A0A087YA31_POEFO Loading...

Dihydropyrimidinase like 5b

AlphaFold DB , UniProt , Accession A0A087YA31, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 567 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
1M32Very low61.3Low244 Ų24495.5 Ų95.5100%1.20257%0.569SS**  0108.20-69.6180-168.800107.5A3M1-A3 PolarHBondContact O-N 2.83Å; M1-A3 VanDerWaalsContact O-N 3.11Å
2A33.7Very low64.4Low108 Ų10887.7 Ų87.789%0.89352%0.522SS*.  trans-74.197.8175.900000107.9N4A2-N4 PolarHBondContact O-N 2.84Å
3A35.3Very low67Low89 Ų8989.5 Ų89.574%0.73652%0.52SS*.  trans-59.8126.1167.800000107.5M1 M5M1-A3 PolarHBondContact O-N 2.83Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-M5 PolarHBondContact O-N 3.33Å
4N35.7Very low69.1Low167 Ų16786 Ų8689%0.89351%0.512SS*.  trans-51.596.3178.6-141.21.2000109.1A2 G6A2-N4 PolarHBondContact O-N 2.84Å; N4-G6 PolarHBondContact O-N 3.21Å
5M43.7Very low71Confident166 Ų16680.4 Ų80.482%0.81848%0.479SS*.  trans-7282.8172-71.1-166.2-155.200107A3 S7A3-M5 PolarHBondContact O-N 3.33Å; M5-S7 PolarHBondContact O-N 2.89Å
6G54Low72.8Confident60 Ų6081.5 Ų81.562%0.61948%0.476SS*.  trans-50.5132.4167.200000108.7N4 M8N4-G6 PolarHBondContact O-N 3.21Å; G6-M8 PolarHBondContact O-N 3.44Å
7S62.8Low74.3Confident47 Ų4776.7 Ų76.733%0.32945%0.448SS..  trans-45.5111.1176.3171.50000109.1M5 R9 E31 N32M5-S7 PolarHBondContact O-N 2.89Å; S7-R9 PolarHBondContact O-N 2.98Å; S7-R9 WeakPolarHBondContact OG-CG 3.47Å; S7-E31 PolarHBondContact OG-OE1 3.05Å; S7-N32 PolarHBondContact OG-OD1 2.61Å
8M84.9Confident75.7Confident98 Ų9872.4 Ų72.448%0.48342%0.423SS..  trans-76.4109.3-179.4-164.1168.7-143.300107.3G6 R444G6-M8 PolarHBondContact O-N 3.44Å; M8-R444 HydrophobicContact SD-CB 4.07Å; M8-R444 HydrophobicContact SD-CG 3.76Å
9R95.9Very high76.9Confident57 Ų5768.8 Ų68.822%0.21540%0.402CS..EExtended strand (participates in β ladder)trans-117.7128.8-174.7-69173.7-69.41524.8109S7 Y29 I30 E31 P45 G46 A48 K49S7-R9 PolarHBondContact O-N 2.98Å; S7-R9 WeakPolarHBondContact OG-CG 3.47Å; R9-Y29 HydrophobicContact CB-CE2 4.2Å; R9-Y29 VanDerWaalsContact CD-OH 3.22Å; R9-Y29 WeakPolarHBondContact CD-OH 3.42Å; R9-Y29 WeakPolarHBondContact CG-OH 3.29Å; R9-I30 WeakPolarHBondContact CA-O 3.48Å; R9-E31 HydrophobicContact CG-CB 4.2Å; R9-E31 HydrophobicContact CG-CG 3.86Å; R9-P45 PolarHBondContact NH1-O 2.83Å; R9-G46 PolarHBondContact NH1-O 3.4Å; R9-G46 PolarHBondContact NH2-O 3.24Å; R9-A48 HydrophobicContact CB-CB 3.81Å; R9-A48 CarbonylContact O-C 3.51Å; R9-A48 WeakPolarHBondContact O-CA 3.17Å; R9-K49 PolarHBondContact O-N 2.67Å
10I97.9Very high78Confident2 Ų267 Ų671%0.0139%0.39CS..EExtended strand (participates in β ladder)trans-126.9136.1-179.7-60.7174.9000108.5I12 Y29 I30 K49 I51 I440 G443I10-I12 HydrophobicContact CG2-CG1 4.29Å; I10-Y29 WeakPolarHBondContact O-CD2 3.44Å; I10-I30 HydrophobicContact CB-CB 4.21Å; I10-I30 PolarHBondContact N-O 2.65Å; I10-I30 PolarHBondContact O-N 3.36Å; I10-K49 CarbonylContact C-O 3.56Å; I10-K49 WeakPolarHBondContact CA-O 3.26Å; I10-I51 HydrophobicContact CG2-CD1 3.48Å; I10-I51 VanDerWaalsContact CG2-CD1 3.48Å; I10-I51 HydrophobicContact CG2-CG1 4.08Å; I10-I440 HydrophobicContact CD1-CD1 4.21Å; I10-I440 HydrophobicContact CD1-CG2 4.31Å; I10-I440 HydrophobicContact CG2-CD1 4.08Å; I10-G443 WeakPolarHBondContact CD1-O 3.18Å
11L98.3Very high79Confident13 Ų1368 Ų687%0.06839%0.394CS..EExtended strand (participates in β ladder)trans-116.7116.4167.9178.467.6000108.6K13 D27 L42 I44 K49 V50 I51L11-K13 HydrophobicContact CD2-CB 4.37Å; L11-K13 HydrophobicContact CD2-CD 4.36Å; L11-K13 HydrophobicContact CG-CB 4.35Å; L11-D27 HydrophobicContact CD1-CB 4.14Å; L11-L42 HydrophobicContact CD1-CD1 4.15Å; L11-I44 HydrophobicContact CB-CD1 3.73Å; L11-I44 HydrophobicContact CD1-CD1 4.18Å; L11-I44 HydrophobicContact CD2-CD1 3.67Å; L11-I44 HydrophobicContact CD2-CG1 4.48Å; L11-I44 HydrophobicContact CG-CD1 4.04Å; L11-K49 PolarHBondContact N-O 3.18Å; L11-V50 HydrophobicContact CB-CG2 4.49Å; L11-V50 HydrophobicContact CD2-CG2 4.47Å; L11-V50 CarbonylContact O-C 3.54Å; L11-V50 WeakPolarHBondContact O-CA 3.17Å; L11-I51 PolarHBondContact O-N 2.76Å
12I98.5Very high82.1Confident1 Ų160.5 Ų60.51%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-89.8118.6168-50.5174.5000106.7I10 D27 V28 I30 I51 A53 V58 V402 V404 I440I10-I12 HydrophobicContact CG2-CG1 4.29Å; I12-D27 CarbonylContact O-C 3.48Å; I12-D27 VanDerWaalsContact O-CA 3.23Å; I12-D27 WeakPolarHBondContact O-CA 3.41Å; I12-D27 WeakPolarHBondContact O-CB 3.47Å; I12-V28 HydrophobicContact CB-CB 4.24Å; I12-V28 HydrophobicContact CD1-CB 4.36Å; I12-V28 PolarHBondContact N-O 2.99Å; I12-V28 PolarHBondContact O-N 3.2Å; I12-I30 HydrophobicContact CD1-CD1 4.13Å; I12-I51 WeakPolarHBondContact CA-O 3.47Å; I12-A53 HydrophobicContact CG2-CB 3.59Å; I12-V58 HydrophobicContact CD1-CG1 4.05Å; I12-V58 HydrophobicContact CG2-CG1 4.39Å; I12-V58 HydrophobicContact CG2-CG2 3.75Å; I12-V402 HydrophobicContact CD1-CB 4.3Å; I12-V402 HydrophobicContact CD1-CG1 3.61Å; I12-V404 HydrophobicContact CD1-CG2 4.36Å; I12-V404 HydrophobicContact CG2-CG2 3.91Å; I12-I440 HydrophobicContact CD1-CD1 3.84Å; I12-I440 HydrophobicContact CG1-CD1 4.25Å
13K98.1Very high85.2Confident112 Ų11257.6 Ų57.649%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-120.6137.5-168.7-172.6172.8-178.1171.90112.5L11 G15 D27 V50 I51 A53L11-K13 HydrophobicContact CD2-CB 4.37Å; L11-K13 HydrophobicContact CD2-CD 4.36Å; L11-K13 HydrophobicContact CG-CB 4.35Å; K13-G15 PolarHBondContact O-N 3.26Å; K13-D27 VanDerWaalsContact CA-OD1 3.29Å; K13-D27 WeakPolarHBondContact CA-OD1 3.38Å; K13-V50 HydrophobicContact CB-CG1 4.21Å; K13-I51 PolarHBondContact N-O 3.22Å; K13-A53 WeakPolarHBondContact O-CA 3.49Å; K13-A53 PolarHBondContact O-N 2.81Å
14G96.9Very high88.3Confident40 Ų4056.9 Ų56.941%0.41231%0.308SS..SBendtrans80.88.4170.700000115.8D27 S54G14-D27 PolarHBondContact N-OD1 2.76Å; G14-S54 WeakPolarHBondContact O-CA 3.25Å
15G98Very high91.2Very high2 Ų254.4 Ų54.42%0.02129%0.291CS..  trans-89.8173.1-178.900000114.7K13 A26 A53K13-G15 PolarHBondContact O-N 3.26Å; G15-A26 PolarHBondContact O-N 3.38Å; G15-A53 WeakPolarHBondContact CA-O 3.43Å
16K98.8Very high93.9Very high98 Ų9846.8 Ų46.843%0.42625%0.254SS..EExtended strand (participates in β ladder)trans-102.2112.8168-66.8178.9-178.5177.20109.5V18 T23 Q24 E25 K56 L57 V58K16-V18 PolarHBondContact O-N 3.39Å; K16-T23 HydrophobicContact CB-CG2 4Å; K16-T23 HydrophobicContact CD-CG2 4.42Å; K16-Q24 CarbonylContact C-O 3.59Å; K16-Q24 WeakPolarHBondContact CA-O 3.42Å; K16-E25 HydrophobicContact CG-CG 4.23Å; K16-K56 PolarHBondContact N-O 3.05Å; K16-L57 HydrophobicContact CB-CD2 3.99Å; K16-L57 HydrophobicContact CD-CD2 4.32Å; K16-L57 CarbonylContact O-C 3.43Å; K16-L57 WeakPolarHBondContact O-CA 3.28Å; K16-V58 PolarHBondContact O-N 2.9Å
17V98.9Very high96Very high0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-71.1121171175.10000108.6T23 Q24 A26 V28 V38 V58 I394V17-T23 CarbonylContact O-C 3.46Å; V17-T23 WeakPolarHBondContact O-CA 3.47Å; V17-Q24 HydrophobicContact CB-CG 4.22Å; V17-Q24 PolarHBondContact N-O 2.95Å; V17-Q24 PolarHBondContact O-N 2.9Å; V17-A26 HydrophobicContact CG2-CB 3.94Å; V17-V28 HydrophobicContact CG2-CG2 3.61Å; V17-V38 HydrophobicContact CG2-CG1 4.16Å; V17-V58 WeakPolarHBondContact CA-O 3.27Å; V17-V58 HydrophobicContact CG2-CB 4.24Å; V17-I394 HydrophobicContact CG1-CB 3.64Å; V17-I394 HydrophobicContact CG1-CG1 4.24Å; V17-I394 HydrophobicContact CG1-CG2 3.63Å; V17-I394 HydrophobicContact CG2-CG2 4.16Å
18V98.9Very high97.7Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-113.4114.3177-176.20000107.5K16 T23 L57 V58 L59 P60 E370 V374K16-V18 PolarHBondContact O-N 3.39Å; V18-T23 HydrophobicContact CG2-CG2 3.93Å; V18-L57 HydrophobicContact CG2-CB 4.03Å; V18-L57 HydrophobicContact CG2-CD1 4.26Å; V18-L57 HydrophobicContact CG2-CD2 3.98Å; V18-L57 HydrophobicContact CG2-CG 4.31Å; V18-V58 PolarHBondContact N-O 2.98Å; V18-L59 HydrophobicContact CB-CD2 3.49Å; V18-L59 VanDerWaalsContact CB-CD2 3.49Å; V18-L59 HydrophobicContact CG1-CD2 4.18Å; V18-L59 HydrophobicContact CG2-CD2 3.79Å; V18-P60 WeakPolarHBondContact O-CD 3.35Å; V18-E370 HydrophobicContact CG1-CB 4.05Å; V18-E370 HydrophobicContact CG1-CG 3.82Å; V18-E370 HydrophobicContact CG2-CG 4.46Å; V18-V374 HydrophobicContact CB-CG2 4.34Å; V18-V374 HydrophobicContact CG1-CG2 3.84Å
19N98.9Very high98.4Very high4 Ų438.1 Ų38.12%0.02119%0.191CC..  trans-105.7176.7167.5-77.3-50.5000109.6D21 F22 N371 R393 I394N19-D21 WeakPolarHBondContact CB-OD1 3.35Å; N19-D21 PolarHBondContact O-N 2.8Å; N19-F22 PolarHBondContact N-O 2.98Å; N19-N371 WeakPolarHBondContact O-CA 3.35Å; N19-N371 WeakPolarHBondContact O-CB 3.38Å; N19-N371 PolarHBondContact O-ND2 3.23Å; N19-R393 WeakPolarHBondContact OD1-CA 3.38Å; N19-R393 WeakPolarHBondContact OD1-CG 3.39Å; N19-I394 PolarHBondContact ND2-O 2.63Å; N19-I394 VanDerWaalsContact ND2-O 3.08Å; N19-I394 PolarHBondContact OD1-N 3.38Å
