobicContact CB-CG 3.43Å; P227-Y371 VanDerWaalsContact CB-CG 3.43Å; P227-Y371 HydrophobicContact CG-CD1 3.86Å; P227-Y371 HydrophobicContact CG-CD2 3.66Å; P227-Y371 HydrophobicContact CG-CE1 4.02Å; P227-Y371 HydrophobicContact CG-CE2 3.81Å; P227-Y371 HydrophobicContact CG-CG 3.67Å; R251-Y371 PolarHBondContact NH1-O 2.71Å; D368-Y371 PolarHBondContact O-N 3.38Å; P369-Y371 VanDerWaalsContact C-N 3.34Å; Y371-P373 HydrophobicContact CE1-CB 4.04Å
372E98.1Very high98.4Very high98 Ų9871 Ų7146%0.45836%0.364SS..  trans-112132166.5-69.1-56.314400111.7R223 R251 D370R223-E372 PolarHBondContact NH1-O 2.92Å; R223-E372 PolarHBondContact NH2-O 3.28Å; R251-E372 IonicContact CZ-OE1 2.86Å; R251-E372 IonicContact CZ-OE2 3.53Å; R251-E372 IonicContact NH1-OE1 3.63Å; R251-E372 PolarHBondContact NH1-OE1 3.1Å; R251-E372 IonicContact NH1-OE2 3.22Å; R251-E372 IonicContact NH2-OE1 3.74Å; R251-E372 PolarHBondContact NH2-OE1 3.17Å; R251-E372 VanDerWaalsContact NH2-OE1 3.08Å; R251-E372 IonicContact NH2-OE2 2.84Å; R251-E372 PolarHBondContact NH2-OE2 3.37Å; D370-E372 PolarHBondContact O-N 2.83Å
373P97.9Very high98.3Very high36 Ų3673.9 Ų73.923%0.23439%0.393CS..  trans-73.6160.6176.932.6-35.6000111.8Y371Y371-P373 HydrophobicContact CE1-CB 4.04Å
374D98Very high98.3Very high102 Ų10279.4 Ų79.455%0.54542%0.422SS..  trans-66.1152173.9-60.6-18.1000110.9R223 T376 R390R223-D374 IonicContact CZ-OD1 3.72Å; R223-D374 IonicContact NE-OD1 2.93Å; R223-D374 IonicContact NH2-OD1 3.43Å; R223-D374 PolarHBondContact NH2-OD1 3.29Å; D374-T376 PolarHBondContact O-N 3.24Å; D374-T376 VanDerWaalsContact O-N 3.16Å; D374-R390 VanDerWaalsContact O-CD 3.29Å; D374-R390 WeakPolarHBondContact O-CD 3.38Å
375N97.9Very high98.3Very high102 Ų10287 Ų8755%0.54545%0.452SS..SBendtrans-67.1-16.7-177.2-76.4-23.5000114.1K389 R390N375-K389 CarbonylContact O-C 3.55Å; N375-K389 VanDerWaalsContact O-CA 3.24Å; N375-K389 WeakPolarHBondContact O-CA 3.46Å; N375-K389 WeakPolarHBondContact O-CG 3.29Å; N375-R390 PolarHBondContact O-N 3.35Å
376T98.4Very high98.2Very high73 Ų7391.6 Ų91.645%0.44848%0.475SS..EExtended strand (participates in β ladder)trans-115.7135.9-174.3-61.30000110.2D374 K387 Q388D374-T376 PolarHBondContact O-N 3.24Å; D374-T376 VanDerWaalsContact O-N 3.16Å; T376-K387 HydrophobicContact CG2-CD 4.16Å; T376-K387 HydrophobicContact CG2-CG 3.72Å; T376-Q388 WeakPolarHBondContact CA-O 3.27Å
377E98.2Very high98.2Very high90 Ų9095.3 Ų95.342%0.42149%0.49SS..EExtended strand (participates in β ladder)trans-122.6152.4173.464.1-172.3-158.200110.6K387 Q388E377-K387 WeakPolarHBondContact O-CA 3.41Å; E377-Q388 HydrophobicContact CG-CG 3.72Å; E377-Q388 PolarHBondContact N-O 3.47Å; E377-Q388 PolarHBondContact O-N 3.33Å; E377-Q388 PolarHBondContact OE1-NE2 3.35Å
378V98.5Very high98.2Very high83 Ų83100.5 Ų100.550%0.50352%0.515SS..EExtended strand (participates in β ladder)trans-130.9133.4178-178.90000108.4Y385 L386 K387V378-Y385 HydrophobicContact CG1-CD1 3.75Å; V378-Y385 HydrophobicContact CG1-CG 4.47Å; V378-L386 CarbonylContact C-O 3.57Å; V378-L386 VanDerWaalsContact CA-O 3.3Å; V378-L386 WeakPolarHBondContact CA-O 3.5Å; V378-K387 HydrophobicContact CG2-CB 4.07Å; V378-K387 HydrophobicContact CG2-CD 4.26Å; V378-K387 HydrophobicContact CG2-CG 3.87Å
379R97.9Very high98.2Very high103 Ų103102.9 Ų102.939%0.38952%0.521SS..EExtended strand (participates in β ladder)trans-124.2144.2170.770.2-172.2-52.31718.4110.4L381 L386 H591R379-L381 HydrophobicContact CG-CD1 3.95Å; R379-L386 HydrophobicContact CG-CB 3.89Å; R379-L386 PolarHBondContact N-O 3.29Å; R379-L386 PolarHBondContact O-N 2.75Å; R379-H591 PolarHBondContact NH1-O 3.16Å; R379-H591 PolarHBondContact NH1-OXT 2.88Å; R379-H591 PolarHBondContact NH2-O 2.89Å; R379-H591 PolarHBondContact NH2-OXT 2.9Å
380V98.3Very high98.2Very high88 Ų88101.2 Ų101.253%0.53351%0.507SS..EExtended strand (participates in β ladder)trans-98.6123.6176.3-177.50000109.2L384 Y385V380-L384 CarbonylContact C-O 3.56Å; V380-L384 VanDerWaalsContact CA-O 3.31Å; V380-L384 WeakPolarHBondContact CA-O 3.37Å; V380-Y385 HydrophobicContact CG2-CD1 3.75Å; V380-Y385 HydrophobicContact CG2-CE1 3.64Å
381L98.4Very high98.2Very high84 Ų8497 Ų9744%0.4448%0.484SS..EExtended strand (participates in β ladder)trans-130.7119.9177.9-79.5152.9000108.5R379 G383 L384 L386R379-L381 HydrophobicContact CG-CD1 3.95Å; L381-G383 PolarHBondContact O-N 2.8Å; L381-L384 PolarHBondContact N-O 2.91Å; L381-L384 PolarHBondContact O-N 2.86Å; L381-L386 HydrophobicContact CD1-CD1 3.38Å; L381-L386 HydrophobicContact CD1-CG 4.06Å
382F98.1Very high98.2Very high211 Ų21196.8 Ų96.893%0.92549%0.488SS*.THydrogen-bonded Turntrans51.240.6-178.4-168-124.5000113.5L384F382-L384 PolarHBondContact O-N 3.3Å
383G97Very high98.2Very high60 Ų6093.1 Ų93.162%0.61947%0.474SS*.THydrogen-bonded Turntrans75.6-0.4-17900000115.2L381L381-G383 PolarHBondContact O-N 2.8Å
384L98.3Very high98.1Very high120 Ų12097.5 Ų97.563%0.62850%0.495SS*.EExtended strand (participates in β ladder)trans-103.2151.6176.4-55.5179.5000111V380 L381 F382V380-L384 CarbonylContact C-O 3.56Å; V380-L384 VanDerWaalsContact CA-O 3.31Å; V380-L384 WeakPolarHBondContact CA-O 3.37Å; L381-L384 PolarHBondContact N-O 2.91Å; L381-L384 PolarHBondContact O-N 2.86Å; F382-L384 PolarHBondContact O-N 3.3Å
385Y98.1Very high98.1Very high160 Ų16093 Ų9363%0.62747%0.47SS*.EExtended strand (participates in β ladder)trans-99.5120.5-178.4-63.2-98.1000110.5V378 V380V378-Y385 HydrophobicContact CG1-CD1 3.75Å; V378-Y385 HydrophobicContact CG1-CG 4.47Å; V380-Y385 HydrophobicContact CG2-CD1 3.75Å; V380-Y385 HydrophobicContact CG2-CE1 3.64Å
386L98.6Very high97.7Very high96 Ų9691.4 Ų91.450%0.50346%0.462SS..EExtended strand (participates in β ladder)trans-99.5123.6166.3-59.2-171.3000108.8V378 R379 L381V378-L386 CarbonylContact C-O 3.57Å; V378-L386 VanDerWaalsContact CA-O 3.3Å; V378-L386 WeakPolarHBondContact CA-O 3.5Å; R379-L386 HydrophobicContact CG-CB 3.89Å; R379-L386 PolarHBondContact N-O 3.29Å; R379-L386 PolarHBondContact O-N 2.75Å; L381-L386 HydrophobicContact CD1-CD1 3.38Å; L381-L386 HydrophobicContact CD1-CG 4.06Å
387K98.5Very high97.4Very high157 Ų15793.9 Ų93.968%0.68347%0.467SS*.EExtended strand (participates in β ladder)trans-120.3129.6-177.4-179.3176-174.2179.90109.9T376 E377 V378T376-K387 HydrophobicContact CG2-CD 4.16Å; T376-K387 HydrophobicContact CG2-CG 3.72Å; E377-K387 WeakPolarHBondContact O-CA 3.41Å; V378-K387 HydrophobicContact CG2-CB 4.07Å; V378-K387 HydrophobicContact CG2-CD 4.26Å; V378-K387 HydrophobicContact CG2-CG 3.87Å
388Q98.6Very high97.2Very high113 Ų11394.7 Ų94.753%0.52847%0.47SS..EExtended strand (participates in β ladder)trans-146.1166.2179.466.5179.830.200112.2T376 E377T376-Q388 WeakPolarHBondContact CA-O 3.27Å; E377-Q388 HydrophobicContact CG-CG 3.72Å; E377-Q388 PolarHBondContact N-O 3.47Å; E377-Q388 PolarHBondContact O-N 3.33Å; E377-Q388 PolarHBondContact OE1-NE2 3.35Å
389K98.6Very high97.1Very high123 Ų12392.5 Ų92.554%0.53545%0.454SS..EExtended strand (participates in β ladder)trans-70135.3162-170.4-160179.8-149.10108.1N375 D392N375-K389 CarbonylContact O-C 3.55Å; N375-K389 VanDerWaalsContact O-CA 3.24Å; N375-K389 WeakPolarHBondContact O-CA 3.46Å; N375-K389 WeakPolarHBondContact O-CG 3.29Å; K389-D392 WeakPolarHBondContact CE-OD2 3.44Å; K389-D392 IonicContact NZ-OD1 3.98Å; K389-D392 PolarHBondContact NZ-OD1 3.33Å; K389-D392 IonicContact NZ-OD2 2.81Å; K389-D392 PolarHBondContact NZ-OD2 3.02Å
390R98.4Very high97.1Very high25 Ų2587.8 Ų87.89%0.09444%0.436CS..  trans-63159173.469.8173.8-73.1-91.10.7111.5D374 N375 D392D374-R390 VanDerWaalsContact O-CD 3.29Å; D374-R390 WeakPolarHBondContact O-CD 3.38Å; N375-R390 PolarHBondContact O-N 3.35Å; R390-D392 PolarHBondContact O-N 3.35Å; R390-D392 VanDerWaalsContact O-N 3.14Å
391N98.4Very high97Very high53 Ų5392.4 Ų92.428%0.28344%0.444SS..  trans-77.995.3171.4-173.2-4.5000110.7A393N391-A393 WeakPolarHBondContact OD1-CB 3.45Å; N391-A393 PolarHBondContact OD1-N 3.46Å
392D97.8Very high97Very high56 Ų5692.3 Ų92.330%0.29944%0.444SS..  trans-102.214.1177.865.3-17.3000113K389 R390 L394K389-D392 WeakPolarHBondContact CE-OD2 3.44Å; K389-D392 IonicContact NZ-OD1 3.98Å; K389-D392 PolarHBondContact NZ-OD1 3.33Å; K389-D392 IonicContact NZ-OD2 2.81Å; K389-D392 PolarHBondContact NZ-OD2 3.02Å; R390-D392 PolarHBondContact O-N 3.35Å; R390-D392 VanDerWaalsContact O-N 3.14Å; D392-L394 PolarHBondContact O-N 2.98Å
393A97.5Very high97Very high21 Ų2184.7 Ų84.717%0.17442%0.415CS..  trans-66.3131.4-175.400000111.8N391 K425 L586N391-A393 WeakPolarHBondContact OD1-CB 3.45Å; N391-A393 PolarHBondContact OD1-N 3.46Å; A393-K425 PolarHBondContact O-NZ 3.45Å; A393-L586 HydrophobicContact CB-CD1 3.99Å; A393-L586 HydrophobicContact CB-CD2 3.36Å; A393-L586 HydrophobicContact CB-CG 4.32Å
394L96.4Very high97Very high127 Ų12783.9 Ų83.967%0.66540%0.398SS*.  trans-89.1130-177.5-59.1178.3000110.9D392D392-L394 PolarHBondContact O-N 2.98Å
395I97.5Very high97Very high7 Ų778.8 Ų78.84%0.03637%0.373CS..  trans-104.399.1175-48.9-55.7000107.8A256 F399 F400 T418 T421 I422 L586A256-I395 VanDerWaalsContact CB-O 3.26Å; A256-I395 WeakPolarHBondContact CB-O 3.42Å; I395-F399 HydrophobicContact CD1-CD1 4.24Å; I395-F399 HydrophobicContact CD1-CD2 3.98Å; I395-F399 HydrophobicContact CD1-CE1 4Å; I395-F399 HydrophobicContact CD1-CE2 3.76Å; I395-F399 HydrophobicContact CD1-CG 4.22Å; I395-F399 HydrophobicContact CD1-CZ 3.76Å; I395-F399 HydrophobicContact CG2-CD1 4.15Å; I395-F399 HydrophobicContact CG2-CG 4.47Å; I395-F400 HydrophobicContact CG2-CE2 3.98Å; I395-F400 HydrophobicContact CG2-CZ 3.77Å; I395-T418 HydrophobicContact CG2-CG2 4.49Å; I395-T421 HydrophobicContact CB-CG2 4.47Å; I395-T421 HydrophobicContact CD1-CG2 3.76Å; I395-T421 HydrophobicContact CG1-CG2 3.98Å; I395-T421 HydrophobicContact CG2-CG2 3.66Å; I395-I422 HydrophobicContact CB-CD1 4.08Å; I395-I422 HydrophobicContact CB-CG1 3.68Å; I395-I422 HydrophobicContact CG1-CG1 3.89Å; I395-I422 HydrophobicContact CG2-CD1 4.43Å; I395-I422 HydrophobicContact CG2-CG1 4.01Å; I395-L586 HydrophobicContact CD1-CD2 4.14Å
396N91.3Very high96.8Very high70 Ų7080.2 Ų80.237%0.37438%0.382SS..SBendtrans-129-17817964.720.1000110.3E398 F399 F400N396-E398 PolarHBondContact O-N 2.99Å; N396-E398 WeakPolarHBondContact OD1-CB 3.18Å; N396-E398 PolarHBondContact OD1-N 2.75Å; N396-E398 VanDerWaalsContact OD1-N 3.07Å; N396-F399 WeakPolarHBondContact O-CB 3.35Å; N396-F399 PolarHBondContact O-N 2.9Å; N396-F399 PolarHBondContact OD1-N 3.44Å; N396-F399 VanDerWaalsContact OD1-N 3.14Å; N396-F400 WeakPolarHBondContact O-CD2 3.41Å
397K91.7Very high96.5Very high125 Ų12577.3 Ų77.354%0.54338%0.375SS..G310 helixtrans-54.8-37.8179.2-175.8167-178.4160.60113.4F399 F400 E411 L414K397-F399 PolarHBondContact O-N 2.99Å; K397-F400 PolarHBondContact O-N 3.3Å; K397-F400 VanDerWaalsContact O-N 3.16Å; K397-E411 IonicContact NZ-OE1 2.79Å; K397-E411 PolarHBondContact NZ-OE1 2.9Å; K397-E411 IonicContact NZ-OE2 2.72Å; K397-L414 HydrophobicContact CD-CD1 4.18Å; K397-L414 HydrophobicContact CG-CD1 4.18Å
398E93.8Very high96.3Very high106 Ų10674.2 Ų74.250%0.49537%0.373SS..G310 helixtrans-65.9-28.8-180-171.162.6-168.200112.4N396 F400 R401N396-E398 PolarHBondContact O-N 2.99Å; N396-E398 WeakPolarHBondContact OD1-CB 3.18Å; N396-E398 PolarHBondContact OD1-N 2.75Å; N396-E398 VanDerWaalsContact OD1-N 3.07Å; E398-F400 PolarHBondContact O-N 2.89Å; E398-F400 VanDerWaalsContact O-N 3.13Å; E398-R401 WeakPolarHBondContact O-CB 3.4Å; E398-R401 WeakPolarHBondContact O-CD 3.2Å; E398-R401 WeakPolarHBondContact O-CG 3.49Å; E398-R401 PolarHBondContact O-N 3.33Å; E398-R401 WeakPolarHBondContact OE1-CD 3.45Å; E398-R401 IonicContact OE1-CZ 3.46Å; E398-R401 IonicContact OE1-NE 2.96Å; E398-R401 IonicContact OE1-NH1 2.71Å; E398-R401 PolarHBondContact OE1-NH1 2.9Å
399F95.6Very high96.2Very high38 Ų3870.4 Ų70.417%0.16736%0.356CS..G310 helixtrans-55.9-29.3174.6-172.7-99.3000112.5I395 N396 K397 T421 T584 L586I395-F399 HydrophobicContact CD1-CD1 4.24Å; I395-F399 HydrophobicContact CD1-CD2 3.98Å; I395-F399 HydrophobicContact CD1-CE1 4Å; I395-F399 HydrophobicContact CD1-CE2 3.76Å; I395-F399 HydrophobicContact CD1-CG 4.22Å; I395-F399 HydrophobicContact CD1-CZ 3.76Å; I395-F399 HydrophobicContact CG2-CD1 4.15Å; I395-F399 HydrophobicContact CG2-CG 4.47Å; N396-F399 WeakPolarHBondContact O-CB 3.35Å; N396-F399 PolarHBondContact O-N 2.9Å; N396-F399 PolarHBondContact OD1-N 3.44Å; N396-F399 VanDerWaalsContact OD1-N 3.14Å; K397-F399 PolarHBondContact O-N 2.99Å; F399-T421 HydrophobicContact CD1-CG2 4.42Å; F399-T421 HydrophobicContact CE1-CG2 3.74Å; F399-T421 HydrophobicContact CZ-CG2 4.33Å; F399-T584 HydrophobicContact CD1-CG2 4.12Å; F399-T584 HydrophobicContact CE1-CG2 3.44Å; F399-T584 VanDerWaalsContact CE1-CG2 3.44Å; F399-T584 HydrophobicContact CZ-CG2 3.73Å; F399-L586 HydrophobicContact CE2-CB 3.78Å; F399-L586 HydrophobicContact CE2-CD2 3.53Å; F399-L586 HydrophobicContact CE2-CG 4.3Å; F399-L586 HydrophobicContact CZ-CB 4.06Å; F399-L586 HydrophobicContact CZ-CD2 3.96Å
400F97.8Very high96.1Very high3 Ų367.3 Ų67.31%0.01335%0.35CS..G310 helixtrans-99.311.5-176-55.5-73.7000114.7I395 N396 K397 E398 N402 L409 L414 L417 T418 T421 A559 V582I395-F400 HydrophobicContact CG2-CE2 3.98Å; I395-F400 HydrophobicContact CG2-CZ 3.77Å; N396-F400 WeakPolarHBondContact O-CD2 3.41Å; K397-F400 PolarHBondContact O-N 3.3Å; K397-F400 VanDerWaalsContact O-N 3.16Å; E398-F400 PolarHBondContact O-N 2.89Å; E398-F400 VanDerWaalsContact O-N 3.13Å; F400-N402 VanDerWaalsContact C-N 3.28Å; F400-N402 PolarHBondContact O-N 3.1Å; F400-L409 HydrophobicContact CB-CD1 3.96Å; F400-L414 HydrophobicContact CB-CD2 3.87Å; F400-L414 HydrophobicContact CD2-CD2 4.14Å; F400-L414 HydrophobicContact CG-CD2 4.27Å; F400-L417 HydrophobicContact CD1-CB 4.3Å; F400-L417 HydrophobicContact CD1-CD1 4.34Å; F400-L417 HydrophobicContact CE1-CB 3.88Å; F400-L417 HydrophobicContact CZ-CB 4.04Å; F400-T418 WeakPolarHBondContact CE2-OG1 3.42Å; F400-T421 HydrophobicContact CZ-CG2 4.44Å; F400-A559 HydrophobicContact CD1-CB 4.05Å; F400-A559 HydrophobicContact CE1-CB 3.86Å; F400-V582 HydrophobicContact CB-CG1 4.23Å; F400-V582 HydrophobicContact CD1-CG1 4.24Å
401R96.7Very high96.1Very high185 Ų18572 Ų7270%0.69837%0.373SS*.  trans-64-26.8-173.574-168.9-175.2172.3-2.1115.2E398 V403E398-R401 WeakPolarHBondContact O-CB 3.4Å; E398-R401 WeakPolarHBondContact O-CD 3.2Å; E398-R401 WeakPolarHBondContact O-CG 3.49Å; E398-R401 PolarHBondContact O-N 3.33Å; E398-R401 WeakPolarHBondContact OE1-CD 3.45Å; E398-R401 IonicContact OE1-CZ 3.46Å; E398-R401 IonicContact OE1-NE 2.96Å; E398-R401 IonicContact OE1-NH1 2.71Å; E398-R401 PolarHBondContact OE1-NH1 2.9Å; R401-V403 PolarHBondContact O-N 3.28Å; R401-V403 VanDerWaalsContact O-N 3.12Å
402N97.9Very high96.1Very high83 Ų8374.1 Ų74.144%0.44438%0.384SS..  trans-90.371.9-172.1-175.642.7000111.5F400 V582 H583F400-N402 VanDerWaalsContact C-N 3.28Å; F400-N402 PolarHBondContact O-N 3.1Å; N402-V582 WeakPolarHBondContact O-CA 3.23Å; N402-H583 WeakPolarHBondContact CB-O 3.26Å; N402-H583 PolarHBondContact ND2-O 2.92Å; N402-H583 PolarHBondContact O-N 2.92Å
403V98.3Very high96.1Very high50 Ų5071.5 Ų71.530%0.30337%0.37SS..BIsolated β-bridgetrans-76.1119.3171.6-177.90000108.6R401 L409 T580 L581 V582R401-V403 PolarHBondContact O-N 3.28Å; R401-V403 VanDerWaalsContact O-N 3.12Å; V403-L409 HydrophobicContact CG2-CD1 4.12Å; V403-L409 HydrophobicContact CG2-CG 4.17Å; V403-T580 HydrophobicContact CG1-CG2 3.71Å; V403-L581 WeakPolarHBondContact CA-O 3.36Å; V403-V582 HydrophobicContact CG2-CG2 4.21Å
404V98Very high96.1Very high44 Ų4471.3 Ų71.327%0.26737%0.366SS..  trans-108.1-11.1-174-660000113.6I571 L581 H583V404-I571 HydrophobicContact CB-CD1 4.31Å; V404-I571 HydrophobicContact CB-CG1 4.46Å; V404-I571 HydrophobicContact CG2-CD1 4.2Å; V404-I571 HydrophobicContact CG2-CG1 3.92Å; V404-L581 HydrophobicContact CG2-CB 4.17Å; V404-L581 HydrophobicContact CG2-CD2 3.94Å; V404-L581 HydrophobicContact CG2-CG 3.82Å; V404-L581 WeakPolarHBondContact CG2-O 3.38Å; V404-L581 PolarHBondContact N-O 3.42Å; V404-H583 HydrophobicContact CG1-CB 3.91Å; V404-H583 HydrophobicContact CG2-CB 4.12Å
405S97.3Very high96.2Very high13 Ų1367 Ų679%0.09134%0.341CS..SBendtrans-99175.6171.378.30000111.4G407 N575 I579 T580 L581S405-G407 PolarHBondContact O-N 3.46Å; S405-G407 VanDerWaalsContact O-N 3.16Å; S405-N575 WeakPolarHBondContact CA-OD1 3.46Å; S405-N575 VanDerWaalsContact CB-OD1 3.29Å; S405-N575 WeakPolarHBondContact CB-OD1 3.46Å; S405-I579 PolarHBondContact OG-O 3.5Å; S405-T580 VanDerWaalsContact OG-CA 3.25Å; S405-T580 WeakPolarHBondContact OG-CA 3.42Å; S405-L581 PolarHBondContact OG-N 3.04Å
406K93.7Very high96.3Very high190 Ų19067 Ų6783%0.82634%0.341SS*.SBendtrans-71.5-2.8-174.6-68.7174.7-179178.70115.1N575K406-N575 WeakPolarHBondContact CG-OD1 3.36Å; K406-N575 PolarHBondContact N-OD1 3.28Å
407G92.3Very high96.7Very high35 Ų3563.6 Ų63.636%0.36132%0.323SS..  trans-87.4-172.9-174.800000114.5S405 T580S405-G407 PolarHBondContact O-N 3.46Å; S405-G407 VanDerWaalsContact O-N 3.16Å; G407-T580 WeakPolarHBondContact CA-OG1 3.44Å
408S94.8Very high97Very high92 Ų9257.9 Ų57.964%0.64330%0.299SS*.  trans-142.9160173.565.70000110.2T580S408-T580 PolarHBondContact N-OG1 3.3Å; S408-T580 PolarHBondContact O-OG1 3.24Å
409L96.9Very high97.3Very high33 Ų3352.9 Ų52.917%0.17328%0.275CS..  trans-100.1122.6-179.5-57.9174.8000110F400 V403 A413 L414 L417 F557 T580 V582F400-L409 HydrophobicContact CB-CD1 3.96Å; V403-L409 HydrophobicContact CG2-CD1 4.12Å; V403-L409 HydrophobicContact CG2-CG 4.17Å; L409-A413 HydrophobicContact CD2-CB 4.44Å; L409-L414 HydrophobicContact CB-CD2 4.06Å; L409-L414 HydrophobicContact CB-CG 3.89Å; L409-L414 HydrophobicContact CD1-CD2 3.58Å; L409-L414 HydrophobicContact CD1-CG 4.34Å; L409-L414 HydrophobicContact CG-CD2 4.47Å; L409-L417 HydrophobicContact CD1-CD1 4.22Å; L409-L417 HydrophobicContact CD2-CD1 3.77Å; L409-F557 HydrophobicContact CD2-CD1 3.92Å; L409-T580 HydrophobicContact CD2-CG2 3.64Å; L409-T580 HydrophobicContact CG-CG2 4.21Å; L409-V582 HydrophobicContact CD1-CG2 3.66Å; L409-V582 HydrophobicContact CD2-CG2 4.23Å; L409-V582 HydrophobicContact CG-CG2 4.38Å
410S96.8Very high97.4Very high57 Ų5751 Ų5140%0.39927%0.267SS..  trans-74.3166.4165.863.10000110.5D412 A413 L414S410-D412 VanDerWaalsContact C-N 3.27Å; S410-D412 PolarHBondContact O-N 3.41Å; S410-A413 PolarHBondContact O-N 3.17Å; S410-A413 WeakPolarHBondContact OG-CB 3.25Å; S410-A413 PolarHBondContact OG-N 2.83Å; S410-A413 VanDerWaalsContact OG-N 3.11Å; S410-L414 WeakPolarHBondContact O-CG 3.44Å; S410-L414 PolarHBondContact O-N 3.07Å
411E97.3Very high97.5Very high125 Ų12551 Ų5158%0.58427%0.267SS*.Hα-helixtrans-63.3-34.4174.7-64.6-60.414400112K397 L414 R415K397-E411 IonicContact NZ-OE1 2.79Å; K397-E411 PolarHBondContact NZ-OE1 2.9Å; K397-E411 IonicContact NZ-OE2 2.72Å; E411-L414 PolarHBondContact O-N 3.16Å; E411-R415 WeakPolarHBondContact O-CB 3.32Å; E411-R415 PolarHBondContact O-N 2.88Å
412D98.1Very high97.6Very high96 Ų9642.2 Ų42.251%0.51323%0.234SC..Hα-helixtrans-65.7-43173.5-76.4-33.8000112S410 R415 D416S410-D412 VanDerWaalsContact C-N 3.27Å; S410-D412 PolarHBondContact O-N 3.41Å; D412-R415 PolarHBondContact O-N 3.44Å; D412-R415 IonicContact OD1-CZ 3.23Å; D412-R415 VanDerWaalsContact OD1-CZ 3.3Å; D412-R415 IonicContact OD1-NH1 3.22Å; D412-R415 PolarHBondContact OD1-NH1 3.41Å; D412-R415 IonicContact OD1-NH2 3.79Å; D412-R415 PolarHBondContact OD1-NH2 2.95Å; D412-D416 WeakPolarHBondContact O-CB 3.41Å; D412-D416 PolarHBondContact O-N 2.94Å
413A98.3Very high97.6Very high1 Ų138.2 Ų38.21%0.00821%0.213CC..Hα-helixtrans-64-40.8175.300000111.8L409 S410 D416 L417 F557L409-A413 HydrophobicContact CD2-CB 4.44Å; S410-A413 PolarHBondContact O-N 3.17Å; S410-A413 WeakPolarHBondContact OG-CB 3.25Å; S410-A413 PolarHBondContact OG-N 2.83Å; S410-A413 VanDerWaalsContact OG-N 3.11Å; A413-D416 PolarHBondContact O-N 3.46Å; A413-L417 VanDerWaalsContact O-CB 3.31Å; A413-L417 WeakPolarHBondContact O-CB 3.49Å; A413-L417 VanDerWaalsContact O-CG 3.31Å; A413-L417 WeakPolarHBondContact O-CG 3.3Å; A413-L417 PolarHBondContact O-N 3.45Å; A413-F557 HydrophobicContact CB-CB 4.4Å; A413-F557 HydrophobicContact CB-CD1 3.56Å; A413-F557 HydrophobicContact CB-CD2 3.65Å; A413-F557 HydrophobicContact CB-CE1 3.65Å; A413-F557 HydrophobicContact CB-CE2 3.73Å; A413-F557 HydrophobicContact CB-CG 3.58Å; A413-F557 HydrophobicContact CB-CZ 3.75Å
414L98.4Very high97.7Very high17 Ų1735.9 Ų35.99%0.08920%0.199CC..Hα-helixtrans-62.8-43.5175-77.8169.8000111.7K397 F400 L409 S410 E411 T418K397-L414 HydrophobicContact CD-CD1 4.18Å; K397-L414 HydrophobicContact CG-CD1 4.18Å; F400-L414 HydrophobicContact CB-CD2 3.87Å; F400-L414 HydrophobicContact CD2-CD2 4.14Å; F400-L414 HydrophobicContact CG-CD2 4.27Å; L409-L414 HydrophobicContact CB-CD2 4.06Å; L409-L414 HydrophobicContact CB-CG 3.89Å; L409-L414 HydrophobicContact CD1-CD2 3.58Å; L409-L414 HydrophobicContact CD1-CG 4.34Å; L409-L414 HydrophobicContact CG-CD2 4.47Å; S410-L414 WeakPolarHBondContact O-CG 3.44Å; S410-L414 PolarHBondContact O-N 3.07Å; E411-L414 PolarHBondContact O-N 3.16Å; L414-T418 VanDerWaalsContact O-CB 3.3Å; L414-T418 WeakPolarHBondContact O-CB 3.42Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.32Å
415R98.8Very high97.7Very high36 Ų3633.9 Ų33.914%0.13619%0.186CC..Hα-helixtrans-59-49.5174.3-179.8-164.162.9-131.3-12110.8L257 V275 E411 D412 T418 V419L257-R415 HydrophobicContact CD1-CG 4Å; L257-R415 HydrophobicContact CD2-CB 4.38Å; L257-R415 HydrophobicContact CD2-CG 4.25Å; V275-R415 HydrophobicContact CG2-CG 4.24Å; E411-R415 WeakPolarHBondContact O-CB 3.32Å; E411-R415 PolarHBondContact O-N 2.88Å; D412-R415 PolarHBondContact O-N 3.44Å; D412-R415 IonicContact OD1-CZ 3.23Å; D412-R415 VanDerWaalsContact OD1-CZ 3.3Å; D412-R415 IonicContact OD1-NH1 3.22Å; D412-R415 PolarHBondContact OD1-NH1 3.41Å; D412-R415 IonicContact OD1-NH2 3.79Å; D412-R415 PolarHBondContact OD1-NH2 2.95Å; R415-T418 WeakPolarHBondContact O-CB 3.5Å; R415-T418 PolarHBondContact O-N 3.23Å; R415-V419 WeakPolarHBondContact O-CG2 3.5Å; R415-V419 PolarHBondContact O-N 2.92Å
416D98.9Very high97.8Very high7 Ų733.7 Ų33.74%0.03718%0.184CC..Hα-helixtrans-70.9-37.3-174.1-64.5-4.7000111.5D412 A413 V419 A420 A435 K436 A437 G438 A534D412-D416 WeakPolarHBondContact O-CB 3.41Å; D412-D416 PolarHBondContact O-N 2.94Å; A413-D416 PolarHBondContact O-N 3.46Å; D416-V419 PolarHBondContact O-N 3.04Å; D416-A420 WeakPolarHBondContact O-CB 3.47Å; D416-A420 PolarHBondContact O-N 3.41Å; D416-A435 HydrophobicContact CB-CB 4.3Å; D416-A435 VanDerWaalsContact O-CB 3.31Å; D416-A435 WeakPolarHBondContact O-CB 3.3Å; D416-K436 VanDerWaalsContact OD2-CA 3.3Å; D416-K436 WeakPolarHBondContact OD2-CA 3.45Å; D416-A437 PolarHBondContact OD1-N 3.24Å; D416-A437 PolarHBondContact OD2-N 2.85Å; D416-G438 WeakPolarHBondContact OD1-CA 3.11Å; D416-G438 PolarHBondContact OD1-N 2.92Å; D416-A534 HydrophobicContact CB-CB 3.64Å
417L98.8Very high98Very high0 Ų024.6 Ų24.60%014%0.144CC..Hα-helixtrans-62.8-41.9169.2-75.8174.8000111.6F400 L409 A413 V419 A420 T421 A534 V535 F557 A559 V582F400-L417 HydrophobicContact CD1-CB 4.3Å; F400-L417 HydrophobicContact CD1-CD1 4.34Å; F400-L417 HydrophobicContact CE1-CB 3.88Å; F400-L417 HydrophobicContact CZ-CB 4.04Å; L409-L417 HydrophobicContact CD1-CD1 4.22Å; L409-L417 HydrophobicContact CD2-CD1 3.77Å; A413-L417 VanDerWaalsContact O-CB 3.31Å; A413-L417 WeakPolarHBondContact O-CB 3.49Å; A413-L417 VanDerWaalsContact O-CG 3.31Å; A413-L417 WeakPolarHBondContact O-CG 3.3Å; A413-L417 PolarHBondContact O-N 3.45Å; L417-V419 VanDerWaalsContact C-N 3.35Å; L417-V419 PolarHBondContact O-N 2.85Å; L417-A420 PolarHBondContact O-N 2.96Å; L417-T421 VanDerWaalsContact O-CB 3.26Å; L417-T421 WeakPolarHBondContact O-CB 3.25Å; L417-T421 PolarHBondContact O-N 3.46Å; L417-T421 PolarHBondContact O-OG1 3.1Å; L417-A534 HydrophobicContact CD2-CB 3.91Å; L417-A534 HydrophobicContact CG-CB 3.98Å; L417-V535 WeakPolarHBondContact CD2-O 3.34Å; L417-F557 HydrophobicContact CD1-CB 4.27Å; L417-F557 HydrophobicContact CD2-CB 4.43Å; L417-F557 HydrophobicContact CG-CB 4.34Å; L417-A559 HydrophobicContact CD2-CB 3.8Å; L417-V582 HydrophobicContact CD1-CG2 4.37Å
418T98.9Very high98.3Very high5 Ų525.2 Ų25.23%0.03114%0.138CC..Hα-helixtrans-60.2-45.7175.8-59.40000111.1A256 L257 I395 F400 L414 R415 T421 I422A256-T418 HydrophobicContact CB-CG2 3.74Å; L257-T418 HydrophobicContact CD1-CG2 4.07Å; L257-T418 HydrophobicContact CD2-CG2 3.93Å; L257-T418 HydrophobicContact CG-CG2 3.9Å; I395-T418 HydrophobicContact CG2-CG2 4.49Å; F400-T418 WeakPolarHBondContact CE2-OG1 3.42Å; L414-T418 VanDerWaalsContact O-CB 3.3Å; L414-T418 WeakPolarHBondContact O-CB 3.42Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.32Å; R415-T418 WeakPolarHBondContact O-CB 3.5Å; R415-T418 PolarHBondContact O-N 3.23Å; T418-T421 PolarHBondContact O-N 2.71Å; T418-I422 HydrophobicContact CG2-CD1 3.77Å; T418-I422 WeakPolarHBondContact O-CB 3.43Å; T418-I422 WeakPolarHBondContact O-CG1 3.2Å; T418-I422 PolarHBondContact O-N 2.96Å
419V98.9Very high98.5Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-59.6-50175.4171.70000111.1L253 L257 V275 R415 D416 L417 T421 A423 A435 V440L253-V419 HydrophobicContact CD2-CB 4.37Å; L253-V419 HydrophobicContact CD2-CG2 3.99Å; L257-V419 HydrophobicContact CD1-CG2 4.01Å; V275-V419 HydrophobicContact CG2-CG2 4.26Å; R415-V419 WeakPolarHBondContact O-CG2 3.5Å; R415-V419 PolarHBondContact O-N 2.92Å; D416-V419 PolarHBondContact O-N 3.04Å; L417-V419 VanDerWaalsContact C-N 3.35Å; L417-V419 PolarHBondContact O-N 2.85Å; V419-T421 PolarHBondContact O-N 3.02Å; V419-A423 VanDerWaalsContact O-CB 3.3Å; V419-A423 WeakPolarHBondContact O-CB 3.47Å; V419-A423 PolarHBondContact O-N 2.9Å; V419-A435 HydrophobicContact CG1-CB 4.39Å; V419-V440 HydrophobicContact CG1-CG2 4.22Å
420A98.9Very high98.6Very high0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-63.1-42.918000000112.5D416 L417 A423 V424 C433 A435D416-A420 WeakPolarHBondContact O-CB 3.47Å; D416-A420 PolarHBondContact O-N 3.41Å; L417-A420 PolarHBondContact O-N 2.96Å; A420-A423 PolarHBondContact O-N 3.35Å; A420-V424 PolarHBondContact O-N 3.23Å; A420-C433 HydrophobicContact CB-CB 4.12Å; A420-A435 HydrophobicContact CB-CB 3.83Å
421T98.9Very high98.7Very high1 Ų118.6 Ų18.61%0.0069%0.092CC..Hα-helixtrans-69.1-42.3-177.8-620000112.1I395 F399 F400 L417 T418 V419 A423 V424 K425 S536 L588I395-T421 HydrophobicContact CB-CG2 4.47Å; I395-T421 HydrophobicContact CD1-CG2 3.76Å; I395-T421 HydrophobicContact CG1-CG2 3.98Å; I395-T421 HydrophobicContact CG2-CG2 3.66Å; F399-T421 HydrophobicContact CD1-CG2 4.42Å; F399-T421 HydrophobicContact CE1-CG2 3.74Å; F399-T421 HydrophobicContact CZ-CG2 4.33Å; F400-T421 HydrophobicContact CZ-CG2 4.44Å; L417-T421 VanDerWaalsContact O-CB 3.26Å; L417-T421 WeakPolarHBondContact O-CB 3.25Å; L417-T421 PolarHBondContact O-N 3.46Å; L417-T421 PolarHBondContact O-OG1 3.1Å; T418-T421 PolarHBondContact O-N 2.71Å; V419-T421 PolarHBondContact O-N 3.02Å; T421-A423 VanDerWaalsContact C-N 3.34Å; T421-V424 WeakPolarHBondContact O-CG2 3.35Å; T421-V424 PolarHBondContact O-N 3.44Å; T421-K425 PolarHBondContact O-N 3.46Å; T421-K425 VanDerWaalsContact O-N 3.14Å; T421-S536 WeakPolarHBondContact CA-OG 3.4Å; T421-S536 WeakPolarHBondContact OG1-CB 3.41Å; T421-S536 PolarHBondContact OG1-OG 3.36Å; T421-L588 HydrophobicContact CG2-CD1 3.65Å
422I98.9Very high98.8Very high1 Ų112.7 Ų12.71%0.0056%0.064CC..Hα-helixtrans-68-36.6174.8-70.1169.3000110.5L249 E252 L253 A256 I395 T418 K425 Y426L249-I422 HydrophobicContact CD2-CG2 4.24Å; L249-I422 HydrophobicContact CG-CG2 3.99Å; E252-I422 HydrophobicContact CB-CD1 4.1Å; E252-I422 HydrophobicContact CB-CG2 4.1Å; L253-I422 HydrophobicContact CD2-CB 3.99Å; L253-I422 HydrophobicContact CD2-CD1 3.9Å; L253-I422 HydrophobicContact CD2-CG2 4.08Å; L253-I422 HydrophobicContact CG-CB 4.47Å; L253-I422 HydrophobicContact CG-CD1 4.46Å; L253-I422 HydrophobicContact CG-CG2 4Å; A256-I422 HydrophobicContact CB-CD1 4.01Å; I395-I422 HydrophobicContact CB-CD1 4.08Å; I395-I422 HydrophobicContact CB-CG1 3.68Å; I395-I422 HydrophobicContact CG1-CG1 3.89Å; I395-I422 HydrophobicContact CG2-CD1 4.43Å; I395-I422 HydrophobicContact CG2-CG1 4.01Å; T418-I422 HydrophobicContact CG2-CD1 3.77Å; T418-I422 WeakPolarHBondContact O-CB 3.43Å; T418-I422 WeakPolarHBondContact O-CG1 3.2Å; T418-I422 PolarHBondContact O-N 2.96Å; I422-K425 WeakPolarHBondContact O-CB 3.12Å; I422-K425 PolarHBondContact O-N 2.71Å; I422-Y426 HydrophobicContact CG2-CD2 4.41Å; I422-Y426 HydrophobicContact CG2-CE2 4.48Å; I422-Y426 WeakPolarHBondContact O-CD2 3.31Å
423A98.9Very high98.8Very high0 Ų08.1 Ų8.10%04%0.039CC..Hα-helixtrans-61.1-48.217400000112.5V419 A420 T421 K425 Y426 T427 V440 I443V419-A423 VanDerWaalsContact O-CB 3.3Å; V419-A423 WeakPolarHBondContact O-CB 3.47Å; V419-A423 PolarHBondContact O-N 2.9Å; A420-A423 PolarHBondContact O-N 3.35Å; T421-A423 VanDerWaalsContact C-N 3.34Å; A423-K425 VanDerWaalsContact C-N 3.29Å; A423-K425 PolarHBondContact O-N 3.33Å; A423-Y426 CarbonylContact O-C 3.5Å; A423-Y426 PolarHBondContact O-N 3.29Å; A423-T427 PolarHBondContact O-N 3.3Å; A423-T427 PolarHBondContact O-OG1 3.13Å; A423-V440 HydrophobicContact CB-CG2 3.91Å; A423-I443 HydrophobicContact CB-CD1 4.26Å
424V98.8Very high98.8Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-63.9-32.7178.6-63.30000112.8A420 T421 Y426 T427 S431 C433 D538 L588A420-V424 PolarHBondContact O-N 3.23Å; T421-V424 WeakPolarHBondContact O-CG2 3.35Å; T421-V424 PolarHBondContact O-N 3.44Å; V424-Y426 PolarHBondContact O-N 3.08Å; V424-T427 PolarHBondContact O-N 3.29Å; V424-T427 VanDerWaalsContact O-N 3.14Å; V424-S431 WeakPolarHBondContact CB-OG 3.41Å; V424-S431 PolarHBondContact O-OG 2.86Å; V424-C433 HydrophobicContact CG1-CB 3.46Å; V424-C433 VanDerWaalsContact CG1-CB 3.46Å; V424-D538 HydrophobicContact CB-CB 4.42Å; V424-L588 HydrophobicContact CG2-CD1 3.91Å
425K98.9Very high98.8Very high3 Ų37.2 Ų7.21%0.0134%0.035CC..Hα-helixtrans-56.9-30.5175.7179.2177.9172.7-170.40113.1E252 A393 T421 I422 A423 L588E252-K425 IonicContact OE1-NZ 2.73Å; E252-K425 PolarHBondContact OE1-NZ 2.94Å; E252-K425 IonicContact OE2-NZ 3.91Å; E252-K425 PolarHBondContact OE2-NZ 3.46Å; A393-K425 PolarHBondContact O-NZ 3.45Å; T421-K425 PolarHBondContact O-N 3.46Å; T421-K425 VanDerWaalsContact O-N 3.14Å; I422-K425 WeakPolarHBondContact O-CB 3.12Å; I422-K425 PolarHBondContact O-N 2.71Å; A423-K425 VanDerWaalsContact C-N 3.29Å; A423-K425 PolarHBondContact O-N 3.33Å; K425-L588 HydrophobicContact CB-CD1 4.31Å; K425-L588 HydrophobicContact CB-CD2 4.15Å; K425-L588 HydrophobicContact CD-CD2 4.36Å; K425-L588 HydrophobicContact CG-CD2 4.08Å
426Y98.9Very high98.9Very high8 Ų87.9 Ų7.93%0.0314%0.038CC..THydrogen-bonded Turntrans-112.422.2-179.2-66.2-74.6000113.2N245 Q248 L249 E252 P270 I422 A423 V424N245-Y426 HydrophobicContact CB-CD1 4.41Å; Q248-Y426 HydrophobicContact CB-CD1 4.33Å; Q248-Y426 HydrophobicContact CB-CE1 3.5Å; Q248-Y426 VanDerWaalsContact CB-CE1 3.5Å; Q248-Y426 HydrophobicContact CB-CE2 4.21Å; Q248-Y426 VanDerWaalsContact CB-CZ 3.45Å; Q248-Y426 WeakPolarHBondContact CB-OH 3.44Å; Q248-Y426 HydrophobicContact CG-CE1 4.32Å; L249-Y426 HydrophobicContact CB-CD2 3.8Å; L249-Y426 HydrophobicContact CB-CE2 4.45Å; L249-Y426 HydrophobicContact CB-CG 4.17Å; L249-Y426 HydrophobicContact CG-CD2 4.15Å; E252-Y426 PolarHBondContact OE1-OH 3.49Å; P270-Y426 WeakPolarHBondContact CD-O 3.34Å; I422-Y426 HydrophobicContact CG2-CD2 4.41Å; I422-Y426 HydrophobicContact CG2-CE2 4.48Å; I422-Y426 WeakPolarHBondContact O-CD2 3.31Å; A423-Y426 CarbonylContact O-C 3.5Å; A423-Y426 PolarHBondContact O-N 3.29Å; V424-Y426 PolarHBondContact O-N 3.08Å
427T98.9Very high98.8Very high0 Ų08.4 Ų8.40%04%0.044CC..SBendtrans-112.5132.8178-60.20000109.8P270 A423 V424 S429 I443 A445P270-T427 VanDerWaalsContact CD-OG1 3.25Å; P270-T427 WeakPolarHBondContact CD-OG1 3.48Å; P270-T427 WeakPolarHBondContact CG-OG1 3.45Å; A423-T427 PolarHBondContact O-N 3.3Å; A423-T427 PolarHBondContact O-OG1 3.13Å; V424-T427 PolarHBondContact O-N 3.29Å; V424-T427 VanDerWaalsContact O-N 3.14Å; T427-S429 PolarHBondContact O-N 3.31Å; T427-I443 HydrophobicContact CG2-CD1 4.08Å; T427-I443 HydrophobicContact CG2-CG1 4.38Å; T427-I443 VanDerWaalsContact OG1-CD1 3.26Å; T427-I443 WeakPolarHBondContact OG1-CD1 3.06Å; T427-A445 HydrophobicContact CG2-CB 3.39Å
428Q98.8Very high98.8Very high47 Ų478.4 Ų8.422%0.224%0.044CC..PPolyproline II helixtrans-53.2128.6177.1-70.4-71.9-42.800110.8V268 S269 A445 G446 H590V268-Q428 WeakPolarHBondContact O-CG 3.41Å; S269-Q428 WeakPolarHBondContact OG-CG 3.22Å; S269-Q428 PolarHBondContact OG-N 2.97Å; Q428-A445 CarbonylContact O-C 3.59Å; Q428-A445 WeakPolarHBondContact O-CA 3.16Å; Q428-G446 PolarHBondContact O-N 3.14Å; Q428-H590 PolarHBondContact NE2-CD2 3.5Å; Q428-H590 PolarHBondContact NE2-NE2 3.41Å
429S98.4Very high98.8Very high10 Ų108.2 Ų8.27%0.074%0.043CC..SBendtrans-81154.2-171.2-75.80000114T427 G446 D538 F589 H590T427-S429 PolarHBondContact O-N 3.31Å; S429-G446 WeakPolarHBondContact O-CA 3.29Å; S429-D538 WeakPolarHBondContact CB-OD2 3.41Å; S429-D538 PolarHBondContact OG-OD2 2.88Å; S429-F589 VanDerWaalsContact OG-CA 3.25Å; S429-F589 WeakPolarHBondContact OG-CA 3.48Å; S429-H590 PolarHBondContact N-O 3.08Å; S429-H590 PolarHBondContact OG-N 3.17Å
430N98.3Very high98.8Very high34 Ų348.2 Ų8.218%0.1824%0.043CC..SBendcis-78.8143.2-3.8-65.7-17.2000111.6Q447 C453 D538 F589N430-Q447 WeakPolarHBondContact CB-O 3.39Å; N430-Q447 PolarHBondContact N-O 3.31Å; N430-Q447 PolarHBondContact O-N 3Å; N430-C453 PolarHBondContact O-SG 3.33Å; N430-D538 WeakPolarHBondContact CA-OD2 3.37Å; N430-F589 VanDerWaalsContact OD1-CE1 3.29Å; N430-F589 WeakPolarHBondContact OD1-CE1 3.44Å
431S98.8Very high98.8Very high0 Ų08.3 Ų8.30%04%0.043CC..  trans-128.2146.6-174.965.70000114.5V424 G444 R450 D538V424-S431 WeakPolarHBondContact CB-OG 3.41Å; V424-S431 PolarHBondContact O-OG 2.86Å; S431-G444 WeakPolarHBondContact CA-O 3.27Å; S431-G444 VanDerWaalsContact CB-O 3.29Å; S431-G444 WeakPolarHBondContact CB-O 3.31Å; S431-R450 PolarHBondContact O-NH1 2.99Å; S431-D538 VanDerWaalsContact N-CG 3.35Å; S431-D538 PolarHBondContact N-OD1 3.36Å; S431-D538 PolarHBondContact N-OD2 3.27Å; S431-D538 PolarHBondContact O-N 3.17Å; S431-D538 PolarHBondContact OG-OD2 2.85Å
432V98.9Very high98.8Very high0 Ų08.4 Ų8.40%04%0.044CC..EExtended strand (participates in β ladder)trans-139.3134.5174.2174.20000107.7Y434 I443 G444 C453 M454 A457 V535 S536V432-Y434 HydrophobicContact CG1-CD2 4.31Å; V432-Y434 HydrophobicContact CG1-CE2 3.96Å; V432-I443 WeakPolarHBondContact O-CA 3.23Å; V432-G444 PolarHBondContact N-O 2.9Å; V432-G444 PolarHBondContact O-N 2.89Å; V432-C453 HydrophobicContact CG2-CB 4.1Å; V432-C453 PolarHBondContact N-SG 2.82Å; V432-M454 HydrophobicContact CG1-SD 3.6Å; V432-A457 HydrophobicContact CB-CB 4.26Å; V432-A457 HydrophobicContact CG1-CB 4.22Å; V432-A457 WeakPolarHBondContact O-CB 3.46Å; V432-V535 HydrophobicContact CG1-CG1 3.92Å; V432-S536 WeakPolarHBondContact CA-O 3.29Å