20D98.8Very high98.5Very high32 Ų3235.4 Ų35.417%0.17118%0.181CC..SBendtrans-67.5-15.617962.9-50.4000114.6N371 V374 A375 K383 R393D20-N371 WeakPolarHBondContact CA-O 3.32Å; D20-V374 HydrophobicContact CB-CG1 4.38Å; D20-A375 HydrophobicContact CB-CB 3.87Å; D20-K383 IonicContact OD2-NZ 3.62Å; D20-K383 PolarHBondContact OD2-NZ 3.29Å; D20-R393 IonicContact OD1-NH1 3.55Å; D20-R393 PolarHBondContact OD1-NH1 2.75Å
21D98.6Very high98.5Very high88 Ų8837.5 Ų37.547%0.47119%0.191SC..SBendtrans-105-35.5-177.157.3-27.6000114.4N19 R393N19-D21 WeakPolarHBondContact CB-OD1 3.35Å; N19-D21 PolarHBondContact O-N 2.8Å; D21-R393 VanDerWaalsContact CG-NH1 3.33Å; D21-R393 IonicContact OD1-CZ 2.76Å; D21-R393 VanDerWaalsContact OD1-CZ 3.23Å; D21-R393 IonicContact OD1-NH1 3.03Å; D21-R393 PolarHBondContact OD1-NH1 3.36Å; D21-R393 IonicContact OD1-NH2 2.86Å; D21-R393 PolarHBondContact OD1-NH2 3.2Å; D21-R393 IonicContact OD2-CZ 3.5Å; D21-R393 IonicContact OD2-NH1 3.42Å; D21-R393 PolarHBondContact OD2-NH1 3.35Å; D21-R393 IonicContact OD2-NH2 3.65Å; D21-R393 PolarHBondContact OD2-NH2 3Å
22F98.3Very high98.3Very high87 Ų8742.2 Ų42.238%0.38222%0.216SC..  trans-161.9166.3176.167.5-86.6000112.9N19 Q24 N371N19-F22 PolarHBondContact N-O 2.98Å; F22-Q24 HydrophobicContact CD2-CB 4.15Å; F22-Q24 HydrophobicContact CD2-CG 4.38Å; F22-Q24 HydrophobicContact CE2-CB 3.89Å; F22-Q24 HydrophobicContact CE2-CG 3.75Å; F22-N371 WeakPolarHBondContact CA-ND2 3.35Å; F22-N371 PolarHBondContact O-ND2 3.28Å
23T98.9Very high98.2Very high46 Ų4642.9 Ų42.928%0.28222%0.223SC..EExtended strand (participates in β ladder)trans-109.6136.3172.5-63.20000110.7K16 V17 V18 E370 N371K16-T23 HydrophobicContact CB-CG2 4Å; K16-T23 HydrophobicContact CD-CG2 4.42Å; V17-T23 CarbonylContact O-C 3.46Å; V17-T23 WeakPolarHBondContact O-CA 3.47Å; V18-T23 HydrophobicContact CG2-CG2 3.93Å; T23-E370 WeakPolarHBondContact CB-OE1 3.49Å; T23-E370 VanDerWaalsContact CG2-OE1 3.27Å; T23-E370 WeakPolarHBondContact CG2-OE1 3.41Å; T23-E370 PolarHBondContact OG1-OE1 3.06Å; T23-N371 PolarHBondContact N-ND2 2.82Å; T23-N371 PolarHBondContact OG1-ND2 3.27Å
24Q98.4Very high98.2Very high75 Ų7539.9 Ų39.935%0.3521%0.212SC..EExtended strand (participates in β ladder)trans-141.7148.8174.6661759.400112.6K16 V17 F22 A26K16-Q24 CarbonylContact C-O 3.59Å; K16-Q24 WeakPolarHBondContact CA-O 3.42Å; V17-Q24 HydrophobicContact CB-CG 4.22Å; V17-Q24 PolarHBondContact N-O 2.95Å; V17-Q24 PolarHBondContact O-N 2.9Å; F22-Q24 HydrophobicContact CD2-CB 4.15Å; F22-Q24 HydrophobicContact CD2-CG 4.38Å; F22-Q24 HydrophobicContact CE2-CB 3.89Å; F22-Q24 HydrophobicContact CE2-CG 3.75Å; Q24-A26 HydrophobicContact CG-CB 4.27Å; Q24-A26 PolarHBondContact O-N 3.45Å
25E98.6Very high98.3Very high115 Ų11538 Ų3854%0.53719%0.192SC..EExtended strand (participates in β ladder)trans-72.7118.6166.1-69.6176.3172.300110.1K16 K40K16-E25 HydrophobicContact CG-CG 4.23Å; E25-K40 WeakPolarHBondContact O-CE 3.34Å; E25-K40 IonicContact OE2-NZ 2.93Å; E25-K40 PolarHBondContact OE2-NZ 3.37Å
26A98.6Very high98.3Very high5 Ų541.8 Ų41.84%0.04121%0.21CC..  trans-160.5147178.900000110.9G15 V17 Q24 V38G15-A26 PolarHBondContact O-N 3.38Å; V17-A26 HydrophobicContact CG2-CB 3.94Å; Q24-A26 HydrophobicContact CG-CB 4.27Å; Q24-A26 PolarHBondContact O-N 3.45Å; A26-V38 HydrophobicContact CB-CG1 3.85Å
27D98.6Very high98.3Very high19 Ų1940.8 Ų40.810%0.10221%0.206CC..EExtended strand (participates in β ladder)trans-80.9156.1164-57.9-26.4000109.4L11 I12 K13 G14 V38 G39 L42L11-D27 HydrophobicContact CD1-CB 4.14Å; I12-D27 CarbonylContact O-C 3.48Å; I12-D27 VanDerWaalsContact O-CA 3.23Å; I12-D27 WeakPolarHBondContact O-CA 3.41Å; I12-D27 WeakPolarHBondContact O-CB 3.47Å; K13-D27 VanDerWaalsContact CA-OD1 3.29Å; K13-D27 WeakPolarHBondContact CA-OD1 3.38Å; G14-D27 PolarHBondContact N-OD1 2.76Å; D27-V38 WeakPolarHBondContact O-CA 3.39Å; D27-G39 WeakPolarHBondContact CB-O 3.43Å; D27-G39 PolarHBondContact N-O 3Å; D27-G39 PolarHBondContact O-N 3.01Å; D27-G39 VanDerWaalsContact O-N 3.08Å; D27-L42 HydrophobicContact CB-CD1 3.78Å; D27-L42 HydrophobicContact CB-CG 4.02Å
28V98.8Very high98.3Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-127.3117.4177.8-176.10000109.3I12 V17 I30 I35 V38 V58 I394I12-V28 HydrophobicContact CB-CB 4.24Å; I12-V28 HydrophobicContact CD1-CB 4.36Å; I12-V28 PolarHBondContact N-O 2.99Å; I12-V28 PolarHBondContact O-N 3.2Å; V17-V28 HydrophobicContact CG2-CG2 3.61Å; V28-I30 HydrophobicContact CG1-CG1 4.24Å; V28-I35 HydrophobicContact CG1-CG1 4.27Å; V28-I35 HydrophobicContact CG1-CG2 3.86Å; V28-V38 HydrophobicContact CG1-CG2 4.41Å; V28-V38 HydrophobicContact CG2-CG1 4.49Å; V28-V38 HydrophobicContact CG2-CG2 4.44Å; V28-V58 HydrophobicContact CG2-CG1 4.03Å; V28-I394 HydrophobicContact CG1-CG2 4.26Å; V28-I394 HydrophobicContact CG2-CG2 3.8Å
29Y98.6Very high98.2Very high4 Ų443.2 Ų43.22%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-99.2127.5175178.3-119.7000110.6R9 I10 E31 Q36 Q37 I44 A48R9-Y29 HydrophobicContact CB-CE2 4.2Å; R9-Y29 VanDerWaalsContact CD-OH 3.22Å; R9-Y29 WeakPolarHBondContact CD-OH 3.42Å; R9-Y29 WeakPolarHBondContact CG-OH 3.29Å; I10-Y29 WeakPolarHBondContact O-CD2 3.44Å; Y29-E31 HydrophobicContact CE1-CB 4.11Å; Y29-E31 PolarHBondContact OH-OE2 2.78Å; Y29-Q36 HydrophobicContact CD1-CB 3.65Å; Y29-Q36 HydrophobicContact CD1-CG 4.18Å; Y29-Q36 HydrophobicContact CE1-CB 4.04Å; Y29-Q36 HydrophobicContact CE1-CG 4.12Å; Y29-Q36 PolarHBondContact O-N 2.8Å; Y29-Q37 PolarHBondContact N-O 3.13Å; Y29-Q37 PolarHBondContact O-N 2.8Å; Y29-I44 HydrophobicContact CD1-CG2 3.93Å; Y29-I44 HydrophobicContact CD2-CB 3.93Å; Y29-I44 HydrophobicContact CD2-CD1 4Å; Y29-I44 HydrophobicContact CD2-CG2 3.54Å; Y29-I44 HydrophobicContact CE1-CG2 4.46Å; Y29-I44 HydrophobicContact CE2-CB 3.97Å; Y29-I44 HydrophobicContact CE2-CD1 4.16Å; Y29-I44 HydrophobicContact CE2-CG2 4.07Å; Y29-I44 HydrophobicContact CG-CB 4.28Å; Y29-I44 HydrophobicContact CG-CG2 3.47Å; Y29-I44 VanDerWaalsContact CG-CG2 3.47Å; Y29-A48 HydrophobicContact CE2-CB 4.45Å
30I98.5Very high98.1Very high0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans-119.4133.8-177.3-67.6162000108.9R9 I10 I12 V28 I34 I35 A400 V402 I440R9-I30 WeakPolarHBondContact CA-O 3.48Å; I10-I30 HydrophobicContact CB-CB 4.21Å; I10-I30 PolarHBondContact N-O 2.65Å; I10-I30 PolarHBondContact O-N 3.36Å; I12-I30 HydrophobicContact CD1-CD1 4.13Å; V28-I30 HydrophobicContact CG1-CG1 4.24Å; I30-I34 WeakPolarHBondContact CA-O 3.23Å; I30-I35 HydrophobicContact CG1-CG1 4.24Å; I30-A400 HydrophobicContact CB-CB 4.21Å; I30-A400 HydrophobicContact CD1-CB 3.98Å; I30-A400 HydrophobicContact CG1-CB 3.81Å; I30-A400 HydrophobicContact CG2-CB 3.38Å; I30-V402 HydrophobicContact CD1-CG2 4.19Å; I30-I440 HydrophobicContact CD1-CD1 3.99Å; I30-I440 HydrophobicContact CD1-CG2 4.45Å
31E97.4Very high97.8Very high46 Ų4656.8 Ų56.822%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-147.6136.4173.6-179.6162.2-160.400110.2S7 R9 Y29 G33 I34 Q36S7-E31 PolarHBondContact OG-OE1 3.05Å; R9-E31 HydrophobicContact CG-CB 4.2Å; R9-E31 HydrophobicContact CG-CG 3.86Å; Y29-E31 HydrophobicContact CE1-CB 4.11Å; Y29-E31 PolarHBondContact OH-OE2 2.78Å; E31-G33 PolarHBondContact O-N 3.26Å; E31-I34 PolarHBondContact N-O 2.87Å; E31-I34 PolarHBondContact O-N 2.87Å; E31-I34 VanDerWaalsContact O-N 3.11Å; E31-Q36 HydrophobicContact CB-CG 3.71Å; E31-Q36 PolarHBondContact O-NE2 2.86Å
32N95Very high97.6Very high113 Ų11354 Ų5460%0.60427%0.27SS*.THydrogen-bonded Turntrans53.837.1177.2-61.3-38.5000113.9S7 I34S7-N32 PolarHBondContact OG-OD1 2.61Å; N32-I34 VanDerWaalsContact C-N 3.32Å; N32-I34 PolarHBondContact O-N 3.45Å
33G96.6Very high97.3Very high15 Ų1558.1 Ų58.116%0.15529%0.293CS..THydrogen-bonded Turntrans81.16.4177.400000115.6E31 A400 R442E31-G33 PolarHBondContact O-N 3.26Å; G33-A400 WeakPolarHBondContact O-CB 3.45Å; G33-A400 PolarHBondContact O-N 2.86Å; G33-R442 VanDerWaalsContact CA-O 3.24Å; G33-R442 WeakPolarHBondContact CA-O 3.45Å
34I98.5Very high96.9Very high48 Ų4858.1 Ų58.125%0.24629%0.291CS..EExtended strand (participates in β ladder)trans-125.6142.6-176.3-59.7-62.7000109.7I30 E31 N32 Q36 A398I30-I34 WeakPolarHBondContact CA-O 3.23Å; E31-I34 PolarHBondContact N-O 2.87Å; E31-I34 PolarHBondContact O-N 2.87Å; E31-I34 VanDerWaalsContact O-N 3.11Å; N32-I34 VanDerWaalsContact C-N 3.32Å; N32-I34 PolarHBondContact O-N 3.45Å; I34-Q36 PolarHBondContact O-N 2.87Å; I34-A398 WeakPolarHBondContact CA-O 3.32Å