433C98.9Very high98.8Very high0 Ų08.7 Ų8.70%05%0.046CC..EExtended strand (participates in β ladder)trans-127.3130.7-179.3-175.10000111.2A420 V424 G442 I443 V535 S536A420-C433 HydrophobicContact CB-CB 4.12Å; V424-C433 HydrophobicContact CG1-CB 3.46Å; V424-C433 VanDerWaalsContact CG1-CB 3.46Å; C433-G442 CarbonylContact C-O 3.59Å; C433-I443 HydrophobicContact CB-CD1 4.14Å; C433-I443 HydrophobicContact CB-CG1 4.02Å; C433-V535 CarbonylContact O-C 3.53Å; C433-V535 VanDerWaalsContact O-CA 3.26Å; C433-V535 WeakPolarHBondContact O-CA 3.43Å; C433-S536 PolarHBondContact N-O 3.22Å; C433-S536 PolarHBondContact O-N 3Å
434Y98.9Very high98.8Very high0 Ų08.7 Ų8.70%05%0.046CC..EExtended strand (participates in β ladder)trans-99.5131.7168.4-69.2-115.5000108.1V432 I441 G442 M454 A457 A461 V533 A534 V535 V555V432-Y434 HydrophobicContact CG1-CD2 4.31Å; V432-Y434 HydrophobicContact CG1-CE2 3.96Å; Y434-I441 WeakPolarHBondContact O-CG1 3.24Å; Y434-I441 PolarHBondContact O-N 3.17Å; Y434-G442 PolarHBondContact N-O 3.45Å; Y434-G442 PolarHBondContact O-N 2.78Å; Y434-M454 HydrophobicContact CE1-CE 4.41Å; Y434-M454 HydrophobicContact CE2-CE 4.29Å; Y434-M454 HydrophobicContact CE2-SD 3.91Å; Y434-M454 WeakPolarHBondContact OH-CE 3.43Å; Y434-M454 PolarHBondContact OH-O 3.42Å; Y434-M454 VanDerWaalsContact OH-O 3.1Å; Y434-M454 PolarHBondContact OH-SD 3.49Å; Y434-A457 HydrophobicContact CD2-CB 3.74Å; Y434-A457 HydrophobicContact CE2-CB 3.69Å; Y434-A461 HydrophobicContact CD1-CB 4.25Å; Y434-A461 HydrophobicContact CG-CB 4.2Å; Y434-V533 HydrophobicContact CD1-CG1 3.92Å; Y434-A534 CarbonylContact C-O 3.56Å; Y434-A534 WeakPolarHBondContact CA-O 3.48Å; Y434-V535 HydrophobicContact CD1-CG2 3.36Å; Y434-V535 HydrophobicContact CD2-CG2 4Å; Y434-V535 HydrophobicContact CE1-CG2 3.53Å; Y434-V535 HydrophobicContact CE2-CG2 4.12Å; Y434-V535 HydrophobicContact CG-CG2 3.62Å; Y434-V555 HydrophobicContact CD1-CG2 3.74Å; Y434-V555 HydrophobicContact CE1-CG2 3.49Å; Y434-V555 VanDerWaalsContact CE1-CG2 3.49Å
435A98.9Very high98.8Very high0 Ų010.4 Ų10.40%06%0.06CC..EExtended strand (participates in β ladder)trans-133.6148.2179.300000111.7D416 V419 A420 Q439 A534D416-A435 HydrophobicContact CB-CB 4.3Å; D416-A435 VanDerWaalsContact O-CB 3.31Å; D416-A435 WeakPolarHBondContact O-CB 3.3Å; V419-A435 HydrophobicContact CG1-CB 4.39Å; A420-A435 HydrophobicContact CB-CB 3.83Å; A435-Q439 CarbonylContact C-O 3.58Å; A435-Q439 WeakPolarHBondContact CA-O 3.4Å; A435-Q439 VanDerWaalsContact CB-O 3.3Å; A435-Q439 WeakPolarHBondContact CB-O 3.43Å; A435-A534 PolarHBondContact N-O 2.84Å; A435-A534 PolarHBondContact O-N 2.83Å
436K98.9Very high98.7Very high49 Ų4912.4 Ų12.421%0.2138%0.081CC..EExtended strand (participates in β ladder)trans-153.4143.3175.8-178.5175.5176.865.20109.4D416 G438 Q439 I441 W464 L530 Q531 V533D416-K436 VanDerWaalsContact OD2-CA 3.3Å; D416-K436 WeakPolarHBondContact OD2-CA 3.45Å; K436-G438 PolarHBondContact O-N 3.26Å; K436-Q439 PolarHBondContact N-O 3.29Å; K436-Q439 WeakPolarHBondContact O-CG 3.46Å; K436-Q439 PolarHBondContact O-N 3.22Å; K436-Q439 VanDerWaalsContact O-N 3.07Å; K436-I441 HydrophobicContact CB-CD1 3.97Å; K436-I441 HydrophobicContact CB-CG2 4.08Å; K436-W464 HydrophobicContact CD-CH2 4.46Å; K436-W464 HydrophobicContact CD-CZ3 4.47Å; K436-L530 HydrophobicContact CD-CD1 3.77Å; K436-Q531 PolarHBondContact NZ-O 2.77Å; K436-V533 HydrophobicContact CB-CG2 4.49Å; K436-V533 HydrophobicContact CD-CG2 4.2Å
437A98.4Very high98.7Very high19 Ų1915 Ų1516%0.1579%0.094CC..THydrogen-bonded Turntrans54.839173.600000113.2D416 Q439D416-A437 PolarHBondContact OD1-N 3.24Å; D416-A437 PolarHBondContact OD2-N 2.85Å; A437-Q439 VanDerWaalsContact C-N 3.31Å; A437-Q439 PolarHBondContact O-N 2.94Å
438G98.8Very high98.7Very high0 Ų024 Ų240%014%0.136CC..THydrogen-bonded Turntrans75.114.5178.200000114.4A274 V275 D416 K436A274-G438 CarbonylContact C-O 3.5Å; A274-G438 WeakPolarHBondContact CA-O 3.4Å; A274-G438 WeakPolarHBondContact CB-O 3.43Å; V275-G438 WeakPolarHBondContact CG2-O 3.42Å; V275-G438 PolarHBondContact N-O 3.36Å; D416-G438 WeakPolarHBondContact OD1-CA 3.11Å; D416-G438 PolarHBondContact OD1-N 2.92Å; K436-G438 PolarHBondContact O-N 3.26Å
439Q98.9Very high98.6Very high1 Ų123.8 Ų23.81%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-134.2155.6177.267.1167.89300113.4A273 A274 R305 A435 K436 A437 I441A273-Q439 CarbonylContact O-C 3.5Å; A273-Q439 WeakPolarHBondContact O-CA 3.47Å; A274-Q439 HydrophobicContact CB-CB 3.5Å; R305-Q439 HydrophobicContact CB-CB 3.93Å; R305-Q439 HydrophobicContact CB-CG 4.41Å; R305-Q439 VanDerWaalsContact CB-OE1 3.32Å; R305-Q439 PolarHBondContact O-NE2 3.38Å; A435-Q439 CarbonylContact C-O 3.58Å; A435-Q439 WeakPolarHBondContact CA-O 3.4Å; A435-Q439 VanDerWaalsContact CB-O 3.3Å; A435-Q439 WeakPolarHBondContact CB-O 3.43Å; K436-Q439 PolarHBondContact N-O 3.29Å; K436-Q439 WeakPolarHBondContact O-CG 3.46Å; K436-Q439 PolarHBondContact O-N 3.22Å; K436-Q439 VanDerWaalsContact O-N 3.07Å; A437-Q439 VanDerWaalsContact C-N 3.31Å; A437-Q439 PolarHBondContact O-N 2.94Å; Q439-I441 HydrophobicContact CG-CG2 4.03Å
440V98.9Very high98.6Very high0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans-63.1134.3161.5177.30000108.9A273 S309 V419 A423 I443A273-V440 HydrophobicContact CB-CG2 4.01Å; A273-V440 WeakPolarHBondContact O-CG2 3.39Å; A273-V440 PolarHBondContact O-N 2.68Å; S309-V440 WeakPolarHBondContact CB-O 3.37Å; S309-V440 PolarHBondContact OG-O 3.26Å; V419-V440 HydrophobicContact CG1-CG2 4.22Å; A423-V440 HydrophobicContact CB-CG2 3.91Å; V440-I443 HydrophobicContact CG1-CB 3.97Å; V440-I443 HydrophobicContact CG1-CG2 4.23Å
441I98.9Very high98.6Very high1 Ų123.4 Ų23.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-118.9-18.917363.4167.5000112.5Y434 K436 Q439 A461 W464 L530 V533Y434-I441 WeakPolarHBondContact O-CG1 3.24Å; Y434-I441 PolarHBondContact O-N 3.17Å; K436-I441 HydrophobicContact CB-CD1 3.97Å; K436-I441 HydrophobicContact CB-CG2 4.08Å; Q439-I441 HydrophobicContact CG-CG2 4.03Å; I441-A461 HydrophobicContact CD1-CB 4.01Å; I441-A461 HydrophobicContact CG1-CB 3.99Å; I441-A461 WeakPolarHBondContact O-CA 3.46Å; I441-W464 HydrophobicContact CB-CD2 3.74Å; I441-W464 HydrophobicContact CB-CE3 3.83Å; I441-W464 HydrophobicContact CB-CG 4.06Å; I441-W464 HydrophobicContact CB-CZ3 4.37Å; I441-W464 HydrophobicContact CD1-CE3 4.14Å; I441-W464 HydrophobicContact CD1-CZ3 4.24Å; I441-W464 HydrophobicContact CG2-CD2 3.66Å; I441-W464 HydrophobicContact CG2-CE3 3.8Å; I441-W464 HydrophobicContact CG2-CG 4.33Å; I441-W464 HydrophobicContact CG2-CH2 3.9Å; I441-W464 HydrophobicContact CG2-CZ2 3.73Å; I441-W464 HydrophobicContact CG2-CZ3 3.92Å; I441-W464 WeakPolarHBondContact O-CB 3.29Å; I441-L530 HydrophobicContact CD1-CD2 4.43Å; I441-V533 HydrophobicContact CD1-CG1 3.93Å; I441-V533 HydrophobicContact CD1-CG2 4.04Å
442G98.8Very high98.6Very high3 Ų328.1 Ų28.13%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-161.2132.6173.300000111.1C433 Y434 A457C433-G442 CarbonylContact C-O 3.59Å; Y434-G442 PolarHBondContact N-O 3.45Å; Y434-G442 PolarHBondContact O-N 2.78Å; G442-A457 WeakPolarHBondContact CA-O 3.33Å
443I98.8Very high98.6Very high7 Ų728.1 Ų28.14%0.03616%0.157CC..EExtended strand (participates in β ladder)trans-142.1133.3-178.1-164.1171.6000112P270 A423 T427 V432 C433 V440 K460P270-I443 HydrophobicContact CG-CD1 3.9Å; P270-I443 WeakPolarHBondContact O-CG2 3.38Å; A423-I443 HydrophobicContact CB-CD1 4.26Å; T427-I443 HydrophobicContact CG2-CD1 4.08Å; T427-I443 HydrophobicContact CG2-CG1 4.38Å; T427-I443 VanDerWaalsContact OG1-CD1 3.26Å; T427-I443 WeakPolarHBondContact OG1-CD1 3.06Å; V432-I443 WeakPolarHBondContact O-CA 3.23Å; C433-I443 HydrophobicContact CB-CD1 4.14Å; C433-I443 HydrophobicContact CB-CG1 4.02Å; V440-I443 HydrophobicContact CG1-CB 3.97Å; V440-I443 HydrophobicContact CG1-CG2 4.23Å; I443-K460 WeakPolarHBondContact O-CD 3.45Å; I443-K460 PolarHBondContact O-NZ 3.5Å
444G98.6Very high98.6Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-105.1138.1173.300000110.7S431 V432S431-G444 WeakPolarHBondContact CA-O 3.27Å; S431-G444 VanDerWaalsContact CB-O 3.29Å; S431-G444 WeakPolarHBondContact CB-O 3.31Å; V432-G444 PolarHBondContact N-O 2.9Å; V432-G444 PolarHBondContact O-N 2.89Å
445A98.6Very high98.6Very high36 Ų3633.3 Ų33.330%0.29818%0.177SC..  trans-137.9148.8-177.100000110.6T427 Q428 Q447T427-A445 HydrophobicContact CG2-CB 3.39Å; Q428-A445 CarbonylContact O-C 3.59Å; Q428-A445 WeakPolarHBondContact O-CA 3.16Å; A445-Q447 PolarHBondContact O-N 3.31Å; A445-Q447 PolarHBondContact O-NE2 2.93Å; A445-Q447 VanDerWaalsContact O-NE2 3.07Å
446G97.9Very high98.6Very high45 Ų4536.2 Ų36.246%0.46419%0.192SC..SBendtrans64.917.9173.400000114.6Q428 S429Q428-G446 PolarHBondContact O-N 3.14Å; S429-G446 WeakPolarHBondContact O-CA 3.29Å
447Q98.3Very high98.6Very high63 Ų6333.9 Ų33.929%0.29418%0.182SC..  trans-86.6152.8-175.8-62.2-53.9-56.600111.5N430 A445 C453 L456N430-Q447 WeakPolarHBondContact CB-O 3.39Å; N430-Q447 PolarHBondContact N-O 3.31Å; N430-Q447 PolarHBondContact O-N 3Å; A445-Q447 PolarHBondContact O-N 3.31Å; A445-Q447 PolarHBondContact O-NE2 2.93Å; A445-Q447 VanDerWaalsContact O-NE2 3.07Å; Q447-C453 HydrophobicContact CB-CB 3.65Å; Q447-C453 HydrophobicContact CG-CB 3.99Å; Q447-L456 HydrophobicContact CG-CD1 4.44Å
448Q98.1Very high98.6Very high190 Ų19033 Ų3389%0.88817%0.174SC*.SBendtrans-99.1-32.1-176.7-62.7167.1-35.200112.5
449S98.2Very high98.6Very high41 Ų4136.9 Ų36.929%0.28720%0.195SC..SBendtrans-104.1130.5179.3166.90000110.7I451 H452 C453S449-I451 PolarHBondContact O-N 2.93Å; S449-I451 WeakPolarHBondContact OG-CG2 3.45Å; S449-H452 PolarHBondContact O-N 2.81Å; S449-C453 PolarHBondContact O-N 2.75Å
450R98.4Very high98.6Very high17 Ų1740 Ų406%0.06421%0.208CC..Hα-helixtrans-58.8-48.3-178.5-176.356.556.1-167.6-6.6112S431 H452 C453 M454 S537 D538 A539 F541 P542S431-R450 PolarHBondContact O-NH1 2.99Å; R450-H452 VanDerWaalsContact C-N 3.32Å; R450-H452 PolarHBondContact O-N 3.48Å; R450-C453 WeakPolarHBondContact O-CB 3.28Å; R450-C453 PolarHBondContact O-N 3.49Å; R450-M454 WeakPolarHBondContact O-CB 3.2Å; R450-M454 PolarHBondContact O-N 2.61Å; R450-S537 PolarHBondContact NH1-OG 2.92Å; R450-D538 IonicContact CZ-OD1 3.55Å; R450-D538 IonicContact NH1-OD1 3.42Å; R450-D538 PolarHBondContact NH1-OD1 2.92Å; R450-D538 IonicContact NH2-OD1 2.6Å; R450-D538 PolarHBondContact NH2-OD1 3.41Å; R450-A539 VanDerWaalsContact NH2-CB 3.33Å; R450-F541 HydrophobicContact CG-CD1 3.84Å; R450-F541 HydrophobicContact CG-CE1 4.31Å; R450-P542 HydrophobicContact CB-CG 4.31Å
451I98.5Very high98.6Very high19 Ų1940 Ų4010%0.09721%0.208CC..Hα-helixtrans-67.2-33.2179.5-177.159.8000112.2S449 M454 R455 D545 N546 R549S449-I451 PolarHBondContact O-N 2.93Å; S449-I451 WeakPolarHBondContact OG-CG2 3.45Å; I451-M454 HydrophobicContact CD1-CB 4.43Å; I451-M454 PolarHBondContact O-N 3.06Å; I451-R455 HydrophobicContact CD1-CG 4.33Å; I451-R455 HydrophobicContact CG1-CG 4.47Å; I451-R455 WeakPolarHBondContact O-CB 3.29Å; I451-R455 VanDerWaalsContact O-CG 3.24Å; I451-R455 WeakPolarHBondContact O-CG 3.34Å; I451-R455 PolarHBondContact O-N 2.6Å; I451-D545 HydrophobicContact CD1-CB 4.1Å; I451-D545 WeakPolarHBondContact CD1-O 3.43Å; I451-D545 WeakPolarHBondContact CG1-OD2 3.46Å; I451-N546 VanDerWaalsContact CA-OD1 3.31Å; I451-N546 WeakPolarHBondContact CA-OD1 3.48Å; I451-N546 PolarHBondContact N-OD1 3.01Å; I451-R549 HydrophobicContact CD1-CB 4.33Å
452H98.6Very high98.6Very high100 Ų10040.7 Ų40.746%0.46321%0.213SC..Hα-helixtrans-69.1-39.8174-65.8167.3000111.6S449 R450 M454 R455 L456S449-H452 PolarHBondContact O-N 2.81Å; R450-H452 VanDerWaalsContact C-N 3.32Å; R450-H452 PolarHBondContact O-N 3.48Å; H452-M454 VanDerWaalsContact C-N 3.34Å; H452-R455 PolarHBondContact O-N 3.46Å; H452-L456 VanDerWaalsContact O-CB 3.31Å; H452-L456 WeakPolarHBondContact O-CB 3.45Å; H452-L456 PolarHBondContact O-N 3.49Å
453C98.8Very high98.6Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-61.3-44.3172.4-161.30000111.5N430 V432 Q447 S449 R450 R455 L456 A457N430-C453 PolarHBondContact O-SG 3.33Å; V432-C453 HydrophobicContact CG2-CB 4.1Å; V432-C453 PolarHBondContact N-SG 2.82Å; Q447-C453 HydrophobicContact CB-CB 3.65Å; Q447-C453 HydrophobicContact CG-CB 3.99Å; S449-C453 PolarHBondContact O-N 2.75Å; R450-C453 WeakPolarHBondContact O-CB 3.28Å; R450-C453 PolarHBondContact O-N 3.49Å; C453-R455 PolarHBondContact O-N 2.86Å; C453-L456 PolarHBondContact O-N 3.34Å; C453-A457 VanDerWaalsContact O-CB 3.29Å; C453-A457 WeakPolarHBondContact O-CB 2.97Å; C453-A457 PolarHBondContact O-N 3.28Å
454M98.6Very high98.6Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-60.5-42.7176.8-171.662.7174.800112.9V432 Y434 R450 I451 H452 G458 V535 F541 N546 R549 A550V432-M454 HydrophobicContact CG1-SD 3.6Å; Y434-M454 HydrophobicContact CE1-CE 4.41Å; Y434-M454 HydrophobicContact CE2-CE 4.29Å; Y434-M454 HydrophobicContact CE2-SD 3.91Å; Y434-M454 WeakPolarHBondContact OH-CE 3.43Å; Y434-M454 PolarHBondContact OH-O 3.42Å; Y434-M454 VanDerWaalsContact OH-O 3.1Å; Y434-M454 PolarHBondContact OH-SD 3.49Å; R450-M454 WeakPolarHBondContact O-CB 3.2Å; R450-M454 PolarHBondContact O-N 2.61Å; I451-M454 HydrophobicContact CD1-CB 4.43Å; I451-M454 PolarHBondContact O-N 3.06Å; H452-M454 VanDerWaalsContact C-N 3.34Å; M454-G458 PolarHBondContact O-N 2.84Å; M454-V535 HydrophobicContact CE-CG1 4.14Å; M454-V535 HydrophobicContact CE-CG2 4.48Å; M454-V535 HydrophobicContact SD-CG1 4.28Å; M454-F541 HydrophobicContact SD-CE1 4.46Å; M454-N546 WeakPolarHBondContact CE-O 3.33Å; M454-N546 HydrophobicContact CG-CB 4.23Å; M454-R549 HydrophobicContact CG-CB 4.23Å; M454-R549 HydrophobicContact CG-CG 4.12Å; M454-A550 VanDerWaalsContact CE-CA 3.46Å; M454-A550 HydrophobicContact CE-CB 3.09Å
455R98.8Very high98.6Very high109 Ų10944.8 Ų44.841%0.41123%0.23SC..Hα-helixtrans-66-51.6176-72.9169.3-173.6165.46.1111.2I451 H452 C453 A457 G458 D459 R549I451-R455 HydrophobicContact CD1-CG 4.33Å; I451-R455 HydrophobicContact CG1-CG 4.47Å; I451-R455 WeakPolarHBondContact O-CB 3.29Å; I451-R455 VanDerWaalsContact O-CG 3.24Å; I451-R455 WeakPolarHBondContact O-CG 3.34Å; I451-R455 PolarHBondContact O-N 2.6Å; H452-R455 PolarHBondContact O-N 3.46Å; C453-R455 PolarHBondContact O-N 2.86Å; R455-A457 PolarHBondContact O-N 3.02Å; R455-G458 CarbonylContact O-C 3.56Å; R455-G458 PolarHBondContact O-N 2.77Å; R455-G458 VanDerWaalsContact O-N 3.11Å; R455-D459 PolarHBondContact O-N 3.33Å; R455-R549 HydrophobicContact CG-CG 3.96Å
456L98.8Very high98.6Very high60 Ų6043.3 Ų43.331%0.31422%0.217SC..Hα-helixtrans-58.9-46.2-179.3-176.3156.9000111.8Q447 H452 C453 G458 D459 K460Q447-L456 HydrophobicContact CG-CD1 4.44Å; H452-L456 VanDerWaalsContact O-CB 3.31Å; H452-L456 WeakPolarHBondContact O-CB 3.45Å; H452-L456 PolarHBondContact O-N 3.49Å; C453-L456 PolarHBondContact O-N 3.34Å; L456-G458 VanDerWaalsContact C-N 3.34Å; L456-D459 PolarHBondContact O-N 3.37Å; L456-K460 HydrophobicContact CD2-CD 4.34Å; L456-K460 PolarHBondContact O-N 2.94Å
457A98.8Very high98.6Very high0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-65.1-39176.700000111.9V432 Y434 G442 C453 R455 K460 A461V432-A457 HydrophobicContact CB-CB 4.26Å; V432-A457 HydrophobicContact CG1-CB 4.22Å; V432-A457 WeakPolarHBondContact O-CB 3.46Å; Y434-A457 HydrophobicContact CD2-CB 3.74Å; Y434-A457 HydrophobicContact CE2-CB 3.69Å; G442-A457 WeakPolarHBondContact CA-O 3.33Å; C453-A457 VanDerWaalsContact O-CB 3.29Å; C453-A457 WeakPolarHBondContact O-CB 2.97Å; C453-A457 PolarHBondContact O-N 3.28Å; R455-A457 PolarHBondContact O-N 3.02Å; A457-K460 PolarHBondContact O-N 3.2Å; A457-A461 PolarHBondContact O-N 3.28Å; A457-A461 VanDerWaalsContact O-N 3.11Å
458G98.8Very high98.6Very high0 Ų039.5 Ų39.50%019%0.187CC..Hα-helixtrans-65.2-41.9175.300000112.8M454 R455 L456 K460 A461 D462 R549M454-G458 PolarHBondContact O-N 2.84Å; R455-G458 CarbonylContact O-C 3.56Å; R455-G458 PolarHBondContact O-N 2.77Å; R455-G458 VanDerWaalsContact O-N 3.11Å; L456-G458 VanDerWaalsContact C-N 3.34Å; G458-K460 VanDerWaalsContact C-N 3.25Å; G458-K460 PolarHBondContact O-N 3.1Å; G458-A461 WeakPolarHBondContact O-CA 3.07Å; G458-A461 WeakPolarHBondContact O-CB 3.34Å; G458-A461 PolarHBondContact O-N 3.04Å; G458-D462 VanDerWaalsContact O-CG 3.23Å; G458-D462 PolarHBondContact O-N 3.11Å; G458-R549 PolarHBondContact O-NH2 3.23Å
459D98.6Very high98.6Very high82 Ų8231.6 Ų31.644%0.43915%0.15SC..Hα-helixtrans-65.3-34.3180-62.3-14.1000110.4R455 L456 D462 N463 R549R455-D459 PolarHBondContact O-N 3.33Å; L456-D459 PolarHBondContact O-N 3.37Å; D459-D462 PolarHBondContact O-N 3.45Å; D459-N463 PolarHBondContact O-N 3.32Å; D459-R549 IonicContact OD1-CZ 3.68Å; D459-R549 IonicContact OD1-NE 3.57Å; D459-R549 IonicContact OD1-NH2 3.65Å; D459-R549 PolarHBondContact OD1-NH2 3.27Å
460K98.8Very high98.6Very high66 Ų6633.2 Ų33.229%0.28716%0.159SC..Hα-helixtrans-64.3-42169.8-72.2-173.6174.6-162.10112.7D310 I443 L456 A457 G458 D462 N463 W464D310-K460 IonicContact OD2-NZ 3.35Å; I443-K460 WeakPolarHBondContact O-CD 3.45Å; I443-K460 PolarHBondContact O-NZ 3.5Å; L456-K460 HydrophobicContact CD2-CD 4.34Å; L456-K460 PolarHBondContact O-N 2.94Å; A457-K460 PolarHBondContact O-N 3.2Å; G458-K460 VanDerWaalsContact C-N 3.25Å; G458-K460 PolarHBondContact O-N 3.1Å; K460-D462 VanDerWaalsContact C-N 3.32Å; K460-N463 PolarHBondContact O-N 3.31Å; K460-W464 WeakPolarHBondContact O-CB 3.41Å; K460-W464 PolarHBondContact O-N 3.3Å
461A98.8Very high98.6Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-63.4-39.3175.400000111.7Y434 I441 A457 G458 W464 W465Y434-A461 HydrophobicContact CD1-CB 4.25Å; Y434-A461 HydrophobicContact CG-CB 4.2Å; I441-A461 HydrophobicContact CD1-CB 4.01Å; I441-A461 HydrophobicContact CG1-CB 3.99Å; I441-A461 WeakPolarHBondContact O-CA 3.46Å; A457-A461 PolarHBondContact O-N 3.28Å; A457-A461 VanDerWaalsContact O-N 3.11Å; G458-A461 WeakPolarHBondContact O-CA 3.07Å; G458-A461 WeakPolarHBondContact O-CB 3.34Å; G458-A461 PolarHBondContact O-N 3.04Å; A461-W464 PolarHBondContact O-N 2.75Å; A461-W465 PolarHBondContact O-N 3.08Å
462D98.8Very high98.5Very high17 Ų1734.2 Ų34.29%0.09116%0.162CC..Hα-helixtrans-64.1-44.4176.1-63.9-24.1000111G458 D459 K460 W465 L466 I527 R549 S553G458-D462 VanDerWaalsContact O-CG 3.23Å; G458-D462 PolarHBondContact O-N 3.11Å; D459-D462 PolarHBondContact O-N 3.45Å; K460-D462 VanDerWaalsContact C-N 3.32Å; D462-W465 PolarHBondContact O-N 3.43Å; D462-L466 WeakPolarHBondContact O-CG 3.4Å; D462-L466 PolarHBondContact O-N 3.49Å; D462-I527 HydrophobicContact CB-CD1 3.89Å; D462-I527 HydrophobicContact CB-CG1 4.14Å; D462-I527 HydrophobicContact CB-CG2 4.46Å; D462-I527 WeakPolarHBondContact OD1-CG2 3.33Å; D462-R549 IonicContact OD2-CZ 2.91Å; D462-R549 IonicContact OD2-NH1 2.79Å; D462-R549 IonicContact OD2-NH2 2.86Å; D462-R549 PolarHBondContact OD2-NH2 3.07Å; D462-S553 VanDerWaalsContact CG-OG 3.28Å; D462-S553 VanDerWaalsContact OD1-CB 3.3Å; D462-S553 WeakPolarHBondContact OD1-CB 3.28Å; D462-S553 PolarHBondContact OD1-OG 2.82Å; D462-S553 PolarHBondContact OD2-OG 3.17Å
463N98.5Very high98.5Very high47 Ų4731.5 Ų31.525%0.25115%0.151SC..Hα-helixtrans-64.4-41.2175.1-73-14.3000112.5D459 K460 W465 L466 R467 V494D459-N463 PolarHBondContact O-N 3.32Å; K460-N463 PolarHBondContact O-N 3.31Å; N463-W465 VanDerWaalsContact C-N 3.26Å; N463-W465 PolarHBondContact O-N 2.79Å; N463-L466 PolarHBondContact O-N 2.58Å; N463-R467 WeakPolarHBondContact O-CG 3.38Å; N463-R467 PolarHBondContact O-N 3.42Å; N463-V494 HydrophobicContact CB-CG2 4.28Å
464W98.7Very high98.4Very high7 Ų735.1 Ų35.13%0.02718%0.176CC..Hα-helixtrans-57.2-43172.2173.290000110.9K436 I441 K460 A461 R467 H468 L530K436-W464 HydrophobicContact CD-CH2 4.46Å; K436-W464 HydrophobicContact CD-CZ3 4.47Å; I441-W464 HydrophobicContact CB-CD2 3.74Å; I441-W464 HydrophobicContact CB-CE3 3.83Å; I441-W464 HydrophobicContact CB-CG 4.06Å; I441-W464 HydrophobicContact CB-CZ3 4.37Å; I441-W464 HydrophobicContact CD1-CE3 4.14Å; I441-W464 HydrophobicContact CD1-CZ3 4.24Å; I441-W464 HydrophobicContact CG2-CD2 3.66Å; I441-W464 HydrophobicContact CG2-CE3 3.8Å; I441-W464 HydrophobicContact CG2-CG 4.33Å; I441-W464 HydrophobicContact CG2-CH2 3.9Å; I441-W464 HydrophobicContact CG2-CZ2 3.73Å; I441-W464 HydrophobicContact CG2-CZ3 3.92Å; I441-W464 WeakPolarHBondContact O-CB 3.29Å; K460-W464 WeakPolarHBondContact O-CB 3.41Å; K460-W464 PolarHBondContact O-N 3.3Å; A461-W464 PolarHBondContact O-N 2.75Å; W464-R467 WeakPolarHBondContact O-CB 3.37Å; W464-R467 PolarHBondContact O-N 2.95Å; W464-H468 AromaticContact CD2-CE1 3.76Å; W464-H468 AromaticContact CE2-CE1 3.39Å; W464-H468 AromaticContact CH2-CE1 3.67Å; W464-H468 AromaticContact CH2-NE2 3.95Å; W464-H468 AromaticContact CZ2-CE1 3.36Å; W464-H468 WeakPolarHBondContact CZ2-CE1 3.47Å; W464-H468 AromaticContact CZ2-NE2 3.67Å; W464-H468 AromaticContact NE1-CE1 3.9Å; W464-H468 PolarHBondContact O-CE1 3.38Å; W464-H468 PolarHBondContact O-ND1 3.32Å; W464-L530 HydrophobicContact CZ3-CD1 4.32Å
465W98.8Very high98.3Very high42 Ų4236.3 Ų36.316%0.15918%0.182CC..Hα-helixtrans-72.2-38.1179.2-175.3-121.7000113.2A461 D462 N463 R467 H468 W526 S529 L530A461-W465 PolarHBondContact O-N 3.08Å; D462-W465 PolarHBondContact O-N 3.43Å; N463-W465 VanDerWaalsContact C-N 3.26Å; N463-W465 PolarHBondContact O-N 2.79Å; W465-R467 PolarHBondContact O-N 2.73Å; W465-H468 HydrophobicContact CE3-CB 3.93Å; W465-H468 AromaticContact CE3-CG 3.77Å; W465-H468 AromaticContact CE3-ND1 3.81Å; W465-H468 HydrophobicContact CZ3-CB 3.89Å; W465-H468 AromaticContact CZ3-CG 3.82Å; W465-H468 VanDerWaalsContact O-CB 3.29Å; W465-H468 WeakPolarHBondContact O-CB 3.13Å; W465-H468 PolarHBondContact O-N 3.4Å; W465-W526 AromaticContact CD1-CD1 3.48Å; W465-W526 VanDerWaalsContact CD1-CD1 3.48Å; W465-W526 AromaticContact CD1-NE1 3.51Å; W465-W526 AromaticContact CD2-NE1 3.94Å; W465-W526 AromaticContact CE2-CE2 3.87Å; W465-W526 AromaticContact CE2-NE1 3.64Å; W465-W526 AromaticContact CG-NE1 3.9Å; W465-W526 HydrophobicContact CH2-CZ2 4.28Å; W465-W526 HydrophobicContact CZ2-CH2 4.47Å; W465-W526 AromaticContact CZ2-CZ2 3.84Å; W465-W526 HydrophobicContact CZ2-CZ2 3.84Å; W465-W526 AromaticContact NE1-CD1 3.55Å; W465-W526 AromaticContact NE1-CE2 3.8Å; W465-W526 AromaticContact NE1-NE1 3.38Å; W465-W526 PolarHBondContact NE1-O 2.81Å; W465-W526 PolarHBondContact O-NE1 2.71Å; W465-S529 PolarHBondContact NE1-OG 2.95Å; W465-L530 HydrophobicContact CB-CD2 4.09Å; W465-L530 HydrophobicContact CD2-CB 4.31Å; W465-L530 HydrophobicContact CD2-CD1 3.88Å; W465-L530 HydrophobicContact CE3-CD1 4.02Å; W465-L530 HydrophobicContact CG-CB 4.09Å; W465-L530 HydrophobicContact CG-CD1 4.16Å; W465-L530 HydrophobicContact CG-CD2 4.18Å; W465-L530 HydrophobicContact CG-CG 4.37Å
466L98.7Very high98.2Very high4 Ų436.4 Ų36.42%0.02119%0.185CC..Hα-helixtrans-60.3-27.5174.1-75.7169.1000112.7D462 N463 H468 H469 V494 L518 K523 W526 I527D462-L466 WeakPolarHBondContact O-CG 3.4Å; D462-L466 PolarHBondContact O-N 3.49Å; N463-L466 PolarHBondContact O-N 2.58Å; L466-H468 PolarHBondContact O-N 2.9Å; L466-H469 WeakPolarHBondContact O-CB 3.49Å; L466-H469 PolarHBondContact O-N 3.04Å; L466-V494 HydrophobicContact CB-CB 3.81Å; L466-V494 HydrophobicContact CB-CG1 3.82Å; L466-V494 HydrophobicContact CD1-CB 4.38Å; L466-L518 HydrophobicContact CD2-CD1 4.29Å; L466-K523 HydrophobicContact CD1-CD 4.11Å; L466-K523 HydrophobicContact CD1-CG 4.39Å; L466-K523 HydrophobicContact CD2-CB 4Å; L466-K523 HydrophobicContact CD2-CD 4.49Å; L466-K523 HydrophobicContact CD2-CG 3.9Å; L466-W526 HydrophobicContact CD2-CB 4.41Å; L466-W526 HydrophobicContact CD2-CG 4.46Å; L466-I527 HydrophobicContact CD1-CD1 4.21Å; L466-I527 HydrophobicContact CD2-CG1 4.33Å; L466-I527 HydrophobicContact CG-CD1 4.39Å; L466-I527 HydrophobicContact CG-CG1 4.23Å
467R98.6Very high98.1Very high19 Ų1935.2 Ų35.27%0.07218%0.178CC..THydrogen-bonded Turntrans-64.6-18.3172.7-70.3162.651.9-155.8-6.6113.6V286 G308 S309 N463 W464 W465 H469 V472 I490 V494V286-R467 HydrophobicContact CG1-CB 4.04Å; V286-R467 WeakPolarHBondContact CG2-O 3.18Å; V286-R467 PolarHBondContact O-NH2 3.11Å; G308-R467 VanDerWaalsContact O-CZ 3.3Å; G308-R467 PolarHBondContact O-NH1 3.4Å; G308-R467 PolarHBondContact O-NH2 3.01Å; S309-R467 PolarHBondContact O-NH1 2.79Å; N463-R467 WeakPolarHBondContact O-CG 3.38Å; N463-R467 PolarHBondContact O-N 3.42Å; W464-R467 WeakPolarHBondContact O-CB 3.37Å; W464-R467 PolarHBondContact O-N 2.95Å; W465-R467 PolarHBondContact O-N 2.73Å; R467-H469 VanDerWaalsContact C-N 3.34Å; R467-V472 WeakPolarHBondContact O-CG1 3.46Å; R467-I490 HydrophobicContact CG-CG2 3.83Å; R467-V494 HydrophobicContact CG-CG1 4.15Å; R467-V494 HydrophobicContact CG-CG2 4.16Å
468H98.6Very high98Very high10 Ų1041.1 Ų41.15%0.04620%0.2CC..THydrogen-bonded Turntrans-86.6-5.7174-59.671.5000112.5V286 W464 W465 L466 L473 W526V286-H468 HydrophobicContact CG2-CB 4.5Å; W464-H468 AromaticContact CD2-CE1 3.76Å; W464-H468 AromaticContact CE2-CE1 3.39Å; W464-H468 AromaticContact CH2-CE1 3.67Å; W464-H468 AromaticContact CH2-NE2 3.95Å; W464-H468 AromaticContact CZ2-CE1 3.36Å; W464-H468 WeakPolarHBondContact CZ2-CE1 3.47Å; W464-H468 AromaticContact CZ2-NE2 3.67Å; W464-H468 AromaticContact NE1-CE1 3.9Å; W464-H468 PolarHBondContact O-CE1 3.38Å; W464-H468 PolarHBondContact O-ND1 3.32Å; W465-H468 HydrophobicContact CE3-CB 3.93Å; W465-H468 AromaticContact CE3-CG 3.77Å; W465-H468 AromaticContact CE3-ND1 3.81Å; W465-H468 HydrophobicContact CZ3-CB 3.89Å; W465-H468 AromaticContact CZ3-CG 3.82Å; W465-H468 VanDerWaalsContact O-CB 3.29Å; W465-H468 WeakPolarHBondContact O-CB 3.13Å; W465-H468 PolarHBondContact O-N 3.4Å; L466-H468 PolarHBondContact O-N 2.9Å; H468-L473 VanDerWaalsContact O-CD1 3.31Å; H468-L473 WeakPolarHBondContact O-CD1 3.47Å; H468-W526 HydrophobicContact CB-CZ2 4.13Å; H468-W526 WeakPolarHBondContact O-CZ2 3.38Å
469H98.6Very high97.8Very high24 Ų2447.3 Ų47.311%0.11124%0.243CC..SBendtrans-59137-179.2-173.7-85.1000110.5L466 R467 R471 V472 L473 L518 W526L466-H469 WeakPolarHBondContact O-CB 3.49Å; L466-H469 PolarHBondContact O-N 3.04Å; R467-H469 VanDerWaalsContact C-N 3.34Å; H469-R471 VanDerWaalsContact ND1-CB 3.34Å; H469-R471 WeakPolarHBondContact ND1-CB 3.36Å; H469-R471 PolarHBondContact ND1-N 3.28Å; H469-R471 VanDerWaalsContact ND1-N 3.17Å; H469-R471 PolarHBondContact O-N 3.27Å; H469-V472 HydrophobicContact CB-CG2 4.22Å; H469-V472 WeakPolarHBondContact O-CA 3.4Å; H469-V472 WeakPolarHBondContact O-CB 3.39Å; H469-V472 PolarHBondContact O-N 3.28Å; H469-L473 PolarHBondContact O-N 3.38Å; H469-L473 VanDerWaalsContact O-N 3.07Å; H469-L518 WeakPolarHBondContact CE1-CD2 3.3Å; H469-W526 HydrophobicContact CB-CD2 4.33Å; H469-W526 HydrophobicContact CB-CG 4.47Å; H469-W526 AromaticContact CD2-CD2 3.67Å; H469-W526 AromaticContact CD2-CE3 3.86Å; H469-W526 AromaticContact CD2-CG 3.73Å
470P97.8Very high97.5Very high74 Ų7446.6 Ų46.648%0.48126%0.256SS..Hα-helixtrans-52.2-38.5-175.4-30.735.7000113.9V472 L473 S474 W526P470-V472 VanDerWaalsContact C-N 3.3Å; P470-V472 PolarHBondContact O-N 3.48Å; P470-L473 PolarHBondContact O-N 3.3Å; P470-S474 WeakPolarHBondContact O-CB 3.38Å; P470-S474 PolarHBondContact O-N 2.81Å; P470-S474 PolarHBondContact O-OG 2.85Å; P470-S474 VanDerWaalsContact O-OG 3.09Å; P470-W526 HydrophobicContact CG-CH2 4.37Å; P470-W526 HydrophobicContact CG-CZ3 4.36Å
471R97.2Very high97.4Very high49 Ų4944.7 Ų44.719%0.18525%0.249CC..Hα-helixtrans-63-32176.4-162.8-179.6-60.2157.16.9113.7H469 S474 M475 P515 E516 S517 E522H469-R471 VanDerWaalsContact ND1-CB 3.34Å; H469-R471 WeakPolarHBondContact ND1-CB 3.36Å; H469-R471 PolarHBondContact ND1-N 3.28Å; H469-R471 VanDerWaalsContact ND1-N 3.17Å; H469-R471 PolarHBondContact O-N 3.27Å; R471-S474 PolarHBondContact O-OG 3.23Å; R471-M475 WeakPolarHBondContact O-CG 3.39Å; R471-P515 HydrophobicContact CG-CB 4.41Å; R471-E516 WeakPolarHBondContact CD-O 3.07Å; R471-E516 PolarHBondContact NH1-O 3.17Å; R471-S517 PolarHBondContact NH1-O 3.05Å; R471-E522 IonicContact CZ-OE1 3.77Å; R471-E522 IonicContact NH1-OE1 2.86Å; R471-E522 IonicContact NH1-OE2 2.71Å; R471-E522 IonicContact NH2-OE1 3.88Å; R471-E522 PolarHBondContact NH2-OE1 2.83Å; R471-E522 IonicContact NH2-OE2 2.74Å
472V98Very high97.1Very high9 Ų951.4 Ų51.46%0.05528%0.279CS..Hα-helixtrans-75.4-46.3174.7178.90000109.8R467 H469 P470 S474 M475 I490 F493 V494R467-V472 WeakPolarHBondContact O-CG1 3.46Å; H469-V472 HydrophobicContact CB-CG2 4.22Å; H469-V472 WeakPolarHBondContact O-CA 3.4Å; H469-V472 WeakPolarHBondContact O-CB 3.39Å; H469-V472 PolarHBondContact O-N 3.28Å; P470-V472 VanDerWaalsContact C-N 3.3Å; P470-V472 PolarHBondContact O-N 3.48Å; V472-S474 PolarHBondContact O-N 3.46Å; V472-M475 HydrophobicContact CG1-SD 4.38Å; V472-M475 HydrophobicContact CG2-CE 4.19Å; V472-M475 WeakPolarHBondContact O-CB 3.37Å; V472-M475 WeakPolarHBondContact O-CG 3.21Å; V472-M475 PolarHBondContact O-N 2.8Å; V472-M475 VanDerWaalsContact O-N 3.16Å; V472-I490 HydrophobicContact CG1-CG1 4.35Å; V472-I490 HydrophobicContact CG1-CG2 3.71Å; V472-F493 HydrophobicContact CG2-CD1 3.87Å; V472-F493 HydrophobicContact CG2-CE1 3.73Å; V472-V494 HydrophobicContact CG2-CG1 4.05Å
473L97.7Very high96.7Very high43 Ų4353.4 Ų53.423%0.22529%0.285CS..Hα-helixtrans-63.4-25.2178.8-62.7-179.2000113.3E282 K285 V286 H468 H469 P470E282-L473 HydrophobicContact CB-CD1 4.06Å; E282-L473 HydrophobicContact CG-CD1 4.04Å; K285-L473 HydrophobicContact CB-CD2 4.05Å; V286-L473 HydrophobicContact CG2-CD2 3.71Å; H468-L473 VanDerWaalsContact O-CD1 3.31Å; H468-L473 WeakPolarHBondContact O-CD1 3.47Å; H469-L473 PolarHBondContact O-N 3.38Å; H469-L473 VanDerWaalsContact O-N 3.07Å; P470-L473 PolarHBondContact O-N 3.3Å
474S96.7Very high96.3Very high76 Ų7653.5 Ų53.553%0.53129%0.292SS..THydrogen-bonded Turntrans-93.74.7178.670.90000114.6P470 R471 V472 K476P470-S474 WeakPolarHBondContact O-CB 3.38Å; P470-S474 PolarHBondContact O-N 2.81Å; P470-S474 PolarHBondContact O-OG 2.85Å; P470-S474 VanDerWaalsContact O-OG 3.09Å; R471-S474 PolarHBondContact O-OG 3.23Å; V472-S474 PolarHBondContact O-N 3.46Å; S474-K476 PolarHBondContact O-N 3.25Å
475M97.3Very high96.1Very high24 Ų2456.8 Ų56.812%0.11831%0.308CS..  trans-60.4134.7-179.8-74.5-179.7174.500111.7R471 V472 F477 I490 F493 Y511 P515R471-M475 WeakPolarHBondContact O-CG 3.39Å; V472-M475 HydrophobicContact CG1-SD 4.38Å; V472-M475 HydrophobicContact CG2-CE 4.19Å; V472-M475 WeakPolarHBondContact O-CB 3.37Å; V472-M475 WeakPolarHBondContact O-CG 3.21Å; V472-M475 PolarHBondContact O-N 2.8Å; V472-M475 VanDerWaalsContact O-N 3.16Å; M475-F477 HydrophobicContact CB-CD2 4.41Å; M475-F477 HydrophobicContact CB-CE2 3.89Å; M475-F477 HydrophobicContact SD-CE2 4.38Å; M475-F477 HydrophobicContact SD-CZ 4.22Å; M475-I490 HydrophobicContact SD-CG1 3.91Å; M475-F493 HydrophobicContact CE-CB 4.15Å; M475-F493 HydrophobicContact CE-CD1 3.42Å; M475-F493 VanDerWaalsContact CE-CD1 3.42Å; M475-F493 HydrophobicContact CE-CD2 3.9Å; M475-F493 HydrophobicContact CE-CE1 3.64Å; M475-F493 HydrophobicContact CE-CE2 4.08Å; M475-F493 HydrophobicContact CE-CG 3.55Å; M475-F493 HydrophobicContact CE-CZ 3.96Å; M475-Y511 HydrophobicContact CB-CE1 4.27Å; M475-Y511 HydrophobicContact CG-CE1 4.27Å; M475-Y511 HydrophobicContact SD-CE1 3.95Å; M475-P515 HydrophobicContact CE-CB 4.2Å; M475-P515 HydrophobicContact CE-CG 3.73Å; M475-P515 HydrophobicContact CG-CB 4.3Å; M475-P515 HydrophobicContact CG-CG 4.06Å; M475-P515 HydrophobicContact SD-CG 4.33Å
476K95.9Very high95.9Very high111 Ų11157 Ų5748%0.48331%0.311SS..EExtended strand (participates in β ladder)trans-110.697.9178-62.2176.6-166.9152.20110S474 Y511 D512 E513S474-K476 PolarHBondContact O-N 3.25Å; K476-Y511 WeakPolarHBondContact O-CA 3.37Å; K476-D512 HydrophobicContact CB-CB 4.31Å; K476-D512 PolarHBondContact O-N 3.38Å; K476-E513 IonicContact NZ-OE2 3.3Å; K476-E513 PolarHBondContact NZ-OE2 3.19Å
477F96.8Very high95.8Very high36 Ų3657.2 Ų57.216%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-77.2142.4174-69.2-86.3000110.7M475 V481 M486 A489 I490 M510 Y511M475-F477 HydrophobicContact CB-CD2 4.41Å; M475-F477 HydrophobicContact CB-CE2 3.89Å; M475-F477 HydrophobicContact SD-CE2 4.38Å; M475-F477 HydrophobicContact SD-CZ 4.22Å; F477-V481 HydrophobicContact CB-CB 4.44Å; F477-V481 HydrophobicContact CD1-CG1 4.16Å; F477-M486 HydrophobicContact CB-CG 4.38Å; F477-M486 HydrophobicContact CB-SD 4.47Å; F477-M486 HydrophobicContact CD1-CB 4.38Å; F477-M486 HydrophobicContact CD1-CG 3.83Å; F477-M486 HydrophobicContact CD2-CB 4.41Å; F477-M486 HydrophobicContact CD2-CG 3.98Å; F477-M486 HydrophobicContact CD2-SD 4.11Å; F477-M486 HydrophobicContact CE1-CB 4.1Å; F477-M486 HydrophobicContact CE1-CG 4.06Å; F477-M486 HydrophobicContact CE2-CB 4.14Å; F477-M486 HydrophobicContact CE2-CG 4.22Å; F477-M486 HydrophobicContact CG-CG 3.79Å; F477-M486 HydrophobicContact CG-SD 4.22Å; F477-M486 HydrophobicContact CZ-CB 3.98Å; F477-M486 HydrophobicContact CZ-CG 4.26Å; F477-A489 HydrophobicContact CE1-CB 4.04Å; F477-A489 HydrophobicContact CZ-CB 4.47Å; F477-I490 HydrophobicContact CE2-CD1 4.21Å; F477-I490 HydrophobicContact CE2-CG1 4.36Å; F477-I490 HydrophobicContact CZ-CD1 4.24Å; F477-I490 HydrophobicContact CZ-CG1 3.97Å; F477-M510 WeakPolarHBondContact CA-O 3.35Å; F477-M510 HydrophobicContact CD1-CB 4.32Å; F477-Y511 HydrophobicContact CD1-CD1 4.1Å; F477-Y511 AromaticContact CD1-CE1 3.83Å; F477-Y511 HydrophobicContact CD1-CE1 3.83Å; F477-Y511 HydrophobicContact CE1-CD1 4.07Å; F477-Y511 AromaticContact CE1-CE1 3.32Å; F477-Y511 HydrophobicContact CE1-CE1 3.32Å; F477-Y511 HydrophobicContact CE1-CE2 4.49Å; F477-Y511 AromaticContact CE1-CZ 3.58Å; F477-Y511 HydrophobicContact CE2-CE1 4.12Å; F477-Y511 HydrophobicContact CG-CE1 4.42Å; F477-Y511 HydrophobicContact CZ-CD1 4.42Å; F477-Y511 AromaticContact CZ-CE1 3.48Å; F477-Y511 HydrophobicContact CZ-CE1 3.48Å; F477-Y511 VanDerWaalsContact CZ-CE1 3.48Å; F477-Y511 AromaticContact CZ-CZ 3.94Å
478R96.7Very high95.7Very high124 Ų12459.3 Ų59.347%0.46833%0.326SS..PPolyproline II helixtrans-60.1150.1174.1-62.3-167.4179.3176.6-3.2110.8G480 V481 S509 M510 Y511 D512R478-G480 PolarHBondContact O-N 3.06Å; R478-V481 HydrophobicContact CB-CG2 4.28Å; R478-V481 WeakPolarHBondContact O-CG2 3.5Å; R478-V481 PolarHBondContact O-N 3.16Å; R478-S509 VanDerWaalsContact CD-O 3.24Å; R478-S509 WeakPolarHBondContact CD-O 3.44Å; R478-S509 VanDerWaalsContact CZ-O 3.32Å; R478-S509 PolarHBondContact NE-O 3.24Å; R478-S509 PolarHBondContact NH1-O 2.7Å; R478-M510 PolarHBondContact N-O 3.45Å; R478-Y511 VanDerWaalsContact CG-C 3.43Å; R478-Y511 WeakPolarHBondContact CG-O 3.48Å; R478-Y511 PolarHBondContact NE-O 2.77Å; R478-D512 WeakPolarHBondContact CG-OD1 3Å
479S94.6Very high95.6Very high129 Ų12958.9 Ų58.990%0.90232%0.324SS*.THydrogen-bonded Turntrans-55.4130.2169.2-177.70000110.8