35I98.8Very high96.4Very high0 Ų057.8 Ų57.80%030%0.295CS..EExtended strand (participates in β ladder)trans-71.7116.9169.2-63.3168.4000107.7V28 I30 V38 I394 V395 P396 G397 A398 A400 V402V28-I35 HydrophobicContact CG1-CG1 4.27Å; V28-I35 HydrophobicContact CG1-CG2 3.86Å; I30-I35 HydrophobicContact CG1-CG1 4.24Å; I35-V38 HydrophobicContact CG2-CG2 3.64Å; I35-I394 HydrophobicContact CD1-CD1 3.98Å; I35-I394 HydrophobicContact CD1-CG2 4.2Å; I35-V395 WeakPolarHBondContact CB-O 3.34Å; I35-P396 CarbonylContact O-C 3.54Å; I35-P396 WeakPolarHBondContact O-CA 3.35Å; I35-G397 PolarHBondContact O-N 3.5Å; I35-A398 HydrophobicContact CD1-CB 4.32Å; I35-A398 PolarHBondContact N-O 3.1Å; I35-A400 HydrophobicContact CG1-CB 4.22Å; I35-V402 HydrophobicContact CD1-CG2 4.1Å
36Q98.3Very high96Very high83 Ų8355.5 Ų55.539%0.38830%0.303SS..EExtended strand (participates in β ladder)trans-92.9-41-177.4-63.9-59.3-30.400112.2Y29 E31 I34Y29-Q36 HydrophobicContact CD1-CB 3.65Å; Y29-Q36 HydrophobicContact CD1-CG 4.18Å; Y29-Q36 HydrophobicContact CE1-CB 4.04Å; Y29-Q36 HydrophobicContact CE1-CG 4.12Å; Y29-Q36 PolarHBondContact O-N 2.8Å; E31-Q36 HydrophobicContact CB-CG 3.71Å; E31-Q36 PolarHBondContact O-NE2 2.86Å; I34-Q36 PolarHBondContact O-N 2.87Å
37Q98.4Very high95.6Very high76 Ų7658.7 Ų58.736%0.35534%0.336SS..EExtended strand (participates in β ladder)trans-143.1144.8-177.1-58.8-178.940.800110.4Y29 L42Y29-Q37 PolarHBondContact N-O 3.13Å; Y29-Q37 PolarHBondContact O-N 2.8Å; Q37-L42 HydrophobicContact CB-CD1 4.07Å; Q37-L42 HydrophobicContact CB-CD2 4.01Å
38V98.6Very high95.4Very high32 Ų3258.8 Ų58.819%0.19434%0.339CS..EExtended strand (participates in β ladder)trans-134.3122171.2-178.70000106.9V17 A26 D27 V28 I35 I394 P396V17-V38 HydrophobicContact CG2-CG1 4.16Å; A26-V38 HydrophobicContact CB-CG1 3.85Å; D27-V38 WeakPolarHBondContact O-CA 3.39Å; V28-V38 HydrophobicContact CG1-CG2 4.41Å; V28-V38 HydrophobicContact CG2-CG1 4.49Å; V28-V38 HydrophobicContact CG2-CG2 4.44Å; I35-V38 HydrophobicContact CG2-CG2 3.64Å; V38-I394 HydrophobicContact CG2-CG2 4.06Å; V38-P396 HydrophobicContact CG2-CG 4.41Å
39G97.8Very high95.3Very high20 Ų2063 Ų6321%0.20636%0.357CS..EExtended strand (participates in β ladder)trans167.6179.2-176.500000113.2D27D27-G39 WeakPolarHBondContact CB-O 3.43Å; D27-G39 PolarHBondContact N-O 3Å; D27-G39 PolarHBondContact O-N 3.01Å; D27-G39 VanDerWaalsContact O-N 3.08Å
40K95.8Very high95.2Very high139 Ų13967 Ų6760%0.60438%0.382SS*.SBendtrans-87146.6175.6-63.1-171.4171.5-161.40110.1E25 L42E25-K40 WeakPolarHBondContact O-CE 3.34Å; E25-K40 IonicContact OE2-NZ 2.93Å; E25-K40 PolarHBondContact OE2-NZ 3.37Å; K40-L42 PolarHBondContact O-N 2.95Å
41E92.4Very high95.1Very high182 Ų18267.4 Ų67.485%0.8538%0.384SS*.SBendtrans5448.4171.7-58.5-177.6167.500113.5M43E41-M43 PolarHBondContact O-N 2.94Å
42L94.9Very high95.1Very high29 Ų2970.6 Ų70.615%0.15240%0.403CS..  trans-62129.3-175.1-61.1-178.6000112.3L11 D27 Q37 K40 I44L11-L42 HydrophobicContact CD1-CD1 4.15Å; D27-L42 HydrophobicContact CB-CD1 3.78Å; D27-L42 HydrophobicContact CB-CG 4.02Å; Q37-L42 HydrophobicContact CB-CD1 4.07Å; Q37-L42 HydrophobicContact CB-CD2 4.01Å; K40-L42 PolarHBondContact O-N 2.95Å; L42-I44 HydrophobicContact CB-CG2 3.93Å; L42-I44 PolarHBondContact O-N 3.42Å
43M90.9Very high95.3Very high173 Ų17365.2 Ų65.285%0.85237%0.374SS*.  trans-82.1105.3167.5-68.3-166.5-62.600109.3E41E41-M43 PolarHBondContact O-N 2.94Å
44I91.4Very high95.4Very high47 Ų4767.7 Ų67.724%0.24139%0.389CS..  trans-119.8151.6-178.465.4160.9000111.8L11 Y29 L42 A48L11-I44 HydrophobicContact CB-CD1 3.73Å; L11-I44 HydrophobicContact CD1-CD1 4.18Å; L11-I44 HydrophobicContact CD2-CD1 3.67Å; L11-I44 HydrophobicContact CD2-CG1 4.48Å; L11-I44 HydrophobicContact CG-CD1 4.04Å; Y29-I44 HydrophobicContact CD1-CG2 3.93Å; Y29-I44 HydrophobicContact CD2-CB 3.93Å; Y29-I44 HydrophobicContact CD2-CD1 4Å; Y29-I44 HydrophobicContact CD2-CG2 3.54Å; Y29-I44 HydrophobicContact CE1-CG2 4.46Å; Y29-I44 HydrophobicContact CE2-CB 3.97Å; Y29-I44 HydrophobicContact CE2-CD1 4.16Å; Y29-I44 HydrophobicContact CE2-CG2 4.07Å; Y29-I44 HydrophobicContact CG-CB 4.28Å; Y29-I44 HydrophobicContact CG-CG2 3.47Å; Y29-I44 VanDerWaalsContact CG-CG2 3.47Å; L42-I44 HydrophobicContact CB-CG2 3.93Å; L42-I44 PolarHBondContact O-N 3.42Å; I44-A48 HydrophobicContact CD1-CB 3.89Å
45P88.3Confident95.3Very high68 Ų6868.1 Ų68.144%0.44241%0.405SS..  trans-64.7142.7174.5-16.730.7000111.2R9R9-P45 PolarHBondContact NH1-O 2.83Å
46G89Confident95.3Very high67 Ų6770.1 Ų70.169%0.69141%0.414SS*.SBendtrans-63.3154-177.300000114.4R9R9-G46 PolarHBondContact NH1-O 3.4Å; R9-G46 PolarHBondContact NH2-O 3.24Å
47G90.6Very high95.3Very high72 Ų7266.6 Ų66.674%0.74240%0.397SS*.  trans90.715.6178.200000115.6
48A95.2Very high95.4Very high20 Ų2063 Ų6317%0.16538%0.38CS..PPolyproline II helixtrans-76.7144.5169.500000111.4R9 Y29 I44 V50R9-A48 HydrophobicContact CB-CB 3.81Å; R9-A48 CarbonylContact O-C 3.51Å; R9-A48 WeakPolarHBondContact O-CA 3.17Å; Y29-A48 HydrophobicContact CE2-CB 4.45Å; I44-A48 HydrophobicContact CD1-CB 3.89Å; A48-V50 PolarHBondContact O-N 2.79Å
49K95.3Very high95.4Very high89 Ų8961.5 Ų61.539%0.38737%0.371SS..EExtended strand (participates in β ladder)trans-69.5120.6167.2175.3166.8175.2164.40108.2R9 I10 L11 L445 E448R9-K49 PolarHBondContact O-N 2.67Å; I10-K49 CarbonylContact C-O 3.56Å; I10-K49 WeakPolarHBondContact CA-O 3.26Å; L11-K49 PolarHBondContact N-O 3.18Å; K49-L445 HydrophobicContact CD-CD2 4.23Å; K49-E448 IonicContact NZ-OE1 2.9Å; K49-E448 PolarHBondContact NZ-OE1 2.9Å; K49-E448 IonicContact NZ-OE2 3.73Å; K49-E448 PolarHBondContact NZ-OE2 3.27Å
50V96.6Very high95.4Very high88 Ų8860.6 Ų60.653%0.53336%0.362SS..EExtended strand (participates in β ladder)trans-90.5130.4176.2-176.50000109.2L11 K13 A48L11-V50 HydrophobicContact CB-CG2 4.49Å; L11-V50 HydrophobicContact CD2-CG2 4.47Å; L11-V50 CarbonylContact O-C 3.54Å; L11-V50 WeakPolarHBondContact O-CA 3.17Å; K13-V50 HydrophobicContact CB-CG1 4.21Å; A48-V50 PolarHBondContact O-N 2.79Å
51I97.7Very high95.6Very high8 Ų854.1 Ų54.14%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-113.5117.4173.3-60.3171.9000106.6I10 L11 I12 K13 A53 V404 V438 I440 L445I10-I51 HydrophobicContact CG2-CD1 3.48Å; I10-I51 VanDerWaalsContact CG2-CD1 3.48Å; I10-I51 HydrophobicContact CG2-CG1 4.08Å; L11-I51 PolarHBondContact O-N 2.76Å; I12-I51 WeakPolarHBondContact CA-O 3.47Å; K13-I51 PolarHBondContact N-O 3.22Å; I51-A53 PolarHBondContact O-N 3.49Å; I51-V404 HydrophobicContact CG2-CG2 4.12Å; I51-V438 HydrophobicContact CD1-CG1 4.13Å; I51-V438 HydrophobicContact CG2-CG2 4.17Å; I51-I440 HydrophobicContact CD1-CD1 3.89Å; I51-L445 HydrophobicContact CD1-CD1 4.49Å
52D97.6Very high95.9Very high114 Ų11445.4 Ų45.461%0.6129%0.294SS*.EExtended strand (participates in β ladder)trans-77.3116.9176.5-1745.4000109.8S54D52-S54 WeakPolarHBondContact OD1-CB 3.19Å; D52-S54 PolarHBondContact OD1-N 2.79Å; D52-S54 PolarHBondContact OD1-OG 2.98Å
53A98.3Very high96.1Very high0 Ų044.1 Ų44.10%029%0.287CS..  trans-111.421.1176.800000111.5I12 K13 G15 I51 G55 K56 V58 V404I12-A53 HydrophobicContact CG2-CB 3.59Å; K13-A53 WeakPolarHBondContact O-CA 3.49Å; K13-A53 PolarHBondContact O-N 2.81Å; G15-A53 WeakPolarHBondContact CA-O 3.43Å; I51-A53 PolarHBondContact O-N 3.49Å; A53-G55 PolarHBondContact O-N 3.19Å; A53-K56 HydrophobicContact CB-CB 4.21Å; A53-K56 WeakPolarHBondContact O-CA 3.5Å; A53-K56 VanDerWaalsContact O-CB 3.25Å; A53-K56 WeakPolarHBondContact O-CB 3.34Å; A53-K56 PolarHBondContact O-N 3.39Å; A53-V58 HydrophobicContact CB-CG2 4.05Å; A53-V404 HydrophobicContact CB-CG1 3.85Å
54S98Very high96.4Very high67 Ų6735.9 Ų35.947%0.46925%0.246SC..THydrogen-bonded Turntrans-55.7122.3177.7-61.10000111.8G14 D52 K56G14-S54 WeakPolarHBondContact O-CA 3.25Å; D52-S54 WeakPolarHBondContact OD1-CB 3.19Å; D52-S54 PolarHBondContact OD1-N 2.79Å; D52-S54 PolarHBondContact OD1-OG 2.98Å; S54-K56 PolarHBondContact O-N 2.92Å; S54-K56 PolarHBondContact O-NZ 3.38Å
55G97.4Very high96.8Very high56 Ų5633.6 Ų33.658%0.57724%0.235SC*.THydrogen-bonded Turntrans67.517.2-17500000114.2A53A53-G55 PolarHBondContact O-N 3.19Å
56K98.6Very high97.3Very high43 Ų4330.6 Ų30.619%0.18722%0.215CC..  trans-113.7161.6178.2-49.4-64.8169.9-89.50110.6K16 A53 S54 V404 W405 D406 L437K16-K56 PolarHBondContact N-O 3.05Å; A53-K56 HydrophobicContact CB-CB 4.21Å; A53-K56 WeakPolarHBondContact O-CA 3.5Å; A53-K56 VanDerWaalsContact O-CB 3.25Å; A53-K56 WeakPolarHBondContact O-CB 3.34Å; A53-K56 PolarHBondContact O-N 3.39Å; S54-K56 PolarHBondContact O-N 2.92Å; S54-K56 PolarHBondContact O-NZ 3.38Å; K56-V404 HydrophobicContact CB-CG1 3.71Å; K56-V404 HydrophobicContact CG-CG1 4.11Å; K56-W405 WeakPolarHBondContact CB-O 3.48Å; K56-D406 HydrophobicContact CD-CB 3.66Å; K56-D406 WeakPolarHBondContact CE-OD2 3.35Å; K56-D406 IonicContact NZ-OD2 3.96Å; K56-L437 HydrophobicContact CD-CD1 3.71Å; K56-L437 HydrophobicContact CG-CD1 4.3Å