480G92.8Very high95.6Very high68 Ų6858.8 Ų58.870%0.70132%0.324SS*.THydrogen-bonded Turntrans101.3-14.817800000115.5R478 K482R478-G480 PolarHBondContact O-N 3.06Å; G480-K482 PolarHBondContact O-N 3.47Å
481V95.1Very high95.5Very high25 Ų2557.3 Ų57.315%0.15231%0.312CS..  trans-64.4132.5172-177.20000109.2F477 R478 E485 M486 M510F477-V481 HydrophobicContact CB-CB 4.44Å; F477-V481 HydrophobicContact CD1-CG1 4.16Å; R478-V481 HydrophobicContact CB-CG2 4.28Å; R478-V481 WeakPolarHBondContact O-CG2 3.5Å; R478-V481 PolarHBondContact O-N 3.16Å; V481-E485 HydrophobicContact CG1-CB 3.79Å; V481-M486 HydrophobicContact CB-CE 4.38Å; V481-M486 HydrophobicContact CB-CG 4.48Å; V481-M486 HydrophobicContact CG1-CG 3.77Å; V481-M486 WeakPolarHBondContact O-CE 3.44Å; V481-M510 HydrophobicContact CG2-CB 4.26Å
482K92.8Very high95.5Very high142 Ų14257.2 Ų57.262%0.61731%0.314SS*.  trans-83.4154.2-177.1-63.3175.5-177.4168.70111G480 A484 E485 M486G480-K482 PolarHBondContact O-N 3.47Å; K482-A484 VanDerWaalsContact C-N 3.25Å; K482-A484 PolarHBondContact O-N 2.97Å; K482-A484 VanDerWaalsContact O-N 3.16Å; K482-E485 HydrophobicContact CB-CG 4.29Å; K482-E485 WeakPolarHBondContact CB-OE2 3.48Å; K482-E485 PolarHBondContact N-OE2 3.04Å; K482-E485 WeakPolarHBondContact O-CA 3.33Å; K482-E485 WeakPolarHBondContact O-CB 3.38Å; K482-E485 PolarHBondContact O-N 3.02Å; K482-M486 WeakPolarHBondContact O-CG 3.3Å; K482-M486 PolarHBondContact O-N 3.31Å
483R91Very high95.5Very high58 Ų5857.1 Ų57.122%0.21931%0.313CS..Hα-helixtrans-52.7-39.5178.4-68.6169.962.7100.80.2113.7M288 R335 E336 A487M288-R483 PolarHBondContact O-NH1 3.45Å; M288-R483 PolarHBondContact O-NH2 2.67Å; R335-R483 VanDerWaalsContact NE-CZ 3.35Å; R335-R483 VanDerWaalsContact NH1-NH1 3.18Å; E336-R483 IonicContact OE1-CZ 2.93Å; E336-R483 IonicContact OE1-NE 3.53Å; E336-R483 PolarHBondContact OE1-NE 3.16Å; E336-R483 IonicContact OE1-NH2 3.6Å; E336-R483 PolarHBondContact OE1-NH2 2.74Å; R483-A487 WeakPolarHBondContact O-CB 3.47Å; R483-A487 PolarHBondContact O-N 3.35Å
484A89.9Confident95.5Very high49 Ų4955.1 Ų55.141%0.40530%0.302SS..Hα-helixtrans-67.2-38.7178.200000112.1K482 A487 N488K482-A484 VanDerWaalsContact C-N 3.25Å; K482-A484 PolarHBondContact O-N 2.97Å; K482-A484 VanDerWaalsContact O-N 3.16Å; A484-A487 PolarHBondContact O-N 3.45Å; A484-N488 PolarHBondContact O-N 3.36Å
485E94.4Very high95.4Very high76 Ų7653.1 Ų53.136%0.35529%0.288SS..Hα-helixtrans-67.7-44.2176.7-65.1163.9166.700110.4V481 K482 A487 N488 A489 M510V481-E485 HydrophobicContact CG1-CB 3.79Å; K482-E485 HydrophobicContact CB-CG 4.29Å; K482-E485 WeakPolarHBondContact CB-OE2 3.48Å; K482-E485 PolarHBondContact N-OE2 3.04Å; K482-E485 WeakPolarHBondContact O-CA 3.33Å; K482-E485 WeakPolarHBondContact O-CB 3.38Å; K482-E485 PolarHBondContact O-N 3.02Å; E485-A487 VanDerWaalsContact C-N 3.32Å; E485-A487 PolarHBondContact O-N 3.13Å; E485-N488 PolarHBondContact O-N 3.37Å; E485-A489 VanDerWaalsContact O-CB 3.31Å; E485-A489 WeakPolarHBondContact O-CB 3.37Å; E485-A489 PolarHBondContact O-N 3.47Å; E485-M510 HydrophobicContact CB-CE 3.87Å; E485-M510 HydrophobicContact CG-CE 4.35Å
486M95.6Very high95.2Very high48 Ų4857.2 Ų57.224%0.23631%0.311CS..Hα-helixtrans-58.1-44.6173.3-59.6179-152.200111.6M288 F477 V481 K482 N488 A489 I490M288-M486 HydrophobicContact CE-CB 4.34Å; F477-M486 HydrophobicContact CB-CG 4.38Å; F477-M486 HydrophobicContact CB-SD 4.47Å; F477-M486 HydrophobicContact CD1-CB 4.38Å; F477-M486 HydrophobicContact CD1-CG 3.83Å; F477-M486 HydrophobicContact CD2-CB 4.41Å; F477-M486 HydrophobicContact CD2-CG 3.98Å; F477-M486 HydrophobicContact CD2-SD 4.11Å; F477-M486 HydrophobicContact CE1-CB 4.1Å; F477-M486 HydrophobicContact CE1-CG 4.06Å; F477-M486 HydrophobicContact CE2-CB 4.14Å; F477-M486 HydrophobicContact CE2-CG 4.22Å; F477-M486 HydrophobicContact CG-CG 3.79Å; F477-M486 HydrophobicContact CG-SD 4.22Å; F477-M486 HydrophobicContact CZ-CB 3.98Å; F477-M486 HydrophobicContact CZ-CG 4.26Å; V481-M486 HydrophobicContact CB-CE 4.38Å; V481-M486 HydrophobicContact CB-CG 4.48Å; V481-M486 HydrophobicContact CG1-CG 3.77Å; V481-M486 WeakPolarHBondContact O-CE 3.44Å; K482-M486 WeakPolarHBondContact O-CG 3.3Å; K482-M486 PolarHBondContact O-N 3.31Å; M486-N488 VanDerWaalsContact C-N 3.35Å; M486-N488 PolarHBondContact O-N 3.16Å; M486-A489 PolarHBondContact O-N 2.93Å; M486-I490 WeakPolarHBondContact O-CB 3.43Å; M486-I490 VanDerWaalsContact O-CG1 3.28Å; M486-I490 WeakPolarHBondContact O-CG1 3.43Å; M486-I490 PolarHBondContact O-N 3.34Å
487A95.2Very high95.2Very high7 Ų755.8 Ų55.86%0.05831%0.311CS..Hα-helixtrans-63.2-42.2-179.600000111.8M288 R311 M312 R483 A484 E485 D491M288-A487 VanDerWaalsContact CE-CA 3.46Å; M288-A487 HydrophobicContact CE-CB 3.63Å; M288-A487 HydrophobicContact SD-CB 3.98Å; R311-A487 HydrophobicContact CB-CB 4.33Å; M312-A487 HydrophobicContact CE-CB 3.69Å; R483-A487 WeakPolarHBondContact O-CB 3.47Å; R483-A487 PolarHBondContact O-N 3.35Å; A484-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact C-N 3.32Å; E485-A487 PolarHBondContact O-N 3.13Å; A487-D491 WeakPolarHBondContact O-CB 3.36Å; A487-D491 PolarHBondContact O-N 3.23Å
488N96.3Very high95.1Very high64 Ų6455.1 Ų55.134%0.34231%0.31SS..Hα-helixtrans-67.5-42.4176.8-174.8-104.6000111.8M312 A484 E485 M486 I490 D491 Q492M312-N488 HydrophobicContact CE-CB 4.18Å; M312-N488 HydrophobicContact SD-CB 3.98Å; M312-N488 PolarHBondContact SD-ND2 3.45Å; M312-N488 VanDerWaalsContact SD-ND2 3.41Å; A484-N488 PolarHBondContact O-N 3.36Å; E485-N488 PolarHBondContact O-N 3.37Å; M486-N488 VanDerWaalsContact C-N 3.35Å; M486-N488 PolarHBondContact O-N 3.16Å; N488-I490 VanDerWaalsContact C-N 3.34Å; N488-I490 PolarHBondContact O-N 3.37Å; N488-D491 PolarHBondContact O-N 3.22Å; N488-Q492 WeakPolarHBondContact O-CB 3.31Å; N488-Q492 VanDerWaalsContact O-CG 3.32Å; N488-Q492 WeakPolarHBondContact O-CG 3.48Å; N488-Q492 PolarHBondContact O-N 2.85Å; N488-Q492 PolarHBondContact OD1-NE2 3.37Å
489A97.3Very high94.9Very high0 Ų051.2 Ų51.20%031%0.308CS..Hα-helixtrans-64-38.2178.700000112.6F477 E485 M486 F493 W507 M510 Y511F477-A489 HydrophobicContact CE1-CB 4.04Å; F477-A489 HydrophobicContact CZ-CB 4.47Å; E485-A489 VanDerWaalsContact O-CB 3.31Å; E485-A489 WeakPolarHBondContact O-CB 3.37Å; E485-A489 PolarHBondContact O-N 3.47Å; M486-A489 PolarHBondContact O-N 2.93Å; A489-F493 WeakPolarHBondContact O-CB 3.5Å; A489-F493 PolarHBondContact O-N 3.23Å; A489-F493 VanDerWaalsContact O-N 3.12Å; A489-W507 PolarHBondContact O-NE1 2.83Å; A489-M510 HydrophobicContact CB-SD 3.83Å; A489-Y511 WeakPolarHBondContact CB-OH 3.39Å
490I97.9Very high94.9Very high22 Ų2252.9 Ų52.911%0.11330%0.302CS..Hα-helixtrans-67.2-45.4173.4-70.3166.6000110.8M288 R467 V472 M475 F477 M486 N488 F493 V494M288-I490 HydrophobicContact CE-CD1 3.82Å; R467-I490 HydrophobicContact CG-CG2 3.83Å; V472-I490 HydrophobicContact CG1-CG1 4.35Å; V472-I490 HydrophobicContact CG1-CG2 3.71Å; M475-I490 HydrophobicContact SD-CG1 3.91Å; F477-I490 HydrophobicContact CE2-CD1 4.21Å; F477-I490 HydrophobicContact CE2-CG1 4.36Å; F477-I490 HydrophobicContact CZ-CD1 4.24Å; F477-I490 HydrophobicContact CZ-CG1 3.97Å; M486-I490 WeakPolarHBondContact O-CB 3.43Å; M486-I490 VanDerWaalsContact O-CG1 3.28Å; M486-I490 WeakPolarHBondContact O-CG1 3.43Å; M486-I490 PolarHBondContact O-N 3.34Å; N488-I490 VanDerWaalsContact C-N 3.34Å; N488-I490 PolarHBondContact O-N 3.37Å; I490-F493 WeakPolarHBondContact O-CB 3.41Å; I490-F493 PolarHBondContact O-N 3.27Å; I490-V494 PolarHBondContact O-N 3.49Å
491D96.6Very high95Very high43 Ų4352.1 Ų52.123%0.2329%0.294CS..Hα-helixtrans-57.4-52.7178.5-172.571.6000110.6M312 A487 N488 F493 V494 S495M312-D491 HydrophobicContact CG-CB 3.98Å; M312-D491 WeakPolarHBondContact CG-OD2 3.35Å; A487-D491 WeakPolarHBondContact O-CB 3.36Å; A487-D491 PolarHBondContact O-N 3.23Å; N488-D491 PolarHBondContact O-N 3.22Å; D491-F493 PolarHBondContact O-N 3.07Å; D491-V494 VanDerWaalsContact O-CG2 3.26Å; D491-V494 WeakPolarHBondContact O-CG2 3.48Å; D491-V494 PolarHBondContact O-N 2.6Å; D491-V494 VanDerWaalsContact O-N 3.14Å; D491-S495 PolarHBondContact O-N 3.33Å; D491-S495 PolarHBondContact O-OG 2.9Å
492Q97Very high95Very high48 Ų4855.9 Ų55.922%0.22432%0.319CS..Hα-helixtrans-55.9-38.7176.3-73.1175.6-29.500113.3N488 D496 T497 V498N488-Q492 WeakPolarHBondContact O-CB 3.31Å; N488-Q492 VanDerWaalsContact O-CG 3.32Å; N488-Q492 WeakPolarHBondContact O-CG 3.48Å; N488-Q492 PolarHBondContact O-N 2.85Å; N488-Q492 PolarHBondContact OD1-NE2 3.37Å; Q492-D496 PolarHBondContact O-N 2.97Å; Q492-D496 VanDerWaalsContact O-N 3.15Å; Q492-T497 WeakPolarHBondContact CA-OG1 3.43Å; Q492-T497 PolarHBondContact O-N 3.16Å; Q492-V498 HydrophobicContact CB-CG2 3.86Å
493F97.6Very high95.1Very high7 Ų754 Ų543%0.03132%0.316CS..Hα-helixtrans-66.6-45178.3178.7-95.5000112.2V472 M475 A489 I490 D491 W507 P515 E516 L518V472-F493 HydrophobicContact CG2-CD1 3.87Å; V472-F493 HydrophobicContact CG2-CE1 3.73Å; M475-F493 HydrophobicContact CE-CB 4.15Å; M475-F493 HydrophobicContact CE-CD1 3.42Å; M475-F493 VanDerWaalsContact CE-CD1 3.42Å; M475-F493 HydrophobicContact CE-CD2 3.9Å; M475-F493 HydrophobicContact CE-CE1 3.64Å; M475-F493 HydrophobicContact CE-CE2 4.08Å; M475-F493 HydrophobicContact CE-CG 3.55Å; M475-F493 HydrophobicContact CE-CZ 3.96Å; A489-F493 WeakPolarHBondContact O-CB 3.5Å; A489-F493 PolarHBondContact O-N 3.23Å; A489-F493 VanDerWaalsContact O-N 3.12Å; I490-F493 WeakPolarHBondContact O-CB 3.41Å; I490-F493 PolarHBondContact O-N 3.27Å; D491-F493 PolarHBondContact O-N 3.07Å; F493-W507 HydrophobicContact CB-CZ2 3.94Å; F493-W507 AromaticContact CD2-CH2 3.68Å; F493-W507 HydrophobicContact CD2-CH2 3.68Å; F493-W507 AromaticContact CD2-CZ2 3.52Å; F493-W507 HydrophobicContact CD2-CZ2 3.52Å; F493-W507 HydrophobicContact CE2-CH2 4.19Å; F493-W507 HydrophobicContact CE2-CZ2 4.43Å; F493-W507 HydrophobicContact CG-CZ2 4.12Å; F493-P515 HydrophobicContact CE2-CB 4.42Å; F493-P515 HydrophobicContact CE2-CG 4.37Å; F493-E516 WeakPolarHBondContact CZ-O 3.35Å; F493-L518 HydrophobicContact CD1-CD1 4.45Å; F493-L518 HydrophobicContact CE1-CD1 3.68Å; F493-L518 HydrophobicContact CE1-CG 3.71Å; F493-L518 HydrophobicContact CZ-CD1 4.35Å; F493-L518 HydrophobicContact CZ-CG 3.86Å
494V97.2Very high95.3Very high1 Ų154 Ų541%0.00632%0.319CS..Hα-helixtrans-75.4-30.1-178.4-60.80000112.2N463 L466 R467 V472 I490 D491 K523N463-V494 HydrophobicContact CB-CG2 4.28Å; L466-V494 HydrophobicContact CB-CB 3.81Å; L466-V494 HydrophobicContact CB-CG1 3.82Å; L466-V494 HydrophobicContact CD1-CB 4.38Å; R467-V494 HydrophobicContact CG-CG1 4.15Å; R467-V494 HydrophobicContact CG-CG2 4.16Å; V472-V494 HydrophobicContact CG2-CG1 4.05Å; I490-V494 PolarHBondContact O-N 3.49Å; D491-V494 VanDerWaalsContact O-CG2 3.26Å; D491-V494 WeakPolarHBondContact O-CG2 3.48Å; D491-V494 PolarHBondContact O-N 2.6Å; D491-V494 VanDerWaalsContact O-N 3.14Å; V494-K523 PolarHBondContact O-NZ 2.83Å
495S94.6Very high95.6Very high33 Ų3354.5 Ų54.523%0.23132%0.324CS..THydrogen-bonded Turntrans-91.92.3179.9630000115.4D491 T497D491-S495 PolarHBondContact O-N 3.33Å; D491-S495 PolarHBondContact O-OG 2.9Å; S495-T497 VanDerWaalsContact C-N 3.35Å; S495-T497 PolarHBondContact O-N 2.8Å; S495-T497 PolarHBondContact OG-OG1 2.96Å
496D94.4Very high95.7Very high111 Ų11155.2 Ų55.259%0.59433%0.333SS*.THydrogen-bonded Turntrans58.139.7-175.6-61-40.3000114.1Q492 K523Q492-D496 PolarHBondContact O-N 2.97Å; Q492-D496 VanDerWaalsContact O-N 3.15Å; D496-K523 IonicContact OD1-NZ 3.05Å; D496-K523 PolarHBondContact OD1-NZ 3.19Å; D496-K523 IonicContact OD2-NZ 2.69Å; D496-K523 PolarHBondContact OD2-NZ 3.36Å
497T95.6Very high95.8Very high80 Ų8053.4 Ų53.449%0.49132%0.324SS..  trans-120.521.1-177.557.20000113.8Q492 S495 G499Q492-T497 WeakPolarHBondContact CA-OG1 3.43Å; Q492-T497 PolarHBondContact O-N 3.16Å; S495-T497 VanDerWaalsContact C-N 3.35Å; S495-T497 PolarHBondContact O-N 2.8Å; S495-T497 PolarHBondContact OG-OG1 2.96Å; T497-G499 PolarHBondContact O-N 2.71Å
498V94.9Very high95.8Very high22 Ų2257.4 Ų57.413%0.13334%0.34CS..  trans-59.1-29.9174.1176.60000112.2Q492 D503 L504 W507Q492-V498 HydrophobicContact CB-CG2 3.86Å; V498-D503 WeakPolarHBondContact O-CB 3.35Å; V498-L504 HydrophobicContact CG1-CD1 3.71Å; V498-W507 HydrophobicContact CG1-CB 3.61Å; V498-W507 HydrophobicContact CG1-CD2 3.74Å; V498-W507 HydrophobicContact CG1-CE3 4.12Å; V498-W507 HydrophobicContact CG1-CG 3.5Å; V498-W507 HydrophobicContact CG2-CD2 4.11Å; V498-W507 HydrophobicContact CG2-CG 4.23Å; V498-W507 HydrophobicContact CG2-CZ2 4.4Å
499G92.9Very high95.9Very high42 Ų4257.1 Ų57.143%0.43334%0.343SS..  trans83.9-167.1-175.300000113.1T497T497-G499 PolarHBondContact O-N 2.71Å
500E93Very high95.9Very high164 Ų16458.8 Ų58.877%0.76635%0.351SS*.SBendtrans-128.8171-174.4-63.8-175.9-178.600111.2D503E500-D503 PolarHBondContact O-N 3.05Å; E500-D503 VanDerWaalsContact O-N 3.16Å
501G94.9Very high95.8Very high52 Ų5257.8 Ų57.854%0.53635%0.346SS..THydrogen-bonded Turntrans55.5-120.7172.800000113.3D503 L504 A505G501-D503 VanDerWaalsContact C-N 3.33Å; G501-D503 PolarHBondContact O-N 3.3Å; G501-L504 PolarHBondContact O-N 3.26Å; G501-A505 PolarHBondContact O-N 2.76Å; G501-A505 VanDerWaalsContact O-N 3.08Å
502P95.2Very high95.8Very high104 Ų10461.1 Ų61.168%0.67536%0.364SS*.Hα-helixtrans-57.7-39.4179.2-24.534.8000114.3L504 A505 V506P502-L504 PolarHBondContact O-N 3.18Å; P502-A505 WeakPolarHBondContact O-CB 3.46Å; P502-A505 PolarHBondContact O-N 3.35Å; P502-V506 WeakPolarHBondContact O-CG2 3.39Å; P502-V506 PolarHBondContact O-N 2.85Å
503D94.8Very high95.7Very high104 Ų10464.6 Ų64.656%0.55638%0.38SS*.Hα-helixtrans-65.9-43.7-177.5-63-28.7000110.4V498 E500 G501 A505 V506 W507V498-D503 WeakPolarHBondContact O-CB 3.35Å; E500-D503 PolarHBondContact O-N 3.05Å; E500-D503 VanDerWaalsContact O-N 3.16Å; G501-D503 VanDerWaalsContact C-N 3.33Å; G501-D503 PolarHBondContact O-N 3.3Å; D503-A505 VanDerWaalsContact C-N 3.31Å; D503-A505 PolarHBondContact O-N 3.09Å; D503-V506 PolarHBondContact O-N 2.86Å; D503-W507 WeakPolarHBondContact O-CB 3.15Å; D503-W507 PolarHBondContact O-N 3.4Å
504L95.9Very high95.6Very high56 Ų5667.5 Ų67.529%0.29340%0.398SS..Hα-helixtrans-62.6-38.1174.2-176.462000111.9V498 G501 P502 W507 K508V498-L504 HydrophobicContact CG1-CD1 3.71Å; G501-L504 PolarHBondContact O-N 3.26Å; P502-L504 PolarHBondContact O-N 3.18Å; L504-W507 HydrophobicContact CD1-CE3 4.35Å; L504-K508 HydrophobicContact CD1-CD 4.36Å; L504-K508 HydrophobicContact CD1-CG 4.26Å; L504-K508 HydrophobicContact CG-CD 4.12Å; L504-K508 HydrophobicContact CG-CG 4.42Å; L504-K508 WeakPolarHBondContact O-CB 3.33Å; L504-K508 WeakPolarHBondContact O-CG 3.42Å; L504-K508 PolarHBondContact O-N 3.19Å
505A95.9Very high95.5Very high60 Ų6068.2 Ų68.250%0.49640%0.403SS..Hα-helixtrans-65.6-42.4177.300000111.9G501 P502 D503 S509G501-A505 PolarHBondContact O-N 2.76Å; G501-A505 VanDerWaalsContact O-N 3.08Å; P502-A505 WeakPolarHBondContact O-CB 3.46Å; P502-A505 PolarHBondContact O-N 3.35Å; D503-A505 VanDerWaalsContact C-N 3.31Å; D503-A505 PolarHBondContact O-N 3.09Å; A505-S509 WeakPolarHBondContact O-CB 3.34Å; A505-S509 PolarHBondContact O-N 3.38Å
506V96.4Very high95.6Very high91 Ų9173.5 Ų73.555%0.55242%0.424SS*.Hα-helixtrans-62.3-49.4175.2171.60000110.3P502 D503 K508 S509P502-V506 WeakPolarHBondContact O-CG2 3.39Å; P502-V506 PolarHBondContact O-N 2.85Å; D503-V506 PolarHBondContact O-N 2.86Å; V506-K508 PolarHBondContact O-N 2.95Å; V506-S509 WeakPolarHBondContact O-CB 3.29Å; V506-S509 PolarHBondContact O-N 3.38Å; V506-S509 VanDerWaalsContact O-N 3.15Å; V506-S509 PolarHBondContact O-OG 3.34Å
507W97.4Very high95.6Very high10 Ų1072 Ų724%0.03842%0.423CS..Hα-helixtrans-59.7-47178.7-17893.8000111.6A489 F493 V498 D503 L504 S509 M510 Y511 V514 P515A489-W507 PolarHBondContact O-NE1 2.83Å; F493-W507 HydrophobicContact CB-CZ2 3.94Å; F493-W507 AromaticContact CD2-CH2 3.68Å; F493-W507 HydrophobicContact CD2-CH2 3.68Å; F493-W507 AromaticContact CD2-CZ2 3.52Å; F493-W507 HydrophobicContact CD2-CZ2 3.52Å; F493-W507 HydrophobicContact CE2-CH2 4.19Å; F493-W507 HydrophobicContact CE2-CZ2 4.43Å; F493-W507 HydrophobicContact CG-CZ2 4.12Å; V498-W507 HydrophobicContact CG1-CB 3.61Å; V498-W507 HydrophobicContact CG1-CD2 3.74Å; V498-W507 HydrophobicContact CG1-CE3 4.12Å; V498-W507 HydrophobicContact CG1-CG 3.5Å; V498-W507 HydrophobicContact CG2-CD2 4.11Å; V498-W507 HydrophobicContact CG2-CG 4.23Å; V498-W507 HydrophobicContact CG2-CZ2 4.4Å; D503-W507 WeakPolarHBondContact O-CB 3.15Å; D503-W507 PolarHBondContact O-N 3.4Å; L504-W507 HydrophobicContact CD1-CE3 4.35Å; W507-S509 PolarHBondContact O-N 2.89Å; W507-M510 WeakPolarHBondContact O-CB 3.2Å; W507-M510 PolarHBondContact O-N 2.87Å; W507-M510 VanDerWaalsContact O-N 3.13Å; W507-Y511 AromaticContact CD2-CE2 3.67Å; W507-Y511 HydrophobicContact CD2-CE2 3.67Å; W507-Y511 AromaticContact CE2-CE2 3.53Å; W507-Y511 AromaticContact CE2-CZ 3.78Å; W507-Y511 VanDerWaalsContact CE2-OH 3.24Å; W507-Y511 HydrophobicContact CE3-CD2 4.47Å; W507-Y511 AromaticContact CE3-CE2 3.9Å; W507-Y511 HydrophobicContact CE3-CE2 3.9Å; W507-Y511 HydrophobicContact CG-CE2 4.3Å; W507-Y511 AromaticContact CH2-CE2 3.91Å; W507-Y511 HydrophobicContact CH2-CE2 3.91Å; W507-Y511 AromaticContact CZ2-CE2 3.64Å; W507-Y511 HydrophobicContact CZ2-CE2 3.64Å; W507-Y511 AromaticContact CZ2-CZ 3.63Å; W507-Y511 WeakPolarHBondContact CZ2-OH 3.35Å; W507-Y511 HydrophobicContact CZ3-CD2 4.49Å; W507-Y511 HydrophobicContact CZ3-CE2 4.03Å; W507-Y511 PolarHBondContact NE1-OH 3.34Å; W507-Y511 VanDerWaalsContact O-CD2 3.23Å; W507-Y511 WeakPolarHBondContact O-CD2 3.42Å; W507-Y511 WeakPolarHBondContact O-CE2 3.42Å; W507-V514 HydrophobicContact CZ3-CG1 3.96Å; W507-P515 HydrophobicContact CH2-CG 3.72Å; W507-P515 HydrophobicContact CZ2-CG 4.26Å