57L98.9Very high97.7Very high8 Ų827.5 Ų27.54%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-95.5146.5171.8-48.3-179.5000109.7K16 V18 L59 W359 V404 W405 P407K16-L57 HydrophobicContact CB-CD2 3.99Å; K16-L57 HydrophobicContact CD-CD2 4.32Å; K16-L57 CarbonylContact O-C 3.43Å; K16-L57 WeakPolarHBondContact O-CA 3.28Å; V18-L57 HydrophobicContact CG2-CB 4.03Å; V18-L57 HydrophobicContact CG2-CD1 4.26Å; V18-L57 HydrophobicContact CG2-CD2 3.98Å; V18-L57 HydrophobicContact CG2-CG 4.31Å; L57-L59 HydrophobicContact CB-CD2 3.71Å; L57-L59 HydrophobicContact CB-CG 4.26Å; L57-L59 HydrophobicContact CD1-CD2 4.43Å; L57-W359 HydrophobicContact CD1-CH2 3.43Å; L57-W359 VanDerWaalsContact CD1-CH2 3.43Å; L57-W359 HydrophobicContact CD1-CZ2 4.25Å; L57-W359 HydrophobicContact CD1-CZ3 4.06Å; L57-V404 CarbonylContact O-C 3.57Å; L57-V404 WeakPolarHBondContact O-CA 3.17Å; L57-W405 HydrophobicContact CB-CB 4.25Å; L57-W405 PolarHBondContact N-O 3.23Å; L57-W405 PolarHBondContact O-N 2.99Å; L57-P407 HydrophobicContact CD1-CB 4.32Å; L57-P407 HydrophobicContact CD1-CG 4.44Å; L57-P407 HydrophobicContact CG-CG 4.24Å
58V98.9Very high98.1Very high0 Ų024.1 Ų24.10%015%0.148CC..EExtended strand (participates in β ladder)trans-117.3102.2176-174.90000106.9I12 K16 V17 V18 V28 A53 V402 V403I12-V58 HydrophobicContact CD1-CG1 4.05Å; I12-V58 HydrophobicContact CG2-CG1 4.39Å; I12-V58 HydrophobicContact CG2-CG2 3.75Å; K16-V58 PolarHBondContact O-N 2.9Å; V17-V58 WeakPolarHBondContact CA-O 3.27Å; V17-V58 HydrophobicContact CG2-CB 4.24Å; V18-V58 PolarHBondContact N-O 2.98Å; V28-V58 HydrophobicContact CG2-CG1 4.03Å; A53-V58 HydrophobicContact CB-CG2 4.05Å; V58-V402 HydrophobicContact CG1-CG1 3.47Å; V58-V402 VanDerWaalsContact CG1-CG1 3.47Å; V58-V403 WeakPolarHBondContact CA-O 3.44Å
59L98.8Very high98.2Very high1 Ų123.7 Ų23.71%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-107.4151.8-171.2-46-176.5000110.2V18 L57 G61 F373 V374 V402 V403 W405V18-L59 HydrophobicContact CB-CD2 3.49Å; V18-L59 VanDerWaalsContact CB-CD2 3.49Å; V18-L59 HydrophobicContact CG1-CD2 4.18Å; V18-L59 HydrophobicContact CG2-CD2 3.79Å; L57-L59 HydrophobicContact CB-CD2 3.71Å; L57-L59 HydrophobicContact CB-CG 4.26Å; L57-L59 HydrophobicContact CD1-CD2 4.43Å; L59-G61 PolarHBondContact O-N 3.46Å; L59-F373 HydrophobicContact CD1-CD1 4.35Å; L59-F373 HydrophobicContact CD1-CE1 3.88Å; L59-V374 HydrophobicContact CB-CG2 4.47Å; L59-V374 HydrophobicContact CD2-CG2 4.02Å; L59-V402 WeakPolarHBondContact O-CA 3.08Å; L59-V403 PolarHBondContact N-O 3.19Å; L59-V403 PolarHBondContact O-N 3.39Å; L59-W405 HydrophobicContact CD1-CB 3.71Å; L59-W405 HydrophobicContact CD1-CD2 4.2Å; L59-W405 HydrophobicContact CD1-CG 3.81Å; L59-W405 HydrophobicContact CG-CB 4Å
60P98.9Very high98.1Very high2 Ų222.6 Ų22.61%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-55.3138.9157.7-1729.8000109.3V18 V374 I394V18-P60 WeakPolarHBondContact O-CD 3.35Å; P60-V374 HydrophobicContact CG-CG1 3.8Å; P60-I394 HydrophobicContact CB-CD1 4.42Å; P60-I394 HydrophobicContact CG-CD1 4.3Å; P60-I394 HydrophobicContact CG-CG1 4.02Å
61G98.9Very high97.9Very high2 Ų219.9 Ų19.92%0.02112%0.12CC..PPolyproline II helixtrans-60.1143.8172.800000111.5L59 T95 D401L59-G61 PolarHBondContact O-N 3.46Å; G61-T95 VanDerWaalsContact CA-OG1 3.28Å; G61-T95 WeakPolarHBondContact CA-OG1 3.18Å; G61-D401 PolarHBondContact N-O 3.37Å
62G98.9Very high97.7Very high0 Ų023.8 Ų23.80%014%0.144CC..EExtended strand (participates in β ladder)trans-60.3145.6-17800000111.8G93 T94 T95 M96G62-G93 PolarHBondContact N-O 3.33Å; G62-T94 CarbonylContact O-C 3.54Å; G62-T94 WeakPolarHBondContact O-CA 3.36Å; G62-T94 VanDerWaalsContact O-CG2 3.29Å; G62-T94 WeakPolarHBondContact O-CG2 3.23Å; G62-T95 PolarHBondContact O-N 3.05Å; G62-M96 PolarHBondContact O-N 3.08Å
63I98.9Very high97.6Very high1 Ų119.2 Ų19.21%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-112.4115.9169.8-54.1-178.5000107.2T65 M96 R354 T377 A381 A382 K391I63-T65 HydrophobicContact CG2-CG2 4.4Å; I63-M96 WeakPolarHBondContact CA-O 3.24Å; I63-M96 HydrophobicContact CG1-CB 4.29Å; I63-M96 HydrophobicContact CG2-CB 4.31Å; I63-M96 HydrophobicContact CG2-CG 4.31Å; I63-M96 HydrophobicContact CG2-SD 4.36Å; I63-R354 PolarHBondContact O-NH1 3.08Å; I63-R354 PolarHBondContact O-NH2 2.94Å; I63-T377 PolarHBondContact N-O 3.1Å; I63-T377 VanDerWaalsContact O-O 3.12Å; I63-A381 HydrophobicContact CB-CB 4.01Å; I63-A381 HydrophobicContact CG2-CB 3.92Å; I63-A382 HydrophobicContact CD1-CB 3.85Å; I63-K391 HydrophobicContact CD1-CB 4.02Å
64D98.9Very high97.4Very high0 Ų021.6 Ų21.60%013%0.131CC..EExtended strand (participates in β ladder)trans-94.9109.4174.5-161.6-20.3000109.6C66 V67 T94 M96 V97 M98 A323 S324 R354D64-C66 VanDerWaalsContact C-N 3.28Å; D64-C66 PolarHBondContact O-N 3.07Å; D64-C66 PolarHBondContact OD1-N 3.48Å; D64-V67 HydrophobicContact CB-CG1 4.26Å; D64-T94 HydrophobicContact CB-CG2 3.81Å; D64-M96 PolarHBondContact N-O 2.82Å; D64-V97 HydrophobicContact CB-CG1 4.34Å; D64-V97 CarbonylContact O-C 3.43Å; D64-V97 WeakPolarHBondContact O-CA 3.19Å; D64-M98 PolarHBondContact O-N 3.18Å; D64-A323 WeakPolarHBondContact OD1-CA 3.43Å; D64-S324 VanDerWaalsContact CG-OG 3.29Å; D64-S324 PolarHBondContact OD1-N 3.27Å; D64-S324 PolarHBondContact OD1-OG 3.38Å; D64-S324 WeakPolarHBondContact OD2-CB 3.34Å; D64-S324 PolarHBondContact OD2-N 3.41Å; D64-S324 PolarHBondContact OD2-OG 2.9Å; D64-R354 IonicContact OD2-NE 3.48Å
65T98.8Very high97.2Very high0 Ų025.9 Ų25.90%015%0.149CC..EExtended strand (participates in β ladder)trans-82.1-2.3-170.9400000113.9I63 M98 H131 R189 E270 V321 A381 Y385I63-T65 HydrophobicContact CG2-CG2 4.4Å; T65-M98 HydrophobicContact CG2-SD 4.13Å; T65-H131 PolarHBondContact O-NE2 2.92Å; T65-R189 PolarHBondContact O-NH1 2.8Å; T65-E270 WeakPolarHBondContact CB-OE2 3.42Å; T65-E270 PolarHBondContact OG1-OE2 3.48Å; T65-V321 HydrophobicContact CG2-CG1 3.98Å; T65-V321 VanDerWaalsContact OG1-CG1 3.28Å; T65-V321 WeakPolarHBondContact OG1-CG1 3.28Å; T65-A381 HydrophobicContact CG2-CB 3.34Å; T65-Y385 HydrophobicContact CG2-CD2 3.97Å; T65-Y385 HydrophobicContact CG2-CE2 3.59Å
66C98.1Very high97.1Very high5 Ų523.3 Ų23.33%0.03412%0.122CC..EExtended strand (participates in β ladder)trans-153.3109.4173.1-161.60000111.7D64 M98 A323 E325D64-C66 VanDerWaalsContact C-N 3.28Å; D64-C66 PolarHBondContact O-N 3.07Å; D64-C66 PolarHBondContact OD1-N 3.48Å; C66-M98 WeakPolarHBondContact CA-O 3.34Å; C66-A323 HydrophobicContact CB-CB 4.02Å; C66-E325 VanDerWaalsContact O-CA 3.29Å; C66-E325 WeakPolarHBondContact O-CA 3.44Å; C66-E325 PolarHBondContact O-N 3.42Å
67V98.6Very high97Very high1 Ų124.4 Ų24.41%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-130.8156.5168.5-56.90000110.6D64 L69 V97 M98 A99 L100 H326 V351D64-V67 HydrophobicContact CB-CG1 4.26Å; V67-L69 HydrophobicContact CB-CG 4.34Å; V67-L69 HydrophobicContact CG2-CD1 3.94Å; V67-L69 HydrophobicContact CG2-CG 3.97Å; V67-V97 HydrophobicContact CG1-CB 4.26Å; V67-V97 HydrophobicContact CG1-CG1 4.32Å; V67-V97 HydrophobicContact CG2-CB 3.84Å; V67-V97 HydrophobicContact CG2-CG2 4.12Å; V67-M98 PolarHBondContact N-O 3.44Å; V67-A99 HydrophobicContact CG2-CB 3.92Å; V67-A99 VanDerWaalsContact O-CA 3.28Å; V67-A99 WeakPolarHBondContact O-CA 3.49Å; V67-L100 PolarHBondContact O-N 2.96Å; V67-L100 VanDerWaalsContact O-N 3.13Å; V67-H326 HydrophobicContact CG1-CB 4.28Å; V67-V351 HydrophobicContact CG1-CG2 4.17Å
68H98.4Very high96.9Very high2 Ų224.7 Ų24.71%0.00914%0.136CC..  trans-124.1111.4172.8-60.9-93.2000107.7Q71 I78 E325 H326 R327H68-Q71 PolarHBondContact ND1-OE1 3.07Å; H68-I78 HydrophobicContact CB-CD1 3.48Å; H68-I78 VanDerWaalsContact CB-CD1 3.48Å; H68-I78 WeakPolarHBondContact O-CD1 3.46Å; H68-E325 VanDerWaalsContact CD2-CD 3.49Å; H68-E325 IonicContact CD2-OE1 2.82Å; H68-E325 IonicContact CD2-OE2 2.77Å; H68-E325 PolarHBondContact CD2-OE2 2.83Å; H68-E325 IonicContact NE2-OE1 3.33Å; H68-E325 PolarHBondContact NE2-OE1 3.38Å; H68-E325 IonicContact NE2-OE2 2.81Å; H68-E325 PolarHBondContact NE2-OE2 3.46Å; H68-H326 PolarHBondContact N-O 2.87Å; H68-H326 VanDerWaalsContact O-O 3.13Å; H68-R327 HydrophobicContact CB-CB 4.01Å; H68-R327 HydrophobicContact CB-CG 3.82Å; H68-R327 PolarHBondContact CD2-NE 3.19Å; H68-R327 PolarHBondContact CD2-NH2 3Å; H68-R327 PolarHBondContact CE1-NH2 2.97Å; H68-R327 VanDerWaalsContact CG-NE 3.32Å; H68-R327 PolarHBondContact ND1-NH2 3.17Å; H68-R327 PolarHBondContact NE2-NH2 3.08Å
69L97.6Very high96.8Very high10 Ų1028.9 Ų28.95%0.05216%0.156CC..  trans-126.2136.8-175-60178.1000109.1V67 Q71 D80 F82 T86V67-L69 HydrophobicContact CB-CG 4.34Å; V67-L69 HydrophobicContact CG2-CD1 3.94Å; V67-L69 HydrophobicContact CG2-CG 3.97Å; L69-Q71 PolarHBondContact O-N 2.92Å; L69-D80 HydrophobicContact CD2-CB 4.06Å; L69-F82 HydrophobicContact CB-CD1 4.17Å; L69-F82 HydrophobicContact CB-CD2 4.26Å; L69-F82 HydrophobicContact CB-CE1 4.16Å; L69-F82 HydrophobicContact CB-CE2 4.25Å; L69-F82 HydrophobicContact CB-CG 4.22Å; L69-F82 HydrophobicContact CB-CZ 4.19Å; L69-F82 HydrophobicContact CD1-CD1 3.86Å; L69-F82 HydrophobicContact CD1-CE1 4.17Å; L69-F82 HydrophobicContact CD1-CG 4.44Å; L69-T86 HydrophobicContact CD1-CG2 4.4Å