508K96.8Very high95.6Very high91 Ų9168.6 Ų68.640%0.39640%0.401SS..Hα-helixtrans-59.9-33.4177-74.9-179.4176.6176.70112.9L504 V506 M510 Y511 V514L504-K508 HydrophobicContact CD1-CD 4.36Å; L504-K508 HydrophobicContact CD1-CG 4.26Å; L504-K508 HydrophobicContact CG-CD 4.12Å; L504-K508 HydrophobicContact CG-CG 4.42Å; L504-K508 WeakPolarHBondContact O-CB 3.33Å; L504-K508 WeakPolarHBondContact O-CG 3.42Å; L504-K508 PolarHBondContact O-N 3.19Å; V506-K508 PolarHBondContact O-N 2.95Å; K508-M510 PolarHBondContact O-N 3.11Å; K508-Y511 PolarHBondContact O-N 3.45Å; K508-V514 HydrophobicContact CB-CG1 4.49Å; K508-V514 HydrophobicContact CB-CG2 4Å; K508-V514 HydrophobicContact CD-CG1 4.33Å; K508-V514 HydrophobicContact CG-CG1 3.79Å; K508-V514 HydrophobicContact CG-CG2 4.15Å
509S96.5Very high95.7Very high58 Ų5871 Ų7141%0.40642%0.416SS..Hα-helixtrans-66-15.4-179.680.30000113.9R478 A505 V506 W507 Y511R478-S509 VanDerWaalsContact CD-O 3.24Å; R478-S509 WeakPolarHBondContact CD-O 3.44Å; R478-S509 VanDerWaalsContact CZ-O 3.32Å; R478-S509 PolarHBondContact NE-O 3.24Å; R478-S509 PolarHBondContact NH1-O 2.7Å; A505-S509 WeakPolarHBondContact O-CB 3.34Å; A505-S509 PolarHBondContact O-N 3.38Å; V506-S509 WeakPolarHBondContact O-CB 3.29Å; V506-S509 PolarHBondContact O-N 3.38Å; V506-S509 VanDerWaalsContact O-N 3.15Å; V506-S509 PolarHBondContact O-OG 3.34Å; W507-S509 PolarHBondContact O-N 2.89Å; S509-Y511 VanDerWaalsContact C-N 3.3Å; S509-Y511 PolarHBondContact O-N 3.12Å
510M97.5Very high95.9Very high35 Ų3573 Ų7317%0.17243%0.428CS..THydrogen-bonded Turntrans-77.6-11.9179.5-63.1-176.1156.500114F477 R478 V481 E485 A489 W507 K508F477-M510 WeakPolarHBondContact CA-O 3.35Å; F477-M510 HydrophobicContact CD1-CB 4.32Å; R478-M510 PolarHBondContact N-O 3.45Å; V481-M510 HydrophobicContact CG2-CB 4.26Å; E485-M510 HydrophobicContact CB-CE 3.87Å; E485-M510 HydrophobicContact CG-CE 4.35Å; A489-M510 HydrophobicContact CB-SD 3.83Å; W507-M510 WeakPolarHBondContact O-CB 3.2Å; W507-M510 PolarHBondContact O-N 2.87Å; W507-M510 VanDerWaalsContact O-N 3.13Å; K508-M510 PolarHBondContact O-N 3.11Å
511Y97.6Very high96.1Very high1 Ų169.7 Ų69.70%0.00442%0.419CS..EExtended strand (participates in β ladder)trans-111.4144.3-171.4-56.8-88.2000112.4M475 K476 F477 R478 A489 W507 K508 S509 E513 P515M475-Y511 HydrophobicContact CB-CE1 4.27Å; M475-Y511 HydrophobicContact CG-CE1 4.27Å; M475-Y511 HydrophobicContact SD-CE1 3.95Å; K476-Y511 WeakPolarHBondContact O-CA 3.37Å; F477-Y511 HydrophobicContact CD1-CD1 4.1Å; F477-Y511 AromaticContact CD1-CE1 3.83Å; F477-Y511 HydrophobicContact CD1-CE1 3.83Å; F477-Y511 HydrophobicContact CE1-CD1 4.07Å; F477-Y511 AromaticContact CE1-CE1 3.32Å; F477-Y511 HydrophobicContact CE1-CE1 3.32Å; F477-Y511 HydrophobicContact CE1-CE2 4.49Å; F477-Y511 AromaticContact CE1-CZ 3.58Å; F477-Y511 HydrophobicContact CE2-CE1 4.12Å; F477-Y511 HydrophobicContact CG-CE1 4.42Å; F477-Y511 HydrophobicContact CZ-CD1 4.42Å; F477-Y511 AromaticContact CZ-CE1 3.48Å; F477-Y511 HydrophobicContact CZ-CE1 3.48Å; F477-Y511 VanDerWaalsContact CZ-CE1 3.48Å; F477-Y511 AromaticContact CZ-CZ 3.94Å; R478-Y511 VanDerWaalsContact CG-C 3.43Å; R478-Y511 WeakPolarHBondContact CG-O 3.48Å; R478-Y511 PolarHBondContact NE-O 2.77Å; A489-Y511 WeakPolarHBondContact CB-OH 3.39Å; W507-Y511 AromaticContact CD2-CE2 3.67Å; W507-Y511 HydrophobicContact CD2-CE2 3.67Å; W507-Y511 AromaticContact CE2-CE2 3.53Å; W507-Y511 AromaticContact CE2-CZ 3.78Å; W507-Y511 VanDerWaalsContact CE2-OH 3.24Å; W507-Y511 HydrophobicContact CE3-CD2 4.47Å; W507-Y511 AromaticContact CE3-CE2 3.9Å; W507-Y511 HydrophobicContact CE3-CE2 3.9Å; W507-Y511 HydrophobicContact CG-CE2 4.3Å; W507-Y511 AromaticContact CH2-CE2 3.91Å; W507-Y511 HydrophobicContact CH2-CE2 3.91Å; W507-Y511 AromaticContact CZ2-CE2 3.64Å; W507-Y511 HydrophobicContact CZ2-CE2 3.64Å; W507-Y511 AromaticContact CZ2-CZ 3.63Å; W507-Y511 WeakPolarHBondContact CZ2-OH 3.35Å; W507-Y511 HydrophobicContact CZ3-CD2 4.49Å; W507-Y511 HydrophobicContact CZ3-CE2 4.03Å; W507-Y511 PolarHBondContact NE1-OH 3.34Å; W507-Y511 VanDerWaalsContact O-CD2 3.23Å; W507-Y511 WeakPolarHBondContact O-CD2 3.42Å; W507-Y511 WeakPolarHBondContact O-CE2 3.42Å; K508-Y511 PolarHBondContact O-N 3.45Å; S509-Y511 VanDerWaalsContact C-N 3.3Å; S509-Y511 PolarHBondContact O-N 3.12Å; Y511-E513 VanDerWaalsContact C-N 3.33Å; Y511-E513 WeakPolarHBondContact CB-O 3.28Å; Y511-P515 HydrophobicContact CD1-CG 4.27Å; Y511-P515 HydrophobicContact CE1-CG 4.07Å
512D95.4Very high96.2Very high114 Ų11470 Ų7061%0.6141%0.407SS*.EExtended strand (participates in β ladder)trans-70.4-38.9164.3-72.9-35.1000109.8K476 R478K476-D512 HydrophobicContact CB-CB 4.31Å; K476-D512 PolarHBondContact O-N 3.38Å; R478-D512 WeakPolarHBondContact CG-OD1 3Å
513E94.8Very high96.3Very high121 Ų12165.8 Ų65.857%0.56538%0.378SS*.EExtended strand (participates in β ladder)trans-131110.5177.2-175.6179178.900108.3K476 Y511 P515K476-E513 IonicContact NZ-OE2 3.3Å; K476-E513 PolarHBondContact NZ-OE2 3.19Å; Y511-E513 VanDerWaalsContact C-N 3.33Å; Y511-E513 WeakPolarHBondContact CB-O 3.28Å; E513-P515 WeakPolarHBondContact O-CD 3.27Å
514V96.3Very high96.5Very high67 Ų6768.3 Ų68.341%0.40638%0.384SS..PPolyproline II helixtrans-66.4119.5-177.2177.60000109.1W507 K508W507-V514 HydrophobicContact CZ3-CG1 3.96Å; K508-V514 HydrophobicContact CB-CG1 4.49Å; K508-V514 HydrophobicContact CB-CG2 4Å; K508-V514 HydrophobicContact CD-CG1 4.33Å; K508-V514 HydrophobicContact CG-CG1 3.79Å; K508-V514 HydrophobicContact CG-CG2 4.15Å
515P95.6Very high96.6Very high17 Ų1770.4 Ų70.411%0.1140%0.395CS..PPolyproline II helixtrans-73.2140-178.827.2-29.1000110.7R471 M475 F493 W507 Y511 E513R471-P515 HydrophobicContact CG-CB 4.41Å; M475-P515 HydrophobicContact CE-CB 4.2Å; M475-P515 HydrophobicContact CE-CG 3.73Å; M475-P515 HydrophobicContact CG-CB 4.3Å; M475-P515 HydrophobicContact CG-CG 4.06Å; M475-P515 HydrophobicContact SD-CG 4.33Å; F493-P515 HydrophobicContact CE2-CB 4.42Å; F493-P515 HydrophobicContact CE2-CG 4.37Å; W507-P515 HydrophobicContact CH2-CG 3.72Å; W507-P515 HydrophobicContact CZ2-CG 4.26Å; Y511-P515 HydrophobicContact CD1-CG 4.27Å; Y511-P515 HydrophobicContact CE1-CG 4.07Å; E513-P515 WeakPolarHBondContact O-CD 3.27Å
516E95Very high96.7Very high143 Ų14370.3 Ų70.367%0.66838%0.382SS*.PPolyproline II helixtrans-67.1134.3174.6-171.9179.7-169.800110.9R471 F493R471-E516 WeakPolarHBondContact CD-O 3.07Å; R471-E516 PolarHBondContact NH1-O 3.17Å; F493-E516 WeakPolarHBondContact CZ-O 3.35Å
517S94.8Very high96.8Very high81 Ų8167.4 Ų67.457%0.56636%0.363SS*.PPolyproline II helixtrans-56.2142.5176.9-59.60000111.9R471 T519R471-S517 PolarHBondContact NH1-O 3.05Å; S517-T519 PolarHBondContact O-N 3.44Å
518L96.8Very high96.8Very high8 Ų871 Ų714%0.04239%0.39CS..PPolyproline II helixtrans-75.1124.1173.4-63.3170000109.4L466 H469 F493 K523L466-L518 HydrophobicContact CD2-CD1 4.29Å; H469-L518 WeakPolarHBondContact CE1-CD2 3.3Å; F493-L518 HydrophobicContact CD1-CD1 4.45Å; F493-L518 HydrophobicContact CE1-CD1 3.68Å; F493-L518 HydrophobicContact CE1-CG 3.71Å; F493-L518 HydrophobicContact CZ-CD1 4.35Å; F493-L518 HydrophobicContact CZ-CG 3.86Å; L518-K523 HydrophobicContact CB-CD 4.3Å; L518-K523 HydrophobicContact CB-CG 3.71Å; L518-K523 HydrophobicContact CD1-CG 4.32Å
519T96.9Very high96.8Very high71 Ų7169.2 Ų69.244%0.43639%0.389SS..PPolyproline II helixtrans-67.3156.1172.964.40000110.9S517 T521 E522 K523S517-T519 PolarHBondContact O-N 3.44Å; T519-T521 PolarHBondContact O-N 3.29Å; T519-E522 WeakPolarHBondContact CB-OE2 3.44Å; T519-E522 WeakPolarHBondContact CG2-OE2 3.49Å; T519-E522 PolarHBondContact N-OE2 3.4Å; T519-E522 PolarHBondContact O-N 2.96Å; T519-E522 VanDerWaalsContact O-N 3.12Å; T519-E522 WeakPolarHBondContact OG1-CB 3.42Å; T519-E522 VanDerWaalsContact OG1-CG 3.23Å; T519-E522 WeakPolarHBondContact OG1-CG 3.48Å; T519-E522 PolarHBondContact OG1-N 3.36Å; T519-E522 PolarHBondContact OG1-OE2 2.85Å; T519-K523 WeakPolarHBondContact O-CG 3.49Å; T519-K523 PolarHBondContact O-N 2.86Å
520A96.5Very high96.9Very high84 Ų8466.6 Ų66.669%0.69437%0.371SS*.Hα-helixtrans-56.1-35.417700000112.8K524A520-K524 WeakPolarHBondContact O-CB 3.46Å; A520-K524 PolarHBondContact O-N 2.68Å
521T97.2Very high97Very high95 Ų9570.8 Ų70.858%0.58339%0.39SS*.Hα-helixtrans-68.1-45.2176.7-57.10000111.9T519 K524 N525T519-T521 PolarHBondContact O-N 3.29Å; T521-K524 PolarHBondContact O-N 3.48Å; T521-N525 WeakPolarHBondContact O-CB 3.36Å; T521-N525 PolarHBondContact O-N 3.01Å; T521-N525 PolarHBondContact O-ND2 2.66Å
522E97.5Very high97Very high60 Ų6072.5 Ų72.528%0.2840%0.404SS..Hα-helixtrans-60.6-46.6176.1-74.1167.7128.300111.2R471 T519 K524 N525 W526R471-E522 IonicContact CZ-OE1 3.77Å; R471-E522 IonicContact NH1-OE1 2.86Å; R471-E522 IonicContact NH1-OE2 2.71Å; R471-E522 IonicContact NH2-OE1 3.88Å; R471-E522 PolarHBondContact NH2-OE1 2.83Å; R471-E522 IonicContact NH2-OE2 2.74Å; T519-E522 WeakPolarHBondContact CB-OE2 3.44Å; T519-E522 WeakPolarHBondContact CG2-OE2 3.49Å; T519-E522 PolarHBondContact N-OE2 3.4Å; T519-E522 PolarHBondContact O-N 2.96Å; T519-E522 VanDerWaalsContact O-N 3.12Å; T519-E522 WeakPolarHBondContact OG1-CB 3.42Å; T519-E522 VanDerWaalsContact OG1-CG 3.23Å; T519-E522 WeakPolarHBondContact OG1-CG 3.48Å; T519-E522 PolarHBondContact OG1-N 3.36Å; T519-E522 PolarHBondContact OG1-OE2 2.85Å; E522-K524 PolarHBondContact O-N 3.35Å; E522-N525 PolarHBondContact O-N 3.25Å; E522-W526 WeakPolarHBondContact O-CB 3.45Å; E522-W526 PolarHBondContact O-N 2.75Å
523K98Very high97.1Very high15 Ų1567.1 Ų67.17%0.06538%0.375CS..Hα-helixtrans-58.1-48.2176.7-67.4-169.2-179.8-1680111.5L466 V494 D496 L518 T519 N525 W526 I527L466-K523 HydrophobicContact CD1-CD 4.11Å; L466-K523 HydrophobicContact CD1-CG 4.39Å; L466-K523 HydrophobicContact CD2-CB 4Å; L466-K523 HydrophobicContact CD2-CD 4.49Å; L466-K523 HydrophobicContact CD2-CG 3.9Å; V494-K523 PolarHBondContact O-NZ 2.83Å; D496-K523 IonicContact OD1-NZ 3.05Å; D496-K523 PolarHBondContact OD1-NZ 3.19Å; D496-K523 IonicContact OD2-NZ 2.69Å; D496-K523 PolarHBondContact OD2-NZ 3.36Å; L518-K523 HydrophobicContact CB-CD 4.3Å; L518-K523 HydrophobicContact CB-CG 3.71Å; L518-K523 HydrophobicContact CD1-CG 4.32Å; T519-K523 WeakPolarHBondContact O-CG 3.49Å; T519-K523 PolarHBondContact O-N 2.86Å; K523-N525 VanDerWaalsContact C-N 3.34Å; K523-N525 PolarHBondContact O-N 2.9Å; K523-W526 PolarHBondContact O-N 3.05Å; K523-I527 WeakPolarHBondContact O-CB 3.23Å; K523-I527 WeakPolarHBondContact O-CD1 3.43Å; K523-I527 VanDerWaalsContact O-CG1 3.23Å; K523-I527 WeakPolarHBondContact O-CG1 3.41Å; K523-I527 PolarHBondContact O-N 2.77Å
524K97.5Very high97.3Very high157 Ų15761.3 Ų61.368%0.68335%0.348SS*.Hα-helixtrans-59.9-44.5179-175-178.4178.7-175.20111.9A520 T521 E522 I527 S528A520-K524 WeakPolarHBondContact O-CB 3.46Å; A520-K524 PolarHBondContact O-N 2.68Å; T521-K524 PolarHBondContact O-N 3.48Å; E522-K524 PolarHBondContact O-N 3.35Å; K524-I527 PolarHBondContact O-N 2.96Å; K524-S528 WeakPolarHBondContact O-CB 3.37Å; K524-S528 PolarHBondContact O-N 2.87Å; K524-S528 PolarHBondContact O-OG 3.18Å
525N98Very high97.5Very high99 Ų9958.1 Ų58.153%0.52933%0.329SS..Hα-helixtrans-64.3-43.4178.3-70.3-11.4000111.1T521 E522 K523 S528 S529T521-N525 WeakPolarHBondContact O-CB 3.36Å; T521-N525 PolarHBondContact O-N 3.01Å; T521-N525 PolarHBondContact O-ND2 2.66Å; E522-N525 PolarHBondContact O-N 3.25Å; K523-N525 VanDerWaalsContact C-N 3.34Å; K523-N525 PolarHBondContact O-N 2.9Å; N525-S528 PolarHBondContact O-N 3.32Å; N525-S528 PolarHBondContact O-OG 3.35Å; N525-S529 PolarHBondContact O-N 2.96Å
526W98.4Very high97.6Very high59 Ų5957.5 Ų57.522%0.22333%0.325CS..Hα-helixtrans-64.2-46.8176.7-172.8-102.3000112.2W465 L466 H468 H469 P470 E522 K523 S528 S529W465-W526 AromaticContact CD1-CD1 3.48Å; W465-W526 VanDerWaalsContact CD1-CD1 3.48Å; W465-W526 AromaticContact CD1-NE1 3.51Å; W465-W526 AromaticContact CD2-NE1 3.94Å; W465-W526 AromaticContact CE2-CE2 3.87Å; W465-W526 AromaticContact CE2-NE1 3.64Å; W465-W526 AromaticContact CG-NE1 3.9Å; W465-W526 HydrophobicContact CH2-CZ2 4.28Å; W465-W526 HydrophobicContact CZ2-CH2 4.47Å; W465-W526 AromaticContact CZ2-CZ2 3.84Å; W465-W526 HydrophobicContact CZ2-CZ2 3.84Å; W465-W526 AromaticContact NE1-CD1 3.55Å; W465-W526 AromaticContact NE1-CE2 3.8Å; W465-W526 AromaticContact NE1-NE1 3.38Å; W465-W526 PolarHBondContact NE1-O 2.81Å; W465-W526 PolarHBondContact O-NE1 2.71Å; L466-W526 HydrophobicContact CD2-CB 4.41Å; L466-W526 HydrophobicContact CD2-CG 4.46Å; H468-W526 HydrophobicContact CB-CZ2 4.13Å; H468-W526 WeakPolarHBondContact O-CZ2 3.38Å; H469-W526 HydrophobicContact CB-CD2 4.33Å; H469-W526 HydrophobicContact CB-CG 4.47Å; H469-W526 AromaticContact CD2-CD2 3.67Å; H469-W526 AromaticContact CD2-CE3 3.86Å; H469-W526 AromaticContact CD2-CG 3.73Å; P470-W526 HydrophobicContact CG-CH2 4.37Å; P470-W526 HydrophobicContact CG-CZ3 4.36Å; E522-W526 WeakPolarHBondContact O-CB 3.45Å; E522-W526 PolarHBondContact O-N 2.75Å; K523-W526 PolarHBondContact O-N 3.05Å; W526-S528 PolarHBondContact O-N 3.41Å; W526-S529 WeakPolarHBondContact O-CB 3.47Å; W526-S529 PolarHBondContact O-N 3.06Å; W526-S529 PolarHBondContact O-OG 3.1Å
527I98.4Very high97.8Very high29 Ų2950.8 Ų50.815%0.14929%0.293CS..Hα-helixtrans-57.6-40.2176.5-68.8163.7000111.2D462 L466 K523 K524 S529 L530 R552D462-I527 HydrophobicContact CB-CD1 3.89Å; D462-I527 HydrophobicContact CB-CG1 4.14Å; D462-I527 HydrophobicContact CB-CG2 4.46Å; D462-I527 WeakPolarHBondContact OD1-CG2 3.33Å; L466-I527 HydrophobicContact CD1-CD1 4.21Å; L466-I527 HydrophobicContact CD2-CG1 4.33Å; L466-I527 HydrophobicContact CG-CD1 4.39Å; L466-I527 HydrophobicContact CG-CG1 4.23Å; K523-I527 WeakPolarHBondContact O-CB 3.23Å; K523-I527 WeakPolarHBondContact O-CD1 3.43Å; K523-I527 VanDerWaalsContact O-CG1 3.23Å; K523-I527 WeakPolarHBondContact O-CG1 3.41Å; K523-I527 PolarHBondContact O-N 2.77Å; K524-I527 PolarHBondContact O-N 2.96Å; I527-S529 PolarHBondContact O-N 3.08Å; I527-L530 WeakPolarHBondContact O-CB 3.45Å; I527-L530 PolarHBondContact O-N 3.46Å; I527-L530 VanDerWaalsContact O-N 3.12Å; I527-R552 WeakPolarHBondContact CG2-O 3.34Å
528S97Very high98Very high85 Ų8546.9 Ų46.959%0.59427%0.266SS*.THydrogen-bonded Turntrans-66.7-14.2178.674.30000115.1K524 N525 W526 L530K524-S528 WeakPolarHBondContact O-CB 3.37Å; K524-S528 PolarHBondContact O-N 2.87Å; K524-S528 PolarHBondContact O-OG 3.18Å; N525-S528 PolarHBondContact O-N 3.32Å; N525-S528 PolarHBondContact O-OG 3.35Å; W526-S528 PolarHBondContact O-N 3.41Å; S528-L530 VanDerWaalsContact C-N 3.35Å
529S98.1Very high98.1Very high55 Ų5546.8 Ų46.839%0.38527%0.266SS..THydrogen-bonded Turntrans-82.7-12.817577.80000113.2W465 N525 W526 I527 Q531W465-S529 PolarHBondContact NE1-OG 2.95Å; N525-S529 PolarHBondContact O-N 2.96Å; W526-S529 WeakPolarHBondContact O-CB 3.47Å; W526-S529 PolarHBondContact O-N 3.06Å; W526-S529 PolarHBondContact O-OG 3.1Å; I527-S529 PolarHBondContact O-N 3.08Å; S529-Q531 PolarHBondContact O-N 2.91Å
530L98.4Very high98.1Very high3 Ų345.9 Ų45.92%0.01626%0.257CS..  trans-67.6131.8173.9-174.560.1000109.8K436 I441 W464 W465 I527 S528 V533 S553 G554K436-L530 HydrophobicContact CD-CD1 3.77Å; I441-L530 HydrophobicContact CD1-CD2 4.43Å; W464-L530 HydrophobicContact CZ3-CD1 4.32Å; W465-L530 HydrophobicContact CB-CD2 4.09Å; W465-L530 HydrophobicContact CD2-CB 4.31Å; W465-L530 HydrophobicContact CD2-CD1 3.88Å; W465-L530 HydrophobicContact CE3-CD1 4.02Å; W465-L530 HydrophobicContact CG-CB 4.09Å; W465-L530 HydrophobicContact CG-CD1 4.16Å; W465-L530 HydrophobicContact CG-CD2 4.18Å; W465-L530 HydrophobicContact CG-CG 4.37Å; I527-L530 WeakPolarHBondContact O-CB 3.45Å; I527-L530 PolarHBondContact O-N 3.46Å; I527-L530 VanDerWaalsContact O-N 3.12Å; S528-L530 VanDerWaalsContact C-N 3.35Å; L530-V533 HydrophobicContact CD1-CG2 4.02Å; L530-V533 HydrophobicContact CD2-CG2 3.89Å; L530-V533 HydrophobicContact CG-CG2 3.71Å; L530-S553 WeakPolarHBondContact CD2-O 3.47Å; L530-G554 WeakPolarHBondContact O-CA 3.35Å
531Q98.1Very high98.2Very high123 Ų12342.1 Ų42.158%0.57523%0.225SC*.  trans-142.1168.9-176.9-69.1-176.6-2.500111.1K436 S529 V533 G554K436-Q531 PolarHBondContact NZ-O 2.77Å; S529-Q531 PolarHBondContact O-N 2.91Å; Q531-V533 VanDerWaalsContact C-N 3.3Å; Q531-V533 PolarHBondContact O-N 2.9Å; Q531-G554 CarbonylContact C-O 3.33Å
532A98Very high98.3Very high37 Ų3739.5 Ų39.531%0.30621%0.209SC..SBendtrans51.845.2177.300000113.4G554 E556 F557A532-G554 PolarHBondContact N-O 2.91Å; A532-E556 WeakPolarHBondContact CA-OE2 3.35Å; A532-E556 VanDerWaalsContact N-CD 3.3Å; A532-E556 PolarHBondContact N-OE1 3.43Å; A532-F557 HydrophobicContact CB-CE2 4.33Å
533V98.9Very high98.3Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-92.9138.2174.1179.60000109.8Y434 K436 I441 L530 Q531 S553 G554 V555 E556 F557Y434-V533 HydrophobicContact CD1-CG1 3.92Å; K436-V533 HydrophobicContact CB-CG2 4.49Å; K436-V533 HydrophobicContact CD-CG2 4.2Å; I441-V533 HydrophobicContact CD1-CG1 3.93Å; I441-V533 HydrophobicContact CD1-CG2 4.04Å; L530-V533 HydrophobicContact CD1-CG2 4.02Å; L530-V533 HydrophobicContact CD2-CG2 3.89Å; L530-V533 HydrophobicContact CG-CG2 3.71Å; Q531-V533 VanDerWaalsContact C-N 3.3Å; Q531-V533 PolarHBondContact O-N 2.9Å; V533-S553 WeakPolarHBondContact CG2-O 3.31Å; V533-G554 WeakPolarHBondContact CB-O 3.43Å; V533-G554 PolarHBondContact N-O 3.01Å; V533-V555 HydrophobicContact CB-CG2 4.13Å; V533-V555 HydrophobicContact CG1-CG2 3.97Å; V533-V555 WeakPolarHBondContact O-CA 3.31Å; V533-E556 PolarHBondContact O-N 3.24Å; V533-F557 PolarHBondContact O-N 2.96Å