70Q92.7Very high96.8Very high67 Ų6729.1 Ų29.131%0.31316%0.157SC..SBendtrans5339.5176.6-151.5175.7-3900114.1D80 D81 F82 L119Q70-D80 PolarHBondContact N-O 2.78Å; Q70-D81 HydrophobicContact CB-CB 4Å; Q70-D81 HydrophobicContact CG-CB 3.97Å; Q70-F82 HydrophobicContact CB-CD2 4.07Å; Q70-F82 HydrophobicContact CB-CE2 4.32Å; Q70-L119 HydrophobicContact CG-CD1 4.43Å
71Q91.8Very high96.8Very high31 Ų3131 Ų3115%0.14517%0.167CC..  trans-115.7153179.7-164.8-167-23.400110.7H68 L69 I78 L102H68-Q71 PolarHBondContact ND1-OE1 3.07Å; L69-Q71 PolarHBondContact O-N 2.92Å; Q71-I78 HydrophobicContact CB-CD1 3.65Å; Q71-I78 WeakPolarHBondContact O-CG1 3.49Å; Q71-I78 PolarHBondContact O-N 3.11Å; Q71-L102 VanDerWaalsContact NE2-CB 3.3Å
72T94.1Very high96.7Very high89 Ų8931 Ų3155%0.54617%0.167SC..EExtended strand (participates in β ladder)trans-100.3132.8164.8-64.10000109.5A76 S77T72-A76 WeakPolarHBondContact CA-O 3.45Å; T72-S77 PolarHBondContact OG1-OG 2.88Å
73F94.9Very high96.7Very high18 Ų1834.3 Ų34.38%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-145.3135179.5-175.2-105.9000109.8N75 A76 L102 Y163 M167 R327 F329 H346F73-N75 VanDerWaalsContact C-N 3.26Å; F73-N75 PolarHBondContact O-N 2.89Å; F73-A76 PolarHBondContact N-O 3.11Å; F73-A76 PolarHBondContact O-N 2.99Å; F73-A76 VanDerWaalsContact O-O 3.05Å; F73-L102 HydrophobicContact CD2-CD2 4.17Å; F73-L102 HydrophobicContact CE2-CD2 4.29Å; F73-Y163 AromaticContact CZ-CE1 3.8Å; F73-Y163 HydrophobicContact CZ-CE1 3.8Å; F73-Y163 AromaticContact CZ-CZ 3.87Å; F73-M167 HydrophobicContact CE2-CE 4.09Å; F73-M167 HydrophobicContact CZ-CE 4.5Å; F73-R327 VanDerWaalsContact CD1-NH1 3.29Å; F73-R327 VanDerWaalsContact CE1-NH1 3.33Å; F73-F329 HydrophobicContact CB-CZ 4.34Å; F73-H346 HydrophobicContact CE1-CB 4.2Å
74M94.2Very high96.7Very high50 Ų5035.5 Ų35.525%0.24619%0.188CC..THydrogen-bonded Turntrans47.946.8-177.3-64.5178.369.500113.1A76 T342 I344 P345 H346M74-A76 PolarHBondContact O-N 2.8Å; M74-T342 WeakPolarHBondContact CE-O 3.34Å; M74-I344 WeakPolarHBondContact CE-O 3.16Å; M74-P345 HydrophobicContact CB-CB 4.26Å; M74-H346 HydrophobicContact SD-CB 4.35Å
75N93.9Very high96.7Very high157 Ų15735.5 Ų35.584%0.8419%0.188SC*.THydrogen-bonded Turntrans62.415.5-179.3-53.8-43.2000115.6F73F73-N75 VanDerWaalsContact C-N 3.26Å; F73-N75 PolarHBondContact O-N 2.89Å
76A96.4Very high96.7Very high3 Ų335.5 Ų35.53%0.02519%0.188CC..EExtended strand (participates in β ladder)trans-123.7137.1174.400000111.1T72 F73 M74 F329 Q333 L336 P345T72-A76 WeakPolarHBondContact CA-O 3.45Å; F73-A76 PolarHBondContact N-O 3.11Å; F73-A76 PolarHBondContact O-N 2.99Å; F73-A76 VanDerWaalsContact O-O 3.05Å; M74-A76 PolarHBondContact O-N 2.8Å; A76-F329 HydrophobicContact CB-CD1 3.69Å; A76-F329 HydrophobicContact CB-CE1 3.66Å; A76-Q333 HydrophobicContact CB-CB 4.13Å; A76-Q333 HydrophobicContact CB-CG 4.32Å; A76-L336 HydrophobicContact CB-CD1 4.37Å; A76-P345 HydrophobicContact CB-CB 4.03Å; A76-P345 HydrophobicContact CB-CG 4.09Å
77S96.6Very high96.7Very high65 Ų6538 Ų3846%0.45520%0.199SC..EExtended strand (participates in β ladder)trans-85.1134172.4-56.10000110.7T72 Q333T72-S77 PolarHBondContact OG1-OG 2.88Å; S77-Q333 PolarHBondContact O-NE2 2.92Å
78I96.4Very high96.7Very high14 Ų1438 Ų387%0.07220%0.199CC..  trans-61139.9176.7-63169000109.8H68 Q71 D80 R327 P328 F329H68-I78 HydrophobicContact CB-CD1 3.48Å; H68-I78 VanDerWaalsContact CB-CD1 3.48Å; H68-I78 WeakPolarHBondContact O-CD1 3.46Å; Q71-I78 HydrophobicContact CB-CD1 3.65Å; Q71-I78 WeakPolarHBondContact O-CG1 3.49Å; Q71-I78 PolarHBondContact O-N 3.11Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-R327 HydrophobicContact CD1-CG 3.58Å; I78-R327 HydrophobicContact CG1-CG 3.76Å; I78-P328 HydrophobicContact CG2-CG 3.95Å; I78-F329 HydrophobicContact CG1-CE1 3.99Å; I78-F329 HydrophobicContact CG1-CZ 4.02Å
79Q97.1Very high96.7Very high89 Ų8937.9 Ų37.942%0.41620%0.198SC..SBendtrans-70.6-28.6-176.8-68.6-65.8-61.400113.2P328 Q333Q79-P328 HydrophobicContact CB-CB 4.3Å; Q79-P328 HydrophobicContact CB-CG 4.2Å; Q79-P328 PolarHBondContact N-O 2.91Å; Q79-Q333 VanDerWaalsContact NE2-CD 3.34Å
80D98.3Very high96.8Very high5 Ų537.4 Ų37.43%0.02720%0.196CC..  trans-98.1134.8177-83-30.3000113L69 Q70 I78 S84 H326 P328 G421L69-D80 HydrophobicContact CD2-CB 4.06Å; Q70-D80 PolarHBondContact N-O 2.78Å; I78-D80 VanDerWaalsContact C-N 3.33Å; D80-S84 VanDerWaalsContact CA-OG 3.26Å; D80-S84 WeakPolarHBondContact CA-OG 3.38Å; D80-S84 WeakPolarHBondContact CB-OG 3.45Å; D80-S84 VanDerWaalsContact CG-OG 3.31Å; D80-S84 VanDerWaalsContact OD1-CB 3.24Å; D80-S84 WeakPolarHBondContact OD1-CB 3.36Å; D80-S84 PolarHBondContact OD1-OG 2.93Å; D80-H326 IonicContact OD2-CE1 3.19Å; D80-H326 PolarHBondContact OD2-CE1 2.86Å; D80-H326 IonicContact OD2-NE2 3Å; D80-H326 PolarHBondContact OD2-NE2 2.85Å; D80-P328 HydrophobicContact CB-CG 3.98Å; D80-G421 WeakPolarHBondContact OD1-CA 3.4Å; D80-G421 PolarHBondContact OD1-N 2.84Å; D80-G421 VanDerWaalsContact OD1-N 3.11Å; D80-G421 WeakPolarHBondContact OD2-CA 3.42Å; D80-G421 PolarHBondContact OD2-N 2.9Å
81D98.3Very high97.1Very high42 Ų4235.8 Ų35.823%0.22519%0.188CC..  trans-98.9-175.9169.878.34.2000111.2Q70 Y83 S84 G85 K123Q70-D81 HydrophobicContact CB-CB 4Å; Q70-D81 HydrophobicContact CG-CB 3.97Å; D81-Y83 PolarHBondContact O-N 2.81Å; D81-Y83 WeakPolarHBondContact OD1-CA 3.47Å; D81-Y83 WeakPolarHBondContact OD1-CB 3.38Å; D81-Y83 PolarHBondContact OD1-N 2.8Å; D81-S84 PolarHBondContact N-OG 3.35Å; D81-S84 PolarHBondContact OD1-N 2.88Å; D81-S84 PolarHBondContact OD1-OG 3.49Å; D81-G85 PolarHBondContact O-N 2.87Å; D81-K123 IonicContact OD2-NZ 2.9Å; D81-K123 PolarHBondContact OD2-NZ 2.9Å
82F98.6Very high97.4Very high1 Ų134.5 Ų34.50%0.00418%0.183CC..Hα-helixtrans-63.3-25.9179.4-81.3-80.6000113.6L69 Q70 T86 A99 L119 A120 K123L69-F82 HydrophobicContact CB-CD1 4.17Å; L69-F82 HydrophobicContact CB-CD2 4.26Å; L69-F82 HydrophobicContact CB-CE1 4.16Å; L69-F82 HydrophobicContact CB-CE2 4.25Å; L69-F82 HydrophobicContact CB-CG 4.22Å; L69-F82 HydrophobicContact CB-CZ 4.19Å; L69-F82 HydrophobicContact CD1-CD1 3.86Å; L69-F82 HydrophobicContact CD1-CE1 4.17Å; L69-F82 HydrophobicContact CD1-CG 4.44Å; Q70-F82 HydrophobicContact CB-CD2 4.07Å; Q70-F82 HydrophobicContact CB-CE2 4.32Å; F82-T86 WeakPolarHBondContact O-CB 3.32Å; F82-T86 WeakPolarHBondContact O-CG2 3.49Å; F82-T86 PolarHBondContact O-N 3.14Å; F82-T86 PolarHBondContact O-OG1 2.93Å; F82-A99 HydrophobicContact CE1-CB 3.85Å; F82-A99 HydrophobicContact CZ-CB 3.98Å; F82-L119 HydrophobicContact CD2-CB 4.28Å; F82-L119 HydrophobicContact CE2-CB 4.45Å; F82-A120 HydrophobicContact CD1-CB 3.51Å; F82-A120 HydrophobicContact CD2-CB 3.89Å; F82-A120 HydrophobicContact CE1-CB 3.49Å; F82-A120 VanDerWaalsContact CE1-CB 3.49Å; F82-A120 HydrophobicContact CE2-CB 3.86Å; F82-A120 HydrophobicContact CG-CB 3.72Å; F82-A120 HydrophobicContact CZ-CB 3.67Å; F82-K123 HydrophobicContact CB-CB 3.81Å
83Y98.7Very high97.6Very high71 Ų7130.2 Ų30.228%0.27816%0.157SC..Hα-helixtrans-78-57176.1172.6-101.3000110.4D81 G85 T86 K87 C125 F452 E456D81-Y83 PolarHBondContact O-N 2.81Å; D81-Y83 WeakPolarHBondContact OD1-CA 3.47Å; D81-Y83 WeakPolarHBondContact OD1-CB 3.38Å; D81-Y83 PolarHBondContact OD1-N 2.8Å; Y83-G85 PolarHBondContact O-N 3.45Å; Y83-T86 PolarHBondContact O-N 2.82Å; Y83-T86 PolarHBondContact O-OG1 3.35Å; Y83-K87 HydrophobicContact CE1-CD 4.33Å; Y83-K87 VanDerWaalsContact O-CB 3.22Å; Y83-K87 WeakPolarHBondContact O-CB 3.26Å; Y83-K87 PolarHBondContact O-N 3.36Å; Y83-C125 WeakPolarHBondContact CD2-SG 3.17Å; Y83-C125 VanDerWaalsContact CE2-SG 3.52Å; Y83-F452 HydrophobicContact CE2-CE1 4.28Å; Y83-E456 HydrophobicContact CD2-CB 3.68Å; Y83-E456 HydrophobicContact CE2-CB 4.11Å
84S98.5Very high97.8Very high25 Ų2529.4 Ų29.418%0.17515%0.153CC..Hα-helixtrans-65.5-40.6-175.5650000112.2D80 D81 K87 A88D80-S84 VanDerWaalsContact CA-OG 3.26Å; D80-S84 WeakPolarHBondContact CA-OG 3.38Å; D80-S84 WeakPolarHBondContact CB-OG 3.45Å; D80-S84 VanDerWaalsContact CG-OG 3.31Å; D80-S84 VanDerWaalsContact OD1-CB 3.24Å; D80-S84 WeakPolarHBondContact OD1-CB 3.36Å; D80-S84 PolarHBondContact OD1-OG 2.93Å; D81-S84 PolarHBondContact N-OG 3.35Å; D81-S84 PolarHBondContact OD1-N 2.88Å; D81-S84 PolarHBondContact OD1-OG 3.49Å; S84-K87 WeakPolarHBondContact O-CB 3.23Å; S84-K87 PolarHBondContact O-N 3.41Å; S84-A88 WeakPolarHBondContact O-CB 3.36Å; S84-A88 PolarHBondContact O-N 3.2Å