534A98.9Very high98.3Very high0 Ų046.3 Ų46.30%024%0.236CC..EExtended strand (participates in β ladder)trans-100.2143.2173.200000110.6D416 L417 Y434 A435 F557D416-A534 HydrophobicContact CB-CB 3.64Å; L417-A534 HydrophobicContact CD2-CB 3.91Å; L417-A534 HydrophobicContact CG-CB 3.98Å; Y434-A534 CarbonylContact C-O 3.56Å; Y434-A534 WeakPolarHBondContact CA-O 3.48Å; A435-A534 PolarHBondContact N-O 2.84Å; A435-A534 PolarHBondContact O-N 2.83Å; A534-F557 CarbonylContact C-O 3.53Å; A534-F557 VanDerWaalsContact CA-O 3.3Å; A534-F557 WeakPolarHBondContact CA-O 3.45Å; A534-F557 HydrophobicContact CB-CB 4.29Å
535V98.9Very high98.4Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-127137173.9169.80000110.9L417 V432 C433 Y434 M454 V555 F557 I558 A559L417-V535 WeakPolarHBondContact CD2-O 3.34Å; V432-V535 HydrophobicContact CG1-CG1 3.92Å; C433-V535 CarbonylContact O-C 3.53Å; C433-V535 VanDerWaalsContact O-CA 3.26Å; C433-V535 WeakPolarHBondContact O-CA 3.43Å; Y434-V535 HydrophobicContact CD1-CG2 3.36Å; Y434-V535 HydrophobicContact CD2-CG2 4Å; Y434-V535 HydrophobicContact CE1-CG2 3.53Å; Y434-V535 HydrophobicContact CE2-CG2 4.12Å; Y434-V535 HydrophobicContact CG-CG2 3.62Å; M454-V535 HydrophobicContact CE-CG1 4.14Å; M454-V535 HydrophobicContact CE-CG2 4.48Å; M454-V535 HydrophobicContact SD-CG1 4.28Å; V535-V555 HydrophobicContact CB-CG1 4.3Å; V535-V555 HydrophobicContact CG2-CB 4.39Å; V535-V555 HydrophobicContact CG2-CG1 3.91Å; V535-V555 HydrophobicContact CG2-CG2 3.49Å; V535-V555 VanDerWaalsContact CG2-CG2 3.49Å; V535-F557 PolarHBondContact N-O 3.12Å; V535-I558 HydrophobicContact CB-CG1 4.29Å; V535-I558 CarbonylContact O-C 3.58Å; V535-I558 VanDerWaalsContact O-CA 3.32Å; V535-I558 WeakPolarHBondContact O-CA 3.27Å; V535-A559 PolarHBondContact O-N 3.44Å
536S98.9Very high98.4Very high3 Ų336.5 Ų36.52%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-119.1141.2166.5-169.30000111T421 V432 C433 A559T421-S536 WeakPolarHBondContact CA-OG 3.4Å; T421-S536 WeakPolarHBondContact OG1-CB 3.41Å; T421-S536 PolarHBondContact OG1-OG 3.36Å; V432-S536 WeakPolarHBondContact CA-O 3.29Å; C433-S536 PolarHBondContact N-O 3.22Å; C433-S536 PolarHBondContact O-N 3Å; S536-A559 VanDerWaalsContact CA-O 3.3Å; S536-A559 WeakPolarHBondContact CA-O 3.4Å
537S98.8Very high98.4Very high2 Ų233.7 Ų33.71%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-121.9135.8174179.20000110.3R450 A539 A559 P561R450-S537 PolarHBondContact NH1-OG 2.92Å; S537-A539 WeakPolarHBondContact CB-O 3.13Å; S537-A539 PolarHBondContact O-N 2.83Å; S537-A539 PolarHBondContact OG-O 3.21Å; S537-A559 PolarHBondContact N-O 3.14Å; S537-A559 VanDerWaalsContact N-O 3.08Å; S537-P561 WeakPolarHBondContact O-CD 3.48Å
538D98.6Very high98.4Very high0 Ų034.4 Ų34.40%019%0.185CC..SBendtrans-68.8-15.8179.168.6-8.2000114.1V424 S429 N430 S431 R450 R587 L588V424-D538 HydrophobicContact CB-CB 4.42Å; S429-D538 WeakPolarHBondContact CB-OD2 3.41Å; S429-D538 PolarHBondContact OG-OD2 2.88Å; N430-D538 WeakPolarHBondContact CA-OD2 3.37Å; S431-D538 VanDerWaalsContact N-CG 3.35Å; S431-D538 PolarHBondContact N-OD1 3.36Å; S431-D538 PolarHBondContact N-OD2 3.27Å; S431-D538 PolarHBondContact O-N 3.17Å; S431-D538 PolarHBondContact OG-OD2 2.85Å; R450-D538 IonicContact CZ-OD1 3.55Å; R450-D538 IonicContact NH1-OD1 3.42Å; R450-D538 PolarHBondContact NH1-OD1 2.92Å; R450-D538 IonicContact NH2-OD1 2.6Å; R450-D538 PolarHBondContact NH2-OD1 3.41Å; D538-R587 WeakPolarHBondContact O-CA 3.24Å; D538-L588 HydrophobicContact CB-CB 3.98Å; D538-L588 PolarHBondContact O-N 3.41Å
539A98.6Very high98.5Very high5 Ų531.4 Ų31.44%0.04116%0.16CC..SBendtrans-142.2169.5172.500000112.2R450 S537 F589R450-A539 VanDerWaalsContact NH2-CB 3.33Å; S537-A539 WeakPolarHBondContact CB-O 3.13Å; S537-A539 PolarHBondContact O-N 2.83Å; S537-A539 PolarHBondContact OG-O 3.21Å; A539-F589 HydrophobicContact CB-CE1 3.76Å; A539-F589 HydrophobicContact CB-CZ 3.78Å
540F98.3Very high98.5Very high53 Ų5328.8 Ų28.823%0.23214%0.142CC..  trans-57.9157.6179.468-96.2000112.9P542 P561 R587F540-P542 HydrophobicContact CE2-CG 4.24Å; F540-P542 WeakPolarHBondContact O-CD 3.46Å; F540-P561 WeakPolarHBondContact CA-O 3.41Å; F540-P561 WeakPolarHBondContact CB-O 3.23Å; F540-R587 VanDerWaalsContact CE1-NH2 3.33Å
541F98.6Very high98.5Very high5 Ų532.4 Ų32.42%0.02216%0.157CC..  trans-88.3120.9173.4-65.1-61.3000110.8R450 M454 F543 N546 I547 I558 A560 S564 V570R450-F541 HydrophobicContact CG-CD1 3.84Å; R450-F541 HydrophobicContact CG-CE1 4.31Å; M454-F541 HydrophobicContact SD-CE1 4.46Å; F541-F543 VanDerWaalsContact C-N 3.34Å; F541-F543 PolarHBondContact O-N 3.49Å; F541-N546 HydrophobicContact CB-CB 4.28Å; F541-N546 HydrophobicContact CD1-CB 3.35Å; F541-N546 VanDerWaalsContact CD1-CG 3.43Å; F541-N546 HydrophobicContact CE1-CB 3.78Å; F541-N546 HydrophobicContact CG-CB 3.89Å; F541-I547 HydrophobicContact CD2-CD1 4Å; F541-I547 HydrophobicContact CE2-CD1 4.26Å; F541-I558 HydrophobicContact CE2-CG2 3.62Å; F541-I558 HydrophobicContact CZ-CG2 4.31Å; F541-A560 HydrophobicContact CD2-CB 3.91Å; F541-A560 HydrophobicContact CE2-CB 3.58Å; F541-A560 HydrophobicContact CZ-CB 4.33Å; F541-S564 WeakPolarHBondContact O-CB 3.49Å; F541-S564 PolarHBondContact O-OG 2.96Å; F541-V570 HydrophobicContact CB-CG2 4.34Å
542P97.6Very high98.5Very high40 Ų4035 Ų3526%0.2616%0.162SC..SBendtrans-65.5-36.8178.2-2435.1000113R450 F540 S564R450-P542 HydrophobicContact CB-CG 4.31Å; F540-P542 HydrophobicContact CE2-CG 4.24Å; F540-P542 WeakPolarHBondContact O-CD 3.46Å; P542-S564 PolarHBondContact O-OG 3.22Å
543F98.4Very high98.6Very high136 Ų13633.2 Ų33.260%0.59615%0.147SC*.SBendtrans-143.6163.3-173.9-52.5-70.3000112.2F541 D545 N546F541-F543 VanDerWaalsContact C-N 3.34Å; F541-F543 PolarHBondContact O-N 3.49Å; F543-D545 WeakPolarHBondContact CB-OD1 3.26Å; F543-D545 PolarHBondContact O-N 2.83Å; F543-N546 PolarHBondContact O-ND2 3.43Å
544R98.4Very high98.5Very high81 Ų8133.7 Ų33.731%0.30615%0.152SC..THydrogen-bonded Turntrans-64.2-19.1-179.868168.5-72.7156.63.6114.8N546 I547 D548 V569 A573 E576R544-N546 PolarHBondContact O-N 3.29Å; R544-N546 VanDerWaalsContact O-N 3.1Å; R544-I547 WeakPolarHBondContact O-CA 3.45Å; R544-I547 WeakPolarHBondContact O-CB 3.42Å; R544-I547 PolarHBondContact O-N 3.44Å; R544-D548 IonicContact CZ-OD1 3.44Å; R544-D548 IonicContact CZ-OD2 2.88Å; R544-D548 IonicContact NE-OD1 3.49Å; R544-D548 PolarHBondContact NE-OD1 3.16Å; R544-D548 IonicContact NE-OD2 2.75Å; R544-D548 PolarHBondContact NE-OD2 3Å; R544-D548 IonicContact NH2-OD1 3.6Å; R544-D548 PolarHBondContact NH2-OD1 2.95Å; R544-D548 IonicContact NH2-OD2 2.58Å; R544-D548 PolarHBondContact O-N 3.35Å; R544-V569 HydrophobicContact CB-CG1 4.4Å; R544-A573 HydrophobicContact CB-CB 3.83Å; R544-E576 IonicContact CZ-OE2 3.53Å; R544-E576 IonicContact NH1-OE2 3.65Å; R544-E576 PolarHBondContact NH1-OE2 2.85Å; R544-E576 IonicContact NH2-OE1 2.66Å; R544-E576 IonicContact NH2-OE2 3.7Å; R544-E576 PolarHBondContact NH2-OE2 3.48Å
545D98.4Very high98.5Very high50 Ų5033.7 Ų33.727%0.26715%0.152SC..Hα-helixtrans-57.2-27.7-179.861.8-12.9000112.9I451 F543 R549I451-D545 HydrophobicContact CD1-CB 4.1Å; I451-D545 WeakPolarHBondContact CD1-O 3.43Å; I451-D545 WeakPolarHBondContact CG1-OD2 3.46Å; F543-D545 WeakPolarHBondContact CB-OD1 3.26Å; F543-D545 PolarHBondContact O-N 2.83Å; D545-R549 WeakPolarHBondContact O-CB 3.39Å; D545-R549 PolarHBondContact O-N 2.95Å
546N98.7Very high98.5Very high1 Ų136.2 Ų36.21%0.00516%0.164CC..Hα-helixtrans-64.1-44.5171.2-63.1-82.3000111.6I451 M454 F541 F543 R544 R549 A550I451-N546 VanDerWaalsContact CA-OD1 3.31Å; I451-N546 WeakPolarHBondContact CA-OD1 3.48Å; I451-N546 PolarHBondContact N-OD1 3.01Å; M454-N546 WeakPolarHBondContact CE-O 3.33Å; M454-N546 HydrophobicContact CG-CB 4.23Å; F541-N546 HydrophobicContact CB-CB 4.28Å; F541-N546 HydrophobicContact CD1-CB 3.35Å; F541-N546 VanDerWaalsContact CD1-CG 3.43Å; F541-N546 HydrophobicContact CE1-CB 3.78Å; F541-N546 HydrophobicContact CG-CB 3.89Å; F543-N546 PolarHBondContact O-ND2 3.43Å; R544-N546 PolarHBondContact O-N 3.29Å; R544-N546 VanDerWaalsContact O-N 3.1Å; N546-R549 PolarHBondContact O-N 2.98Å; N546-A550 WeakPolarHBondContact O-CB 3.5Å; N546-A550 PolarHBondContact O-N 3.09Å
547I98.8Very high98.5Very high0 Ų037.1 Ų37.10%017%0.167CC..Hα-helixtrans-67.8-43178.5-47-52.7000110F541 R544 R549 A550 K551 I558 V570 A573 L577 I579F541-I547 HydrophobicContact CD2-CD1 4Å; F541-I547 HydrophobicContact CE2-CD1 4.26Å; R544-I547 WeakPolarHBondContact O-CA 3.45Å; R544-I547 WeakPolarHBondContact O-CB 3.42Å; R544-I547 PolarHBondContact O-N 3.44Å; I547-R549 VanDerWaalsContact C-N 3.32Å; I547-R549 PolarHBondContact O-N 2.92Å; I547-A550 VanDerWaalsContact O-CB 3.31Å; I547-A550 WeakPolarHBondContact O-CB 3.43Å; I547-A550 PolarHBondContact O-N 3.38Å; I547-A550 VanDerWaalsContact O-N 3.16Å; I547-K551 PolarHBondContact O-N 2.96Å; I547-I558 HydrophobicContact CD1-CD1 3.71Å; I547-V570 HydrophobicContact CD1-CG1 3.84Å; I547-V570 HydrophobicContact CG1-CG1 3.89Å; I547-A573 HydrophobicContact CB-CB 4.48Å; I547-A573 HydrophobicContact CG2-CB 4.45Å; I547-L577 HydrophobicContact CG2-CD1 3.99Å; I547-I579 HydrophobicContact CG2-CD1 3.73Å
548D98.6Very high98.5Very high44 Ų4437 Ų3724%0.23517%0.167CC..Hα-helixtrans-62.6-38177-62-47000111.6R544 R552R544-D548 IonicContact CZ-OD1 3.44Å; R544-D548 IonicContact CZ-OD2 2.88Å; R544-D548 IonicContact NE-OD1 3.49Å; R544-D548 PolarHBondContact NE-OD1 3.16Å; R544-D548 IonicContact NE-OD2 2.75Å; R544-D548 PolarHBondContact NE-OD2 3Å; R544-D548 IonicContact NH2-OD1 3.6Å; R544-D548 PolarHBondContact NH2-OD1 2.95Å; R544-D548 IonicContact NH2-OD2 2.58Å; R544-D548 PolarHBondContact O-N 3.35Å; D548-R552 WeakPolarHBondContact O-CG 3.42Å
549R98.7Very high98.5Very high22 Ų2237.1 Ų37.18%0.08317%0.167CC..Hα-helixtrans-69.6-40.7172.4176.160.8-172.189.5-15.3111.8I451 M454 R455 G458 D459 D462 D545 N546 I547 K551 R552 S553I451-R549 HydrophobicContact CD1-CB 4.33Å; M454-R549 HydrophobicContact CG-CB 4.23Å; M454-R549 HydrophobicContact CG-CG 4.12Å; R455-R549 HydrophobicContact CG-CG 3.96Å; G458-R549 PolarHBondContact O-NH2 3.23Å; D459-R549 IonicContact OD1-CZ 3.68Å; D459-R549 IonicContact OD1-NE 3.57Å; D459-R549 IonicContact OD1-NH2 3.65Å; D459-R549 PolarHBondContact OD1-NH2 3.27Å; D462-R549 IonicContact OD2-CZ 2.91Å; D462-R549 IonicContact OD2-NH1 2.79Å; D462-R549 IonicContact OD2-NH2 2.86Å; D462-R549 PolarHBondContact OD2-NH2 3.07Å; D545-R549 WeakPolarHBondContact O-CB 3.39Å; D545-R549 PolarHBondContact O-N 2.95Å; N546-R549 PolarHBondContact O-N 2.98Å; I547-R549 VanDerWaalsContact C-N 3.32Å; I547-R549 PolarHBondContact O-N 2.92Å; R549-K551 VanDerWaalsContact C-N 3.32Å; R549-K551 PolarHBondContact O-N 3.36Å; R549-R552 PolarHBondContact O-N 3.4Å; R549-S553 PolarHBondContact NH1-OG 3.06Å
550A98.6Very high98.5Very high0 Ų037 Ų370%017%0.166CC..Hα-helixtrans-55.4-50.4178.200000110.6M454 N546 I547 R552 S553 V555 I558M454-A550 VanDerWaalsContact CE-CA 3.46Å; M454-A550 HydrophobicContact CE-CB 3.09Å; N546-A550 WeakPolarHBondContact O-CB 3.5Å; N546-A550 PolarHBondContact O-N 3.09Å; I547-A550 VanDerWaalsContact O-CB 3.31Å; I547-A550 WeakPolarHBondContact O-CB 3.43Å; I547-A550 PolarHBondContact O-N 3.38Å; I547-A550 VanDerWaalsContact O-N 3.16Å; A550-R552 PolarHBondContact O-N 3.16Å; A550-R552 VanDerWaalsContact O-N 3.08Å; A550-S553 PolarHBondContact O-N 3.4Å; A550-V555 HydrophobicContact CB-CB 3.75Å; A550-V555 HydrophobicContact CB-CG1 3.92Å; A550-V555 HydrophobicContact CB-CG2 3.85Å; A550-V555 WeakPolarHBondContact O-CB 3.34Å; A550-V555 WeakPolarHBondContact O-CG2 3.4Å; A550-I558 HydrophobicContact CB-CD1 4.08Å
551K98.4Very high98.5Very high78 Ų7834.7 Ų34.734%0.33916%0.157SC..Hα-helixtrans-58.3-30.1-174.2-173.561.5-178.3-170.70113I547 R549 S553 G554 L577 I579I547-K551 PolarHBondContact O-N 2.96Å; R549-K551 VanDerWaalsContact C-N 3.32Å; R549-K551 PolarHBondContact O-N 3.36Å; K551-S553 PolarHBondContact O-N 3.48Å; K551-G554 PolarHBondContact O-N 3.3Å; K551-L577 HydrophobicContact CB-CD1 4.13Å; K551-L577 HydrophobicContact CD-CB 4.3Å; K551-L577 WeakPolarHBondContact CE-O 3.34Å; K551-L577 HydrophobicContact CG-CB 4.39Å; K551-L577 HydrophobicContact CG-CD1 4.41Å; K551-L577 HydrophobicContact CG-CD2 4.46Å; K551-L577 PolarHBondContact NZ-O 3.03Å; K551-I579 HydrophobicContact CB-CD1 4.26Å; K551-I579 HydrophobicContact CD-CD1 4.16Å; K551-I579 HydrophobicContact CD-CG1 4.37Å
552R98.2Very high98.5Very high178 Ų17836.4 Ų36.467%0.67217%0.171SC*.THydrogen-bonded Turntrans-68-18.4178.9-64.3176.2-171.4-167.60.3113.8I527 D548 R549 A550I527-R552 WeakPolarHBondContact CG2-O 3.34Å; D548-R552 WeakPolarHBondContact O-CG 3.42Å; R549-R552 PolarHBondContact O-N 3.4Å; A550-R552 PolarHBondContact O-N 3.16Å; A550-R552 VanDerWaalsContact O-N 3.08Å
553S98.5Very high98.4Very high0 Ų036.9 Ų36.90%018%0.184CC..THydrogen-bonded Turntrans-112.235.3176.6-57.90000111.7D462 L530 V533 R549 A550 K551 V555D462-S553 VanDerWaalsContact CG-OG 3.28Å; D462-S553 VanDerWaalsContact OD1-CB 3.3Å; D462-S553 WeakPolarHBondContact OD1-CB 3.28Å; D462-S553 PolarHBondContact OD1-OG 2.82Å; D462-S553 PolarHBondContact OD2-OG 3.17Å; L530-S553 WeakPolarHBondContact CD2-O 3.47Å; V533-S553 WeakPolarHBondContact CG2-O 3.31Å; R549-S553 PolarHBondContact NH1-OG 3.06Å; A550-S553 PolarHBondContact O-N 3.4Å; K551-S553 PolarHBondContact O-N 3.48Å; S553-V555 VanDerWaalsContact C-N 3.3Å; S553-V555 PolarHBondContact O-N 2.87Å
554G98.4Very high98.3Very high9 Ų931.2 Ų31.29%0.09316%0.161CC..THydrogen-bonded Turntrans73.116.4171.500000115.8L530 Q531 A532 V533 K551 E556L530-G554 WeakPolarHBondContact O-CA 3.35Å; Q531-G554 CarbonylContact C-O 3.33Å; A532-G554 PolarHBondContact N-O 2.91Å; V533-G554 WeakPolarHBondContact CB-O 3.43Å; V533-G554 PolarHBondContact N-O 3.01Å; K551-G554 PolarHBondContact O-N 3.3Å; G554-E556 PolarHBondContact O-N 3.22Å
555V98.8Very high98.2Very high0 Ų033 Ų330%019%0.193CC..EExtended strand (participates in β ladder)trans-71.1129.7-177179.50000111.1Y434 V533 V535 A550 S553 I558Y434-V555 HydrophobicContact CD1-CG2 3.74Å; Y434-V555 HydrophobicContact CE1-CG2 3.49Å; Y434-V555 VanDerWaalsContact CE1-CG2 3.49Å; V533-V555 HydrophobicContact CB-CG2 4.13Å; V533-V555 HydrophobicContact CG1-CG2 3.97Å; V533-V555 WeakPolarHBondContact O-CA 3.31Å; V535-V555 HydrophobicContact CB-CG1 4.3Å; V535-V555 HydrophobicContact CG2-CB 4.39Å; V535-V555 HydrophobicContact CG2-CG1 3.91Å; V535-V555 HydrophobicContact CG2-CG2 3.49Å; V535-V555 VanDerWaalsContact CG2-CG2 3.49Å; A550-V555 HydrophobicContact CB-CB 3.75Å; A550-V555 HydrophobicContact CB-CG1 3.92Å; A550-V555 HydrophobicContact CB-CG2 3.85Å; A550-V555 WeakPolarHBondContact O-CB 3.34Å; A550-V555 WeakPolarHBondContact O-CG2 3.4Å; S553-V555 VanDerWaalsContact C-N 3.3Å; S553-V555 PolarHBondContact O-N 2.87Å; V555-I558 HydrophobicContact CG1-CD1 3.99Å; V555-I558 HydrophobicContact CG1-CG1 3.59Å
556E98.8Very high98.2Very high54 Ų5431.6 Ų31.625%0.25219%0.189SC..EExtended strand (participates in β ladder)trans-127.1-16.2177.4-72.4171.4-15500112.1A532 V533 G554 I579 T580A532-E556 WeakPolarHBondContact CA-OE2 3.35Å; A532-E556 VanDerWaalsContact N-CD 3.3Å; A532-E556 PolarHBondContact N-OE1 3.43Å; V533-E556 PolarHBondContact O-N 3.24Å; G554-E556 PolarHBondContact O-N 3.22Å; E556-I579 WeakPolarHBondContact O-CA 3.44Å; E556-T580 PolarHBondContact O-N 3.01Å
557F98.9Very high98.2Very high22 Ų2233 Ų3310%0.09620%0.196CC..EExtended strand (participates in β ladder)trans-132.6131.3-178.9-45.2-77.8000110.3L409 A413 L417 A532 V533 A534 V535 T580L409-F557 HydrophobicContact CD2-CD1 3.92Å; A413-F557 HydrophobicContact CB-CB 4.4Å; A413-F557 HydrophobicContact CB-CD1 3.56Å; A413-F557 HydrophobicContact CB-CD2 3.65Å; A413-F557 HydrophobicContact CB-CE1 3.65Å; A413-F557 HydrophobicContact CB-CE2 3.73Å; A413-F557 HydrophobicContact CB-CG 3.58Å; A413-F557 HydrophobicContact CB-CZ 3.75Å; L417-F557 HydrophobicContact CD1-CB 4.27Å; L417-F557 HydrophobicContact CD2-CB 4.43Å; L417-F557 HydrophobicContact CG-CB 4.34Å; A532-F557 HydrophobicContact CB-CE2 4.33Å; V533-F557 PolarHBondContact O-N 2.96Å; A534-F557 CarbonylContact C-O 3.53Å; A534-F557 VanDerWaalsContact CA-O 3.3Å; A534-F557 WeakPolarHBondContact CA-O 3.45Å; A534-F557 HydrophobicContact CB-CB 4.29Å; V535-F557 PolarHBondContact N-O 3.12Å; F557-T580 CarbonylContact C-O 3.49Å; F557-T580 WeakPolarHBondContact CA-O 3.32Å
558I98.9Very high98.1Very high0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-133134.4179.5-63.9-176.1000109.6V535 F541 I547 A550 V555 I579 T580 L581 V582V535-I558 HydrophobicContact CB-CG1 4.29Å; V535-I558 CarbonylContact O-C 3.58Å; V535-I558 VanDerWaalsContact O-CA 3.32Å; V535-I558 WeakPolarHBondContact O-CA 3.27Å; F541-I558 HydrophobicContact CE2-CG2 3.62Å; F541-I558 HydrophobicContact CZ-CG2 4.31Å; I547-I558 HydrophobicContact CD1-CD1 3.71Å; A550-I558 HydrophobicContact CB-CD1 4.08Å; V555-I558 HydrophobicContact CG1-CD1 3.99Å; V555-I558 HydrophobicContact CG1-CG1 3.59Å; I558-I579 HydrophobicContact CB-CG2 4.27Å; I558-I579 HydrophobicContact CD1-CD1 4.41Å; I558-I579 HydrophobicContact CD1-CG2 3.74Å; I558-I579 HydrophobicContact CG1-CG2 3.69Å; I558-T580 PolarHBondContact N-O 2.64Å; I558-L581 HydrophobicContact CB-CD1 3.87Å; I558-L581 HydrophobicContact CG2-CD1 3.55Å; I558-L581 CarbonylContact O-C 3.5Å; I558-L581 WeakPolarHBondContact O-CA 3.47Å; I558-V582 PolarHBondContact O-N 2.92Å