85G98.6Very high98Very high1 Ų127.1 Ų27.11%0.0114%0.142CC..Hα-helixtrans-65.9-42.8177.800000113.4D81 Y83 A88 A89D81-G85 PolarHBondContact O-N 2.87Å; Y83-G85 PolarHBondContact O-N 3.45Å; G85-A88 PolarHBondContact O-N 2.93Å; G85-A89 PolarHBondContact O-N 3Å
86T98.8Very high98.3Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans-75.7-29.6177.460.20000112.8L69 F82 Y83 A88 A89 L90 V97 A124 C125L69-T86 HydrophobicContact CD1-CG2 4.4Å; F82-T86 WeakPolarHBondContact O-CB 3.32Å; F82-T86 WeakPolarHBondContact O-CG2 3.49Å; F82-T86 PolarHBondContact O-N 3.14Å; F82-T86 PolarHBondContact O-OG1 2.93Å; Y83-T86 PolarHBondContact O-N 2.82Å; Y83-T86 PolarHBondContact O-OG1 3.35Å; T86-A88 VanDerWaalsContact C-N 3.34Å; T86-A89 WeakPolarHBondContact O-CB 3.37Å; T86-A89 PolarHBondContact O-N 3.18Å; T86-L90 WeakPolarHBondContact O-CG 3.32Å; T86-L90 PolarHBondContact O-N 2.84Å; T86-V97 HydrophobicContact CG2-CG2 3.85Å; T86-A124 HydrophobicContact CG2-CB 4.25Å; T86-C125 WeakPolarHBondContact OG1-CB 3.36Å; T86-C125 PolarHBondContact OG1-N 2.83Å
87K98.8Very high98.4Very high58 Ų5819.5 Ų19.525%0.25210%0.101SC..Hα-helixtrans-58.7-48.1166.5169.8178178.8-173.70110.7Y83 S84 L90 M91 F452Y83-K87 HydrophobicContact CE1-CD 4.33Å; Y83-K87 VanDerWaalsContact O-CB 3.22Å; Y83-K87 WeakPolarHBondContact O-CB 3.26Å; Y83-K87 PolarHBondContact O-N 3.36Å; S84-K87 WeakPolarHBondContact O-CB 3.23Å; S84-K87 PolarHBondContact O-N 3.41Å; K87-L90 PolarHBondContact O-N 3.27Å; K87-M91 WeakPolarHBondContact O-CB 3.48Å; K87-M91 VanDerWaalsContact O-CG 3.26Å; K87-M91 WeakPolarHBondContact O-CG 3.42Å; K87-M91 PolarHBondContact O-N 3.35Å; K87-F452 HydrophobicContact CB-CD2 4.49Å; K87-F452 HydrophobicContact CB-CE1 4.16Å; K87-F452 HydrophobicContact CB-CE2 3.91Å; K87-F452 HydrophobicContact CB-CZ 3.69Å; K87-F452 HydrophobicContact CD-CD1 3.81Å; K87-F452 HydrophobicContact CD-CE1 3.84Å; K87-F452 HydrophobicContact CD-CG 4.16Å; K87-F452 HydrophobicContact CD-CZ 4.22Å; K87-F452 HydrophobicContact CG-CD1 3.92Å; K87-F452 HydrophobicContact CG-CD2 3.8Å; K87-F452 HydrophobicContact CG-CE1 3.83Å; K87-F452 HydrophobicContact CG-CE2 3.72Å; K87-F452 HydrophobicContact CG-CG 3.87Å; K87-F452 HydrophobicContact CG-CZ 3.7Å
88A98.7Very high98.5Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-62.2-41.6177.500000112.5S84 G85 T86 M91 G92 V351 Q352 V419 Q420S84-A88 WeakPolarHBondContact O-CB 3.36Å; S84-A88 PolarHBondContact O-N 3.2Å; G85-A88 PolarHBondContact O-N 2.93Å; T86-A88 VanDerWaalsContact C-N 3.34Å; A88-M91 PolarHBondContact O-N 3.01Å; A88-G92 PolarHBondContact O-N 2.73Å; A88-V351 HydrophobicContact CB-CG1 3.71Å; A88-Q352 HydrophobicContact CB-CB 4.24Å; A88-Q352 WeakPolarHBondContact O-CA 3.42Å; A88-V419 HydrophobicContact CB-CG2 3.95Å; A88-Q420 HydrophobicContact CB-CB 3.72Å
89A98.9Very high98.6Very high0 Ų015.8 Ų15.80%08%0.077CC..Hα-helixtrans-55.7-51.9172.800000111.8G85 T86 M91 G92 G93 T94 V97 V351G85-A89 PolarHBondContact O-N 3Å; T86-A89 WeakPolarHBondContact O-CB 3.37Å; T86-A89 PolarHBondContact O-N 3.18Å; A89-M91 PolarHBondContact O-N 3.31Å; A89-G92 CarbonylContact O-C 3.37Å; A89-G92 WeakPolarHBondContact O-CA 3.45Å; A89-G92 PolarHBondContact O-N 2.89Å; A89-G93 PolarHBondContact O-N 2.94Å; A89-G93 VanDerWaalsContact O-N 3.16Å; A89-T94 CarbonylContact C-O 3.5Å; A89-T94 HydrophobicContact CB-CG2 3.98Å; A89-T94 WeakPolarHBondContact O-CA 3.35Å; A89-T94 WeakPolarHBondContact O-CB 3.4Å; A89-T94 PolarHBondContact O-N 3.01Å; A89-T94 VanDerWaalsContact O-O 3.14Å; A89-V97 HydrophobicContact CB-CG1 3.88Å; A89-V351 HydrophobicContact CB-CG2 3.64Å
90L98.9Very high98.6Very high0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-62.2-41.8-178.7-73.7171.4000112.5T86 K87 G92 G93 T94 T95 C125 C126 T439 V446 F452T86-L90 WeakPolarHBondContact O-CG 3.32Å; T86-L90 PolarHBondContact O-N 2.84Å; K87-L90 PolarHBondContact O-N 3.27Å; L90-G92 PolarHBondContact O-N 3.44Å; L90-G93 PolarHBondContact O-N 3.04Å; L90-G93 VanDerWaalsContact O-N 3.07Å; L90-T94 VanDerWaalsContact CA-O 3.3Å; L90-T94 WeakPolarHBondContact CA-O 3.09Å; L90-T94 PolarHBondContact N-O 2.7Å; L90-T95 HydrophobicContact CD2-CG2 4.16Å; L90-C125 HydrophobicContact CD1-CB 3.77Å; L90-C126 HydrophobicContact CD1-CB 3.98Å; L90-C126 HydrophobicContact CD2-CB 3.73Å; L90-C126 HydrophobicContact CG-CB 3.84Å; L90-T439 HydrophobicContact CB-CG2 4.47Å; L90-T439 HydrophobicContact CD2-CG2 3.81Å; L90-T439 WeakPolarHBondContact O-CB 3.49Å; L90-T439 WeakPolarHBondContact O-CG2 3.2Å; L90-T439 PolarHBondContact O-OG1 3.1Å; L90-V446 HydrophobicContact CB-CG2 4.48Å; L90-V446 HydrophobicContact CD1-CB 4.37Å; L90-V446 HydrophobicContact CD1-CG2 4.03Å; L90-V446 HydrophobicContact CD2-CG2 3.85Å; L90-V446 HydrophobicContact CG-CG2 4.35Å; L90-F452 HydrophobicContact CB-CE2 4.37Å; L90-F452 HydrophobicContact CD1-CE2 3.94Å
91M98.4Very high98.6Very high33 Ų3312.1 Ų12.116%0.1636%0.06CC..Hα-helixtrans-64.2-25.7175.2-71.3-71.2-67.100112.4K87 A88 A89 V419 P436 C447 G450 F452K87-M91 WeakPolarHBondContact O-CB 3.48Å; K87-M91 VanDerWaalsContact O-CG 3.26Å; K87-M91 WeakPolarHBondContact O-CG 3.42Å; K87-M91 PolarHBondContact O-N 3.35Å; A88-M91 PolarHBondContact O-N 3.01Å; A89-M91 PolarHBondContact O-N 3.31Å; M91-V419 HydrophobicContact CB-CG2 3.93Å; M91-V419 HydrophobicContact CE-CG1 4.47Å; M91-V419 HydrophobicContact CG-CG2 3.98Å; M91-P436 WeakPolarHBondContact O-CG 3.33Å; M91-C447 HydrophobicContact SD-CB 4.11Å; M91-G450 WeakPolarHBondContact CE-O 3.35Å; M91-F452 HydrophobicContact CG-CB 4.49Å; M91-F452 HydrophobicContact CG-CD2 4.24Å; M91-F452 HydrophobicContact SD-CB 3.85Å; M91-F452 HydrophobicContact SD-CD2 4.34Å
92G98.3Very high98.6Very high3 Ų311.9 Ų11.93%0.0316%0.059CC..THydrogen-bonded Turntrans-88.80.9173.300000115.3A88 A89 L90 Q352 M355A88-G92 PolarHBondContact O-N 2.73Å; A89-G92 CarbonylContact O-C 3.37Å; A89-G92 WeakPolarHBondContact O-CA 3.45Å; A89-G92 PolarHBondContact O-N 2.89Å; L90-G92 PolarHBondContact O-N 3.44Å; G92-Q352 WeakPolarHBondContact CA-O 3.36Å; G92-M355 WeakPolarHBondContact O-CB 3.09Å
93G98.6Very high98.4Very high0 Ų012.1 Ų12.10%06%0.06CC..THydrogen-bonded Turntrans85.65.3-176.300000115.2G62 A89 L90 V403G62-G93 PolarHBondContact N-O 3.33Å; A89-G93 PolarHBondContact O-N 2.94Å; A89-G93 VanDerWaalsContact O-N 3.16Å; L90-G93 PolarHBondContact O-N 3.04Å; L90-G93 VanDerWaalsContact O-N 3.07Å; G93-V403 WeakPolarHBondContact O-CG2 3.28Å
94T98.9Very high98Very high0 Ų016 Ų160%08%0.081CC..EExtended strand (participates in β ladder)trans-90.6124.4174.5-66.90000110.1G62 D64 A89 L90 M96 V97 R354G62-T94 CarbonylContact O-C 3.54Å; G62-T94 WeakPolarHBondContact O-CA 3.36Å; G62-T94 VanDerWaalsContact O-CG2 3.29Å; G62-T94 WeakPolarHBondContact O-CG2 3.23Å; D64-T94 HydrophobicContact CB-CG2 3.81Å; A89-T94 CarbonylContact C-O 3.5Å; A89-T94 HydrophobicContact CB-CG2 3.98Å; A89-T94 WeakPolarHBondContact O-CA 3.35Å; A89-T94 WeakPolarHBondContact O-CB 3.4Å; A89-T94 PolarHBondContact O-N 3.01Å; A89-T94 VanDerWaalsContact O-O 3.14Å; L90-T94 VanDerWaalsContact CA-O 3.3Å; L90-T94 WeakPolarHBondContact CA-O 3.09Å; L90-T94 PolarHBondContact N-O 2.7Å; T94-M96 VanDerWaalsContact CG2-O 3.29Å; T94-M96 WeakPolarHBondContact CG2-O 3.12Å; T94-V97 HydrophobicContact CG2-CG1 4.25Å; T94-R354 PolarHBondContact OG1-NH2 3.34Å
95T98.9Very high97.7Very high2 Ų218.8 Ų18.81%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-110.6-3.7-174.756.50000113.8G61 G62 L90 C126 D401 T439G61-T95 VanDerWaalsContact CA-OG1 3.28Å; G61-T95 WeakPolarHBondContact CA-OG1 3.18Å; G62-T95 PolarHBondContact O-N 3.05Å; L90-T95 HydrophobicContact CD2-CG2 4.16Å; T95-C126 WeakPolarHBondContact O-CB 3.4Å; T95-D401 HydrophobicContact CG2-CB 4.31Å; T95-T439 HydrophobicContact CG2-CG2 3.65Å
96M98.9Very high97.4Very high0 Ų024.8 Ų24.80%012%0.118CC..EExtended strand (participates in β ladder)trans-142.9140.3170.1-179.4176.2179.200111.2G62 I63 D64 T94 M98 D127 A129 L387 K391G62-M96 PolarHBondContact O-N 3.08Å; I63-M96 WeakPolarHBondContact CA-O 3.24Å; I63-M96 HydrophobicContact CG1-CB 4.29Å; I63-M96 HydrophobicContact CG2-CB 4.31Å; I63-M96 HydrophobicContact CG2-CG 4.31Å; I63-M96 HydrophobicContact CG2-SD 4.36Å; D64-M96 PolarHBondContact N-O 2.82Å; T94-M96 VanDerWaalsContact CG2-O 3.29Å; T94-M96 WeakPolarHBondContact CG2-O 3.12Å; M96-M98 HydrophobicContact CE-CG 4.47Å; M96-D127 VanDerWaalsContact CA-O 3.25Å; M96-D127 WeakPolarHBondContact CA-O 3.43Å; M96-D127 WeakPolarHBondContact CG-O 3.31Å; M96-A129 HydrophobicContact CE-CB 3.45Å; M96-A129 VanDerWaalsContact CE-CB 3.45Å; M96-L387 HydrophobicContact CE-CD1 3.55Å; M96-L387 HydrophobicContact SD-CD1 3.62Å; M96-K391 HydrophobicContact CB-CD 4.42Å; M96-K391 HydrophobicContact CG-CD 4.49Å; M96-K391 HydrophobicContact SD-CD 3.35Å; M96-K391 WeakPolarHBondContact SD-CD 3.45Å; M96-K391 VanDerWaalsContact SD-CE 3.56Å