559A98.8Very high98.1Very high1 Ų140.9 Ų40.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-119.2126.8163.900000110.4F400 L417 V535 S536 S537 V582F400-A559 HydrophobicContact CD1-CB 4.05Å; F400-A559 HydrophobicContact CE1-CB 3.86Å; L417-A559 HydrophobicContact CD2-CB 3.8Å; V535-A559 PolarHBondContact O-N 3.44Å; S536-A559 VanDerWaalsContact CA-O 3.3Å; S536-A559 WeakPolarHBondContact CA-O 3.4Å; S537-A559 PolarHBondContact N-O 3.14Å; S537-A559 VanDerWaalsContact N-O 3.08Å; A559-V582 WeakPolarHBondContact CA-O 3.36Å; A559-V582 HydrophobicContact CB-CB 4.16Å
560A98.8Very high98.1Very high2 Ų239.9 Ų39.92%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-150.9155.2173.700000110.3F541 V582 H583 T584F541-A560 HydrophobicContact CD2-CB 3.91Å; F541-A560 HydrophobicContact CE2-CB 3.58Å; F541-A560 HydrophobicContact CZ-CB 4.33Å; A560-V582 PolarHBondContact N-O 3.45Å; A560-V582 VanDerWaalsContact N-O 3.08Å; A560-H583 WeakPolarHBondContact O-CA 3.19Å; A560-T584 PolarHBondContact O-N 3.28Å
561P98.3Very high98.1Very high6 Ų640.8 Ų40.84%0.03924%0.238CC..EExtended strand (participates in β ladder)trans-59.8143.2169.6-25.236.6000111.3S537 F540 T584 L586 R587S537-P561 WeakPolarHBondContact O-CD 3.48Å; F540-P561 WeakPolarHBondContact CA-O 3.41Å; F540-P561 WeakPolarHBondContact CB-O 3.23Å; P561-T584 WeakPolarHBondContact CA-O 3.49Å; P561-T584 WeakPolarHBondContact CA-OG1 3.41Å; P561-L586 WeakPolarHBondContact CG-O 3.47Å; P561-R587 HydrophobicContact CB-CG 4.22Å; P561-R587 HydrophobicContact CG-CG 4.21Å
562A97.4Very high98.2Very high40 Ų4041.5 Ų41.533%0.33125%0.245SC..  trans-72.9176.2163.800000111.3H583 T584A562-H583 HydrophobicContact CB-CB 4.1Å; A562-T584 PolarHBondContact N-O 2.94Å
563G96.1Very high98.2Very high50 Ų5033 Ų3352%0.51521%0.213SC..  trans118.112.7170.600000114.7D567G563-D567 PolarHBondContact N-OD2 2.89Å
564S96.3Very high98.2Very high17 Ų1733 Ų3312%0.11921%0.213CC..  trans-78.6144.9167-168.60000110.1F541 P542 A566 D567F541-S564 WeakPolarHBondContact O-CB 3.49Å; F541-S564 PolarHBondContact O-OG 2.96Å; P542-S564 PolarHBondContact O-OG 3.22Å; S564-A566 PolarHBondContact O-N 2.8Å; S564-A566 VanDerWaalsContact O-N 3.12Å; S564-A566 PolarHBondContact OG-N 2.91Å; S564-D567 WeakPolarHBondContact CA-OD1 2.95Å; S564-D567 WeakPolarHBondContact CB-OD1 3.41Å; S564-D567 PolarHBondContact N-OD1 3.49Å; S564-D567 PolarHBondContact N-OD2 3.23Å; S564-D567 VanDerWaalsContact O-CG 3.28Å; S564-D567 PolarHBondContact O-N 3.15Å
565A96.8Very high98.2Very high119 Ų11934.7 Ų34.798%0.98322%0.22SC*.THydrogen-bonded Turntrans-61.2-17.716600000112.4
566A97.1Very high98.2Very high21 Ų2141 Ų4117%0.17425%0.25CC..THydrogen-bonded Turntrans-107.921.1179.900000113.5S564 E568 V569 V570S564-A566 PolarHBondContact O-N 2.8Å; S564-A566 VanDerWaalsContact O-N 3.12Å; S564-A566 PolarHBondContact OG-N 2.91Å; A566-E568 VanDerWaalsContact C-N 3.28Å; A566-E568 PolarHBondContact O-N 3.12Å; A566-V569 HydrophobicContact CB-CB 4.3Å; A566-V569 HydrophobicContact CB-CG2 4.43Å; A566-V569 WeakPolarHBondContact O-CA 3.41Å; A566-V569 WeakPolarHBondContact O-CB 3.34Å; A566-V569 PolarHBondContact O-N 2.98Å; A566-V570 PolarHBondContact O-N 2.64Å
567D98.3Very high98.2Very high29 Ų2940.4 Ų40.416%0.15525%0.248CC..Hα-helixtrans-53.3-43.9-179.5-82.7-10.5000111.9G563 S564 V569 V570 I571G563-D567 PolarHBondContact N-OD2 2.89Å; S564-D567 WeakPolarHBondContact CA-OD1 2.95Å; S564-D567 WeakPolarHBondContact CB-OD1 3.41Å; S564-D567 PolarHBondContact N-OD1 3.49Å; S564-D567 PolarHBondContact N-OD2 3.23Å; S564-D567 VanDerWaalsContact O-CG 3.28Å; S564-D567 PolarHBondContact O-N 3.15Å; D567-V569 VanDerWaalsContact C-N 3.29Å; D567-V569 PolarHBondContact O-N 3.18Å; D567-V570 WeakPolarHBondContact O-CB 3.19Å; D567-V570 PolarHBondContact O-N 3.46Å; D567-V570 VanDerWaalsContact O-N 3.1Å; D567-I571 VanDerWaalsContact O-CG1 3.28Å; D567-I571 WeakPolarHBondContact O-CG1 3.42Å; D567-I571 PolarHBondContact O-N 3.3Å
568E98.5Very high98.1Very high131 Ų13142 Ų4261%0.61227%0.271SS*.Hα-helixtrans-59.7-36.9175.8-72.2-59.814400113A566 N572A566-E568 VanDerWaalsContact C-N 3.28Å; A566-E568 PolarHBondContact O-N 3.12Å; E568-N572 VanDerWaalsContact O-CB 3.28Å; E568-N572 WeakPolarHBondContact O-CB 3.17Å; E568-N572 PolarHBondContact O-N 2.97Å; E568-N572 PolarHBondContact O-ND2 3.47Å
569V98.6Very high98.1Very high79 Ų7942.2 Ų42.248%0.47927%0.272SS..Hα-helixtrans-67.6-39.9176.6179.40000110.3R544 A566 D567 A573R544-V569 HydrophobicContact CB-CG1 4.4Å; A566-V569 HydrophobicContact CB-CB 4.3Å; A566-V569 HydrophobicContact CB-CG2 4.43Å; A566-V569 WeakPolarHBondContact O-CA 3.41Å; A566-V569 WeakPolarHBondContact O-CB 3.34Å; A566-V569 PolarHBondContact O-N 2.98Å; D567-V569 VanDerWaalsContact C-N 3.29Å; D567-V569 PolarHBondContact O-N 3.18Å; V569-A573 WeakPolarHBondContact O-CB 2.97Å; V569-A573 PolarHBondContact O-N 2.68Å
570V98.7Very high98.1Very high2 Ų242.6 Ų42.61%0.01227%0.274CS..Hα-helixtrans-67.5-43.7177.31730000111.3F541 I547 A566 D567 A573 C574 L581F541-V570 HydrophobicContact CB-CG2 4.34Å; I547-V570 HydrophobicContact CD1-CG1 3.84Å; I547-V570 HydrophobicContact CG1-CG1 3.89Å; A566-V570 PolarHBondContact O-N 2.64Å; D567-V570 WeakPolarHBondContact O-CB 3.19Å; D567-V570 PolarHBondContact O-N 3.46Å; D567-V570 VanDerWaalsContact O-N 3.1Å; V570-A573 PolarHBondContact O-N 3.45Å; V570-C574 PolarHBondContact O-N 2.77Å; V570-C574 PolarHBondContact O-SG 3.32Å; V570-L581 HydrophobicContact CG1-CD2 4.06Å
571I98.8Very high98.1Very high18 Ų1842.6 Ų42.69%0.09227%0.274CS..Hα-helixtrans-61-47175.9-67.7163.4000110.1V404 D567 A573 C574 N575 L581V404-I571 HydrophobicContact CB-CD1 4.31Å; V404-I571 HydrophobicContact CB-CG1 4.46Å; V404-I571 HydrophobicContact CG2-CD1 4.2Å; V404-I571 HydrophobicContact CG2-CG1 3.92Å; D567-I571 VanDerWaalsContact O-CG1 3.28Å; D567-I571 WeakPolarHBondContact O-CG1 3.42Å; D567-I571 PolarHBondContact O-N 3.3Å; I571-A573 PolarHBondContact O-N 3.47Å; I571-C574 PolarHBondContact O-N 3.3Å; I571-N575 PolarHBondContact O-N 2.72Å; I571-N575 PolarHBondContact O-ND2 2.78Å; I571-L581 HydrophobicContact CG1-CD2 3.94Å
572N98.6Very high98.1Very high93 Ų9342.3 Ų42.350%0.49727%0.272SS..Hα-helixtrans-63.3-40.6177.9-74.5-38.9000112.3E568 C574 N575 E576E568-N572 VanDerWaalsContact O-CB 3.28Å; E568-N572 WeakPolarHBondContact O-CB 3.17Å; E568-N572 PolarHBondContact O-N 2.97Å; E568-N572 PolarHBondContact O-ND2 3.47Å; N572-C574 VanDerWaalsContact C-N 3.34Å; N572-C574 PolarHBondContact O-N 2.91Å; N572-N575 PolarHBondContact O-N 3.26Å; N572-E576 WeakPolarHBondContact O-CB 3.49Å; N572-E576 PolarHBondContact O-N 3.31Å
573A98.8Very high98.2Very high1 Ų141.1 Ų41.11%0.00826%0.259CS..Hα-helixtrans-63.2-38.7174.200000112.1R544 I547 V569 V570 I571 E576 L577R544-A573 HydrophobicContact CB-CB 3.83Å; I547-A573 HydrophobicContact CB-CB 4.48Å; I547-A573 HydrophobicContact CG2-CB 4.45Å; V569-A573 WeakPolarHBondContact O-CB 2.97Å; V569-A573 PolarHBondContact O-N 2.68Å; V570-A573 PolarHBondContact O-N 3.45Å; I571-A573 PolarHBondContact O-N 3.47Å; A573-E576 PolarHBondContact O-N 2.86Å; A573-L577 WeakPolarHBondContact O-CB 3.38Å; A573-L577 WeakPolarHBondContact O-CG 3.47Å; A573-L577 PolarHBondContact O-N 3.33Å
574C98.8Very high98.2Very high0 Ų039.3 Ų39.30%024%0.239CC..Hα-helixtrans-63.8-44.2173.8-68.10000111.5V570 I571 N572 E576 L577 G578 I579 L581V570-C574 PolarHBondContact O-N 2.77Å; V570-C574 PolarHBondContact O-SG 3.32Å; I571-C574 PolarHBondContact O-N 3.3Å; N572-C574 VanDerWaalsContact C-N 3.34Å; N572-C574 PolarHBondContact O-N 2.91Å; C574-E576 PolarHBondContact O-N 2.92Å; C574-L577 PolarHBondContact O-N 3.18Å; C574-G578 PolarHBondContact O-N 3.13Å; C574-I579 HydrophobicContact CB-CB 4.08Å; C574-I579 HydrophobicContact CB-CG2 4.36Å; C574-I579 PolarHBondContact O-N 3.17Å; C574-L581 HydrophobicContact CB-CB 4.1Å; C574-L581 HydrophobicContact CB-CD2 4.44Å
575N98.6Very high98.1Very high44 Ų4444.8 Ų44.824%0.23528%0.277CS..Hα-helixtrans-61.1-41.9175.2-74.6-41.2000112.5S405 K406 I571 N572 L577 G578S405-N575 WeakPolarHBondContact CA-OD1 3.46Å; S405-N575 VanDerWaalsContact CB-OD1 3.29Å; S405-N575 WeakPolarHBondContact CB-OD1 3.46Å; K406-N575 WeakPolarHBondContact CG-OD1 3.36Å; K406-N575 PolarHBondContact N-OD1 3.28Å; I571-N575 PolarHBondContact O-N 2.72Å; I571-N575 PolarHBondContact O-ND2 2.78Å; N572-N575 PolarHBondContact O-N 3.26Å; N575-L577 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 2.85Å; N575-G578 PolarHBondContact O-N 3.41Å
576E98.5Very high98.1Very high133 Ų13341.1 Ų41.162%0.62124%0.241SC*.Hα-helixtrans-60-41176.4-173.2-168.9156.400111.6R544 N572 A573 C574R544-E576 IonicContact CZ-OE2 3.53Å; R544-E576 IonicContact NH1-OE2 3.65Å; R544-E576 PolarHBondContact NH1-OE2 2.85Å; R544-E576 IonicContact NH2-OE1 2.66Å; R544-E576 IonicContact NH2-OE2 3.7Å; R544-E576 PolarHBondContact NH2-OE2 3.48Å; N572-E576 WeakPolarHBondContact O-CB 3.49Å; N572-E576 PolarHBondContact O-N 3.31Å; A573-E576 PolarHBondContact O-N 2.86Å; C574-E576 PolarHBondContact O-N 2.92Å
577L98.3Very high98.1Very high41 Ų4146.3 Ų46.322%0.21526%0.256CS..Hα-helixtrans-94.23.5-174.9-61.5176.2000114.2I547 K551 A573 C574 N575 I579I547-L577 HydrophobicContact CG2-CD1 3.99Å; K551-L577 HydrophobicContact CB-CD1 4.13Å; K551-L577 HydrophobicContact CD-CB 4.3Å; K551-L577 WeakPolarHBondContact CE-O 3.34Å; K551-L577 HydrophobicContact CG-CB 4.39Å; K551-L577 HydrophobicContact CG-CD1 4.41Å; K551-L577 HydrophobicContact CG-CD2 4.46Å; K551-L577 PolarHBondContact NZ-O 3.03Å; A573-L577 WeakPolarHBondContact O-CB 3.38Å; A573-L577 WeakPolarHBondContact O-CG 3.47Å; A573-L577 PolarHBondContact O-N 3.33Å; C574-L577 PolarHBondContact O-N 3.18Å; N575-L577 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 2.85Å; L577-I579 HydrophobicContact CB-CD1 4.1Å; L577-I579 HydrophobicContact CB-CG1 4.23Å
578G98Very high98.1Very high56 Ų5645.1 Ų45.158%0.57725%0.249SC*.THydrogen-bonded Turntrans66.134.7-178.600000113.6C574 N575C574-G578 PolarHBondContact O-N 3.13Å; N575-G578 PolarHBondContact O-N 3.41Å
579I98.8Very high98.1Very high3 Ų343.2 Ų43.22%0.01524%0.239CC..  trans-99.7130.8179.5-64.6174000109.8S405 I547 K551 E556 I558 C574 L577 L581S405-I579 PolarHBondContact OG-O 3.5Å; I547-I579 HydrophobicContact CG2-CD1 3.73Å; K551-I579 HydrophobicContact CB-CD1 4.26Å; K551-I579 HydrophobicContact CD-CD1 4.16Å; K551-I579 HydrophobicContact CD-CG1 4.37Å; E556-I579 WeakPolarHBondContact O-CA 3.44Å; I558-I579 HydrophobicContact CB-CG2 4.27Å; I558-I579 HydrophobicContact CD1-CD1 4.41Å; I558-I579 HydrophobicContact CD1-CG2 3.74Å; I558-I579 HydrophobicContact CG1-CG2 3.69Å; C574-I579 HydrophobicContact CB-CB 4.08Å; C574-I579 HydrophobicContact CB-CG2 4.36Å; C574-I579 PolarHBondContact O-N 3.17Å; L577-I579 HydrophobicContact CB-CD1 4.1Å; L577-I579 HydrophobicContact CB-CG1 4.23Å; I579-L581 PolarHBondContact O-N 3.15Å
580T98.8Very high98.1Very high10 Ų1041.3 Ų41.36%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-79.2117.7170.7-53.90000109.4V403 S405 G407 S408 L409 E556 F557 I558V403-T580 HydrophobicContact CG1-CG2 3.71Å; S405-T580 VanDerWaalsContact OG-CA 3.25Å; S405-T580 WeakPolarHBondContact OG-CA 3.42Å; G407-T580 WeakPolarHBondContact CA-OG1 3.44Å; S408-T580 PolarHBondContact N-OG1 3.3Å; S408-T580 PolarHBondContact O-OG1 3.24Å; L409-T580 HydrophobicContact CD2-CG2 3.64Å; L409-T580 HydrophobicContact CG-CG2 4.21Å; E556-T580 PolarHBondContact O-N 3.01Å; F557-T580 CarbonylContact C-O 3.49Å; F557-T580 WeakPolarHBondContact CA-O 3.32Å; I558-T580 PolarHBondContact N-O 2.64Å
581L98.8Very high98.1Very high1 Ų147.6 Ų47.61%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-110.4127.5-178.9178.561.7000110.4V403 V404 S405 I558 V570 I571 C574 I579 H583V403-L581 WeakPolarHBondContact CA-O 3.36Å; V404-L581 HydrophobicContact CG2-CB 4.17Å; V404-L581 HydrophobicContact CG2-CD2 3.94Å; V404-L581 HydrophobicContact CG2-CG 3.82Å; V404-L581 WeakPolarHBondContact CG2-O 3.38Å; V404-L581 PolarHBondContact N-O 3.42Å; S405-L581 PolarHBondContact OG-N 3.04Å; I558-L581 HydrophobicContact CB-CD1 3.87Å; I558-L581 HydrophobicContact CG2-CD1 3.55Å; I558-L581 CarbonylContact O-C 3.5Å; I558-L581 WeakPolarHBondContact O-CA 3.47Å; V570-L581 HydrophobicContact CG1-CD2 4.06Å; I571-L581 HydrophobicContact CG1-CD2 3.94Å; C574-L581 HydrophobicContact CB-CB 4.1Å; C574-L581 HydrophobicContact CB-CD2 4.44Å; I579-L581 PolarHBondContact O-N 3.15Å; L581-H583 WeakPolarHBondContact CD2-NE2 3.33Å
582V98.8Very high98Very high0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-105.4122.3171-178.10000108.8F400 N402 V403 L409 L417 I558 A559 A560 T584F400-V582 HydrophobicContact CB-CG1 4.23Å; F400-V582 HydrophobicContact CD1-CG1 4.24Å; N402-V582 WeakPolarHBondContact O-CA 3.23Å; V403-V582 HydrophobicContact CG2-CG2 4.21Å; L409-V582 HydrophobicContact CD1-CG2 3.66Å; L409-V582 HydrophobicContact CD2-CG2 4.23Å; L409-V582 HydrophobicContact CG-CG2 4.38Å; L417-V582 HydrophobicContact CD1-CG2 4.37Å; I558-V582 PolarHBondContact O-N 2.92Å; A559-V582 WeakPolarHBondContact CA-O 3.36Å; A559-V582 HydrophobicContact CB-CB 4.16Å; A560-V582 PolarHBondContact N-O 3.45Å; A560-V582 VanDerWaalsContact N-O 3.08Å; V582-T584 HydrophobicContact CG1-CG2 4.26Å
583H98.4Very high98Very high15 Ų1546.7 Ų46.77%0.06925%0.249CC..EExtended strand (participates in β ladder)trans-95.7117.2170.6-86.5-171000110.4N402 V404 A560 A562 L581N402-H583 WeakPolarHBondContact CB-O 3.26Å; N402-H583 PolarHBondContact ND2-O 2.92Å; N402-H583 PolarHBondContact O-N 2.92Å; V404-H583 HydrophobicContact CG1-CB 3.91Å; V404-H583 HydrophobicContact CG2-CB 4.12Å; A560-H583 WeakPolarHBondContact O-CA 3.19Å; A562-H583 HydrophobicContact CB-CB 4.1Å; L581-H583 WeakPolarHBondContact CD2-NE2 3.33Å
584T96.9Very high98Very high13 Ų1349.3 Ų49.38%0.0826%0.263CS..EExtended strand (participates in β ladder)trans-95.9165.8175.779.40000110.4F399 A560 P561 A562 V582F399-T584 HydrophobicContact CD1-CG2 4.12Å; F399-T584 HydrophobicContact CE1-CG2 3.44Å; F399-T584 VanDerWaalsContact CE1-CG2 3.44Å; F399-T584 HydrophobicContact CZ-CG2 3.73Å; A560-T584 PolarHBondContact O-N 3.28Å; P561-T584 WeakPolarHBondContact CA-O 3.49Å; P561-T584 WeakPolarHBondContact CA-OG1 3.41Å; A562-T584 PolarHBondContact N-O 2.94Å; V582-T584 HydrophobicContact CG1-CG2 4.26Å
585S92.9Very high97.9Very high131 Ų13152.2 Ų52.292%0.91628%0.278SS*.SBendtrans-104.313.3173.564.40000113
586L96.4Very high97.9Very high43 Ų4352.7 Ų52.723%0.22528%0.281CS..  trans-125.3113.1-170.3177.870.5000111.3A393 I395 F399 P561 L588A393-L586 HydrophobicContact CB-CD1 3.99Å; A393-L586 HydrophobicContact CB-CD2 3.36Å; A393-L586 HydrophobicContact CB-CG 4.32Å; I395-L586 HydrophobicContact CD1-CD2 4.14Å; F399-L586 HydrophobicContact CE2-CB 3.78Å; F399-L586 HydrophobicContact CE2-CD2 3.53Å; F399-L586 HydrophobicContact CE2-CG 4.3Å; F399-L586 HydrophobicContact CZ-CB 4.06Å; F399-L586 HydrophobicContact CZ-CD2 3.96Å; P561-L586 WeakPolarHBondContact CG-O 3.47Å; L586-L588 HydrophobicContact CD2-CD2 3.54Å; L586-L588 HydrophobicContact CD2-CG 4.3Å; L586-L588 HydrophobicContact CG-CD2 3.89Å; L586-L588 HydrophobicContact CG-CG 4.34Å
587R98.1Very high97.8Very high130 Ų13047.3 Ų47.349%0.49126%0.258SS..  trans-76.7145.5165.3-64.8-176.4-175.6174.43.2110.3D538 F540 P561D538-R587 WeakPolarHBondContact O-CA 3.24Å; F540-R587 VanDerWaalsContact CE1-NH2 3.33Å; P561-R587 HydrophobicContact CB-CG 4.22Å; P561-R587 HydrophobicContact CG-CG 4.21Å
588L98.6Very high97.8Very high4 Ų447.8 Ų47.82%0.02126%0.261CS..  trans-121.241.3-173.5-67.8174.1000112.2T421 V424 K425 D538 L586T421-L588 HydrophobicContact CG2-CD1 3.65Å; V424-L588 HydrophobicContact CG2-CD1 3.91Å; K425-L588 HydrophobicContact CB-CD1 4.31Å; K425-L588 HydrophobicContact CB-CD2 4.15Å; K425-L588 HydrophobicContact CD-CD2 4.36Å; K425-L588 HydrophobicContact CG-CD2 4.08Å; D538-L588 HydrophobicContact CB-CB 3.98Å; D538-L588 PolarHBondContact O-N 3.41Å; L586-L588 HydrophobicContact CD2-CD2 3.54Å; L586-L588 HydrophobicContact CD2-CG 4.3Å; L586-L588 HydrophobicContact CG-CD2 3.89Å; L586-L588 HydrophobicContact CG-CG 4.34Å
589F98.8Very high97.8Very high91 Ų9147.2 Ų47.240%0.39924%0.237SC..  trans-64.3141177.9-67-40.4000112.5S429 N430 A539S429-F589 VanDerWaalsContact OG-CA 3.25Å; S429-F589 WeakPolarHBondContact OG-CA 3.48Å; N430-F589 VanDerWaalsContact OD1-CE1 3.29Å; N430-F589 WeakPolarHBondContact OD1-CE1 3.44Å; A539-F589 HydrophobicContact CB-CE1 3.76Å; A539-F589 HydrophobicContact CB-CZ 3.78Å
590H98.6Very high97.7Very high38 Ų3850.8 Ų50.818%0.17626%0.255CS..  trans-142.8126.5-179.1179.978.2000111.2N245 Q428 S429N245-H590 PolarHBondContact OD1-CE1 3.4Å; N245-H590 VanDerWaalsContact OD1-CE1 3.27Å; Q428-H590 PolarHBondContact NE2-CD2 3.5Å; Q428-H590 PolarHBondContact NE2-NE2 3.41Å; S429-H590 PolarHBondContact N-O 3.08Å; S429-H590 PolarHBondContact OG-N 3.17Å
591H97.3Very high97.6Very high134 Ų13454.5 Ų54.562%0.6227%0.273SS*.  trans-147.60-174.5-70.4-60.8000112.6R379R379-H591 PolarHBondContact NH1-O 3.16Å; R379-H591 PolarHBondContact NH1-OXT 2.88Å; R379-H591 PolarHBondContact NH2-O 2.89Å; R379-H591 PolarHBondContact NH2-OXT 2.9Å

Retrieved 591 of 591 residues in 117.9 ms (Link to these results)

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