97V98.9Very high97.2Very high0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-122.6147.2173.1-57.90000111.5D64 V67 T86 A89 T94 D127 Y128 A129 V351D64-V97 HydrophobicContact CB-CG1 4.34Å; D64-V97 CarbonylContact O-C 3.43Å; D64-V97 WeakPolarHBondContact O-CA 3.19Å; V67-V97 HydrophobicContact CG1-CB 4.26Å; V67-V97 HydrophobicContact CG1-CG1 4.32Å; V67-V97 HydrophobicContact CG2-CB 3.84Å; V67-V97 HydrophobicContact CG2-CG2 4.12Å; T86-V97 HydrophobicContact CG2-CG2 3.85Å; A89-V97 HydrophobicContact CB-CG1 3.88Å; T94-V97 HydrophobicContact CG2-CG1 4.25Å; V97-D127 PolarHBondContact N-O 2.67Å; V97-Y128 CarbonylContact O-C 3.47Å; V97-Y128 WeakPolarHBondContact O-CA 3.21Å; V97-Y128 WeakPolarHBondContact O-CB 3.34Å; V97-A129 PolarHBondContact O-N 3.34Å; V97-V351 HydrophobicContact CG1-CG2 4.49Å
98M98.8Very high97.2Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-113.7109.2171.6-50.5-167.47300108.9D64 T65 C66 V67 M96 A129 H131 Y385D64-M98 PolarHBondContact O-N 3.18Å; T65-M98 HydrophobicContact CG2-SD 4.13Å; C66-M98 WeakPolarHBondContact CA-O 3.34Å; V67-M98 PolarHBondContact N-O 3.44Å; M96-M98 HydrophobicContact CE-CG 4.47Å; M98-A129 CarbonylContact C-O 3.6Å; M98-A129 WeakPolarHBondContact CA-O 3.43Å; M98-A129 HydrophobicContact CB-CB 4.46Å; M98-A129 HydrophobicContact CE-CB 3.54Å; M98-A129 HydrophobicContact CG-CB 4.04Å; M98-H131 WeakPolarHBondContact CB-NE2 3.45Å; M98-H131 WeakPolarHBondContact CE-CE1 3.37Å; M98-Y385 HydrophobicContact CE-CD1 3.68Å; M98-Y385 HydrophobicContact CE-CD2 4.15Å; M98-Y385 HydrophobicContact CE-CE1 4.25Å; M98-Y385 HydrophobicContact CE-CG 3.66Å; M98-Y385 HydrophobicContact SD-CD1 4.13Å; M98-Y385 HydrophobicContact SD-CD2 3.5Å; M98-Y385 WeakPolarHBondContact SD-CD2 3.31Å; M98-Y385 HydrophobicContact SD-CE1 4.49Å; M98-Y385 HydrophobicContact SD-CE2 3.9Å; M98-Y385 HydrophobicContact SD-CG 3.65Å
99A98.4Very high97.2Very high2 Ų225.1 Ų25.12%0.01713%0.128CC..EExtended strand (participates in β ladder)trans-91.5144.2-177.400000111.5V67 F82 A129 L130 H131V67-A99 HydrophobicContact CG2-CB 3.92Å; V67-A99 VanDerWaalsContact O-CA 3.28Å; V67-A99 WeakPolarHBondContact O-CA 3.49Å; F82-A99 HydrophobicContact CE1-CB 3.85Å; F82-A99 HydrophobicContact CZ-CB 3.98Å; A99-A129 PolarHBondContact N-O 3.25Å; A99-L130 HydrophobicContact CB-CD2 3.78Å; A99-L130 WeakPolarHBondContact O-CA 3.32Å; A99-H131 PolarHBondContact O-N 3.08Å
100L98.4Very high97.1Very high11 Ų1126.8 Ų26.86%0.05814%0.136CC..EExtended strand (participates in β ladder)trans-86.2121.4173.5-17863.9000111.1V67 L102 H131 Q158 F160V67-L100 PolarHBondContact O-N 2.96Å; V67-L100 VanDerWaalsContact O-N 3.13Å; L100-L102 HydrophobicContact CD2-CD1 4.07Å; L100-H131 HydrophobicContact CD1-CB 3.78Å; L100-Q158 HydrophobicContact CD1-CB 3.54Å; L100-Q158 HydrophobicContact CD1-CG 4.03Å; L100-Q158 HydrophobicContact CD2-CB 4.47Å; L100-Q158 HydrophobicContact CD2-CG 4.05Å; L100-F160 HydrophobicContact CD2-CZ 4.06Å
101V98.4Very high97.1Very high5 Ų531.8 Ų31.83%0.0316%0.163CC..EExtended strand (participates in β ladder)trans-80.5125.3161.9-1790000108A112 Y113 C116 L130 H131 V132 G133V101-A112 VanDerWaalsContact CG1-C 3.46Å; V101-A112 HydrophobicContact CG1-CB 3.7Å; V101-A112 WeakPolarHBondContact CG1-O 3.48Å; V101-Y113 HydrophobicContact CG2-CD2 4.47Å; V101-C116 HydrophobicContact CG1-CB 4.49Å; V101-C116 HydrophobicContact CG2-CB 3.74Å; V101-L130 HydrophobicContact CG2-CB 4.09Å; V101-L130 HydrophobicContact CG2-CD1 3.75Å; V101-L130 HydrophobicContact CG2-CD2 4.22Å; V101-L130 HydrophobicContact CG2-CG 4.26Å; V101-H131 WeakPolarHBondContact CB-O 3.45Å; V101-H131 PolarHBondContact N-O 3.49Å; V101-V132 HydrophobicContact CB-CG2 4.28Å; V101-V132 HydrophobicContact CG2-CG2 4.43Å; V101-G133 PolarHBondContact O-N 2.81Å
102L96.4Very high97.1Very high38 Ų3831.4 Ų31.420%0.19917%0.165CC..  trans-121.696.4-179-163.766.8000110.7Q71 F73 L100 T135 F160 M167Q71-L102 VanDerWaalsContact NE2-CB 3.3Å; F73-L102 HydrophobicContact CD2-CD2 4.17Å; F73-L102 HydrophobicContact CE2-CD2 4.29Å; L100-L102 HydrophobicContact CD2-CD1 4.07Å; L102-T135 HydrophobicContact CD1-CG2 3.9Å; L102-F160 HydrophobicContact CD1-CE2 3.7Å; L102-F160 HydrophobicContact CD1-CZ 3.86Å; L102-M167 HydrophobicContact CD1-SD 3.74Å; L102-M167 HydrophobicContact CD2-SD 3.69Å; L102-M167 HydrophobicContact CG-SD 4.05Å
103P95Very high97.1Very high6 Ų631.5 Ų31.54%0.03917%0.165CC..PPolyproline II helixtrans-72143.8174.629.4-32.4000110.8L109 A112 G133 T135P103-L109 HydrophobicContact CG-CD1 4.12Å; P103-L109 HydrophobicContact CG-CG 4.17Å; P103-A112 HydrophobicContact CB-CB 3.86Å; P103-G133 VanDerWaalsContact CD-O 3.31Å; P103-G133 WeakPolarHBondContact CD-O 3.37Å; P103-G133 WeakPolarHBondContact CG-O 3.3Å; P103-T135 WeakPolarHBondContact O-CG2 3.33Å; P103-T135 PolarHBondContact O-OG1 2.97Å
104E91.5Very high97.1Very high153 Ų15336.7 Ų36.772%0.71519%0.189SC*.PPolyproline II helixtrans-62155.8166.1-67.8-179.3-169.800110.8H106 C107E104-H106 PolarHBondContact O-N 2.62Å; E104-C107 HydrophobicContact CB-CB 4.36Å; E104-C107 WeakPolarHBondContact O-CB 3.33Å; E104-C107 PolarHBondContact O-N 2.93Å; E104-C107 VanDerWaalsContact O-N 3.11Å
105Q90.3Very high97Very high83 Ų8340 Ų4039%0.38821%0.212SC..THydrogen-bonded Turntrans-58.2135.1178.1-154-177.69.100110C107 W136Q105-C107 PolarHBondContact O-N 3.2Å; Q105-W136 HydrophobicContact CG-CB 3.82Å; Q105-W136 HydrophobicContact CG-CG 4.42Å
106H92.2Very high97Very high126 Ų12640.7 Ų40.758%0.58322%0.217SC*.THydrogen-bonded Turntrans70-0-177.3-47.4-62.7000116.4E104 W136E104-H106 PolarHBondContact O-N 2.62Å; H106-W136 VanDerWaalsContact CA-CE2 3.48Å; H106-W136 AromaticContact ND1-CE3 3.99Å
107C95.7Very high96.9Very high56 Ų5643 Ų4338%0.37823%0.225SC..SBendtrans-83.1159.5171.8-68.30000112.6E104 Q105 W136E104-C107 HydrophobicContact CB-CB 4.36Å; E104-C107 WeakPolarHBondContact O-CB 3.33Å; E104-C107 PolarHBondContact O-N 2.93Å; E104-C107 VanDerWaalsContact O-N 3.11Å; Q105-C107 PolarHBondContact O-N 3.2Å; C107-W136 WeakPolarHBondContact O-CZ2 3.1Å; C107-W136 PolarHBondContact O-NE1 2.97Å
108S97.9Very high96.9Very high10 Ų1046.4 Ų46.47%0.0725%0.25CC..  trans-64.6129.6175.1172.10000110.8L110 D111 A112 E144S108-L110 VanDerWaalsContact C-N 3.3Å; S108-L110 PolarHBondContact OG-N 3.18Å; S108-D111 WeakPolarHBondContact CB-OD1 3.49Å; S108-D111 WeakPolarHBondContact CB-OD2 3.39Å; S108-D111 PolarHBondContact OG-N 2.5Å; S108-D111 VanDerWaalsContact OG-N 3.13Å; S108-D111 PolarHBondContact OG-OD1 2.9Å; S108-A112 PolarHBondContact O-N 3.25Å; S108-E144 PolarHBondContact OG-OE1 2.77Å
109L98.6Very high96.8Very high0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-67.9-34.8172.4-8560.6000110.9P103 Y113 V132 V134 V141 E144 M145 L148P103-L109 HydrophobicContact CG-CD1 4.12Å; P103-L109 HydrophobicContact CG-CG 4.17Å; L109-Y113 VanDerWaalsContact O-CB 3.3Å; L109-Y113 WeakPolarHBondContact O-CB 3.22Å; L109-Y113 PolarHBondContact O-N 2.98Å; L109-V132 HydrophobicContact CB-CG1 4.09Å; L109-V132 HydrophobicContact CD2-CG1 4.09Å; L109-V132 HydrophobicContact CG-CG1 3.95Å; L109-V134 HydrophobicContact CD2-CG2 4.29Å; L109-V141 HydrophobicContact CD1-CG1 4.29Å; L109-V141 HydrophobicContact CD1-CG2 4.26Å; L109-V141 HydrophobicContact CD2-CG1 3.93Å; L109-E144 HydrophobicContact CB-CB 4.18Å; L109-E144 WeakPolarHBondContact CB-OE2 3.35Å; L109-E144 PolarHBondContact N-OE2 3.32Å; L109-M145 HydrophobicContact CD2-CG 4.06Å; L109-L148 HydrophobicContact CB-CD1 3.99Å; L109-L148 HydrophobicContact CD2-CD1 4.45Å
110L98.3Very high96.8Very high34 Ų3449 Ų4918%0.17826%0.263CS..Hα-helixtrans-67.1-45.4179.8-75.1169.1000111.4S108 A112 Y113 E114 E144 L148S108-L110 VanDerWaalsContact C-N 3.3Å; S108-L110 PolarHBondContact OG-N 3.18Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 2.8Å; L110-Y113 WeakPolarHBondContact O-CB 3.5Å; L110-Y113 PolarHBondContact O-N 3.47Å; L110-Y113 VanDerWaalsContact O-N 3.13Å; L110-E114 WeakPolarHBondContact O-CG 3.37Å; L110-E114 PolarHBondContact O-N 3.4Å; L110-E144 HydrophobicContact CD1-CB 4.44Å; L110-E144 HydrophobicContact CD1-CG 3.97Å; L110-E144 HydrophobicContact CG-CB 4.28Å; L110-E144 HydrophobicContact CG-CG 4.18Å; L110-L148 HydrophobicContact CD2-CD2 3.71Å; L110-L148 HydrophobicContact CD2-CG 3.73Å; L110-L148 HydrophobicContact CG-CG 4.49Å
111D98.2Very high96.8Very high106 Ų10651.4 Ų51.457%0.56728%0.276SS*.Hα-helixtrans-65.1-42.2-177.7-56.27.6000110.4S108 Y113 E114 S115S108-D111 WeakPolarHBondContact CB-OD1 3.49Å; S108-D111 WeakPolarHBondContact CB-OD2 3.39Å; S108-D111 PolarHBondContact OG-N 2.5Å; S108-D111 VanDerWaalsContact OG-N 3.13Å; S108-D111 PolarHBondContact OG-OD1 2.9Å; D111-Y113 VanDerWaalsContact C-N 3.3Å; D111-Y113 PolarHBondContact O-N 3.48Å; D111-E114 PolarHBondContact O-N 2.89Å; D111-S115 WeakPolarHBondContact O-CB 3.43Å; D111-S115 PolarHBondContact O-N 2.88Å
112A98.2Very high96.8Very high25 Ų2554 Ų5421%0.20730%0.298CS..Hα-helixtrans-62.5-40.3175.200000111.4V101 P103 S108 L110 C116V101-A112 VanDerWaalsContact CG1-C 3.46Å; V101-A112 HydrophobicContact CG1-CB 3.7Å; V101-A112 WeakPolarHBondContact CG1-O 3.48Å; P103-A112 HydrophobicContact CB-CB 3.86Å; S108-A112 PolarHBondContact O-N 3.25Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 2.8Å; A112-C116 WeakPolarHBondContact O-CB 3.35Å; A112-C116 PolarHBondContact O-N 2.81Å
113Y98.6Very high96.9Very high4 Ų454.8 Ų54.82%0.01630%0.3CS..Hα-helixtrans-64-49.7175.8169.6-94.2000112V101 L109 L110 D111 S115 C116 R117 L130 V132 L148 H152 V154 F461V101-Y113 HydrophobicContact CG2-CD2 4.47Å; L109-Y113 VanDerWaalsContact O-CB 3.3Å; L109-Y113 WeakPolarHBondContact O-CB 3.22Å; L109-Y113 PolarHBondContact O-N 2.98Å; L110-Y113 WeakPolarHBondContact O-CB 3.5Å; L110-Y113 PolarHBondContact O-N 3.47Å; L110-Y113 VanDerWaalsContact O-N 3.13Å; D111-Y113 VanDerWaalsContact C-N 3.3Å; D111-Y113 PolarHBondContact O-N 3.48Å; Y113-S115 VanDerWaalsContact C-N 3.34Å; Y113-S115 PolarHBondContact O-N 2.83Å; Y113-C116 PolarHBondContact O-N 3Å; Y113-R117 HydrophobicContact CD1-CG 4.07Å; Y113-R117 HydrophobicContact CD2-CG 4.14Å; Y113-R117 HydrophobicContact CE1-CG 3.6Å; Y113-R117 HydrophobicContact CE2-CG 3.69Å; Y113-R117 HydrophobicContact CG-CG 4.32Å; Y113-R117 VanDerWaalsContact CZ-CG 3.41Å; Y113-R117 WeakPolarHBondContact O-CB 3.44Å; Y113-R117 VanDerWaalsContact O-CG 3.31Å; Y113-R117 WeakPolarHBondContact O-CG 3.5Å; Y113-R117 PolarHBondContact O-N 3.37Å; Y113-R117 PolarHBondContact OH-NH1 2.82Å; Y113-L130 HydrophobicContact CD2-CB 4.41Å; Y113-L130 HydrophobicContact CD2-CD1 3.78Å; Y113-L130 HydrophobicContact CE2-CB 4.15Å; Y113-L130 HydrophobicContact CE2-CD1 3.66Å; Y113-L130 HydrophobicContact CE2-CG 4.44Å; Y113-V132 HydrophobicContact CD2-CG2 4.06Å; Y113-L148 HydrophobicContact CD1-CD2 3.82Å; Y113-L148 HydrophobicContact CD2-CD2 3.93Å; Y113-L148 HydrophobicContact CE1-CD2 4.36Å; Y113-L148 HydrophobicContact CE2-CD2 4.45Å; Y113-L148 HydrophobicContact CG-CD2 3.56Å; Y113-H152 HydrophobicContact CD1-CB 4.4Å; Y113-H152 HydrophobicContact CE1-CB 3.57Å; Y113-H152 AromaticContact CE1-CG 3.73Å; Y113-H152 AromaticContact CE1-ND1 3.51Å; Y113-H152 PolarHBondContact OH-O 2.92Å; Y113-V154 HydrophobicContact CD2-CG2 3.93Å; Y113-V154 HydrophobicContact CE2-CG2 3.43Å; Y113-V154 VanDerWaalsContact CE2-CG2 3.43Å; Y113-F461 WeakPolarHBondContact OH-CZ 3.35Å
114E98.3Very high97Very high109 Ų10954.5 Ų54.551%0.50930%0.298SS..Hα-helixtrans-61.9-42.1179.7-72.8-174.9169.400111.8L110 D111 R117 S118L110-E114 WeakPolarHBondContact O-CG 3.37Å; L110-E114 PolarHBondContact O-N 3.4Å; D111-E114 PolarHBondContact O-N 2.89Å; E114-R117 PolarHBondContact O-N 2.81Å; E114-S118 WeakPolarHBondContact O-CB 3.22Å; E114-S118 PolarHBondContact O-N 3.41Å
115S97.4Very high97.4Very high69 Ų6947.2 Ų47.248%0.48326%0.264SS..Hα-helixtrans-57.4-53.2174.1-174.30000110.9D111 Y113 R117 S118 L119D111-S115 WeakPolarHBondContact O-CB 3.43Å; D111-S115 PolarHBondContact O-N 2.88Å; Y113-S115 VanDerWaalsContact C-N 3.34Å; Y113-S115 PolarHBondContact O-N 2.83Å; S115-R117 PolarHBondContact O-N 3.41Å; S115-S118 PolarHBondContact O-N 3.16Å; S115-S118 PolarHBondContact O-OG 2.7Å; S115-L119 WeakPolarHBondContact O-CG 3.45Å; S115-L119 PolarHBondContact O-N 3.39Å
116C98.2Very high97.8Very high18 Ų1843.3 Ų43.312%0.12225%0.246CC..Hα-helixtrans-60.9-43.5178.3-176.60000112.3V101 A112 Y113 S118 L119 A120 L130V101-C116 HydrophobicContact CG1-CB 4.49Å; V101-C116 HydrophobicContact CG2-CB 3.74Å; A112-C116 WeakPolarHBondContact O-CB 3.35Å; A112-C116 PolarHBondContact O-N 2.81Å; Y113-C116 PolarHBondContact O-N 3Å; C116-S118 PolarHBondContact O-N 2.81Å; C116-L119 PolarHBondContact O-N 3.13Å; C116-A120 WeakPolarHBondContact O-CB 3.26Å; C116-A120 PolarHBondContact O-N 3.35Å; C116-L130 HydrophobicContact CB-CD1 4.31Å
117R98.1Very high98.1Very high47 Ų4737.3 Ų37.318%0.17722%0.218CC..Hα-helixtrans-57.9-46.3177.1-79.4-60.8-56.7-83.2-6.5112.2Y113 E114 S115 L119 A120 D121 Y128 L130 F461Y113-R117 HydrophobicContact CD1-CG 4.07Å; Y113-R117 HydrophobicContact CD2-CG 4.14Å; Y113-R117 HydrophobicContact CE1-CG 3.6Å; Y113-R117 HydrophobicContact CE2-CG 3.69Å; Y113-R117 HydrophobicContact CG-CG 4.32Å; Y113-R117 VanDerWaalsContact CZ-CG 3.41Å; Y113-R117 WeakPolarHBondContact O-CB 3.44Å; Y113-R117 VanDerWaalsContact O-CG 3.31Å; Y113-R117 WeakPolarHBondContact O-CG 3.5Å; Y113-R117 PolarHBondContact O-N 3.37Å; Y113-R117 PolarHBondContact OH-NH1 2.82Å; E114-R117 PolarHBondContact O-N 2.81Å; S115-R117 PolarHBondContact O-N 3.41Å; R117-L119 VanDerWaalsContact C-N 3.3Å; R117-L119 PolarHBondContact O-N 3.39Å; R117-A120 PolarHBondContact O-N 3.4Å; R117-D121 IonicContact CZ-OD2 3.27Å; R117-D121 IonicContact NE-OD2 3.58Å; R117-D121 PolarHBondContact NE-OD2 3.35Å; R117-D121 IonicContact NH2-OD1 3.52Å; R117-D121 IonicContact NH2-OD2 2.79Å; R117-D121 PolarHBondContact NH2-OD2 2.89Å; R117-D121 WeakPolarHBondContact O-CB 3.37Å; R117-D121 PolarHBondContact O-N 2.68Å; R117-Y128 PolarHBondContact NE-OH 3.3Å; R117-Y128 PolarHBondContact O-OH 3.33Å; R117-L130 HydrophobicContact CG-CD1 3.54Å; R117-F461 VanDerWaalsContact CZ-CD2 3.43Å; R117-F461 VanDerWaalsContact NH1-CZ 3.31Å; R117-F461 VanDerWaalsContact NH2-CG 3.33Å
118S97.6Very high98.3Very high73 Ų7334.6 Ų34.651%0.5120%0.2SC..Hα-helixtrans-60-39.8-179.974.40000112.6E114 S115 C116E114-S118 WeakPolarHBondContact O-CB 3.22Å; E114-S118 PolarHBondContact O-N 3.41Å; S115-S118 PolarHBondContact O-N 3.16Å; S115-S118 PolarHBondContact O-OG 2.7Å; C116-S118 PolarHBondContact O-N 2.81Å
119L97.6Very high98.3Very high57 Ų5734.1 Ų34.130%0.29820%0.197SC..Hα-helixtrans-69.6-43.8178-63.7176.1000111.6Q70 F82 S115 C116 R117 K123Q70-L119 HydrophobicContact CG-CD1 4.43Å; F82-L119 HydrophobicContact CD2-CB 4.28Å; F82-L119 HydrophobicContact CE2-CB 4.45Å; S115-L119 WeakPolarHBondContact O-CG 3.45Å; S115-L119 PolarHBondContact O-N 3.39Å; C116-L119 PolarHBondContact O-N 3.13Å; R117-L119 VanDerWaalsContact C-N 3.3Å; R117-L119 PolarHBondContact O-N 3.39Å; L119-K123 PolarHBondContact O-N 2.86Å
120A98.2Very high98.3Very high0 Ų034.1 Ų34.10%020%0.197CC..Hα-helixtrans-70.5-44.9-177.700000112.6F82 C116 R117 A122 K123 A124 Y128F82-A120 HydrophobicContact CD1-CB 3.51Å; F82-A120 HydrophobicContact CD2-CB 3.89Å; F82-A120 HydrophobicContact CE1-CB 3.49Å; F82-A120 VanDerWaalsContact CE1-CB 3.49Å; F82-A120 HydrophobicContact CE2-CB 3.86Å; F82-A120 HydrophobicContact CG-CB 3.72Å; F82-A120 HydrophobicContact CZ-CB 3.67Å; C116-A120 WeakPolarHBondContact O-CB 3.26Å; C116-A120 PolarHBondContact O-N 3.35Å; R117-A120 PolarHBondContact O-N 3.4Å; A120-A122 PolarHBondContact O-N 2.91Å; A120-K123 PolarHBondContact O-N 3.08Å; A120-K123 VanDerWaalsContact O-N 3.09Å; A120-A124 VanDerWaalsContact O-CB 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.39Å; A120-A124 PolarHBondContact O-N 2.92Å; A120-Y128 HydrophobicContact CB-CD2 4.02Å; A120-Y128 HydrophobicContact CB-CE1 4Å; A120-Y128 HydrophobicContact CB-CE2 3.31Å; A120-Y128 WeakPolarHBondContact CB-OH 3.36Å
121D98.4Very high98.3Very high60 Ų6032.5 Ų32.532%0.32119%0.188SC..Hα-helixtrans-61.9-30.1-179.3-84.2-44.2000111.6R117 Y128R117-D121 IonicContact CZ-OD2 3.27Å; R117-D121 IonicContact NE-OD2 3.58Å; R117-D121 PolarHBondContact NE-OD2 3.35Å; R117-D121 IonicContact NH2-OD1 3.52Å; R117-D121 IonicContact NH2-OD2 2.79Å; R117-D121 PolarHBondContact NH2-OD2 2.89Å; R117-D121 WeakPolarHBondContact O-CB 3.37Å; R117-D121 PolarHBondContact O-N 2.68Å; D121-Y128 PolarHBondContact N-OH 3.27Å; D121-Y128 VanDerWaalsContact N-OH 3.16Å; D121-Y128 PolarHBondContact OD1-OH 3.05Å; D121-Y128 PolarHBondContact OD2-OH 3.43Å
122A97.9Very high98.4Very high61 Ų6127.5 Ų27.550%0.50416%0.161SC..Hα-helixtrans-75.9-29176.900000113.8A120 G457A120-A122 PolarHBondContact O-N 2.91Å; A122-G457 WeakPolarHBondContact O-CA 3.36Å; A122-G457 PolarHBondContact O-N 3.38Å
123K98.4Very high98.4Very high53 Ų5326.3 Ų26.323%0.2315%0.151CC..Hα-helixtrans-119.8-32-164-72-174.6176.9-174.10115.5D81 F82 L119 A120 C125 G457D81-K123 IonicContact OD2-NZ 2.9Å; D81-K123 PolarHBondContact OD2-NZ 2.9Å; F82-K123 HydrophobicContact CB-CB 3.81Å; L119-K123 PolarHBondContact O-N 2.86Å; A120-K123 PolarHBondContact O-N 3.08Å; A120-K123 VanDerWaalsContact O-N 3.09Å; K123-C125 PolarHBondContact O-N 2.68Å; K123-G457 VanDerWaalsContact C-N 3.35Å; K123-G457 PolarHBondContact O-N 2.99Å
124A98.5Very high98.4Very high0 Ų026.1 Ų26.10%015%0.151CC..  trans-58.3131.6-171.300000112.5T86 A120 Y128 G457 S458 G459T86-A124 HydrophobicContact CG2-CB 4.25Å; A120-A124 VanDerWaalsContact O-CB 3.25Å; A120-A124 WeakPolarHBondContact O-CB 3.39Å; A120-A124 PolarHBondContact O-N 2.92Å; A124-Y128 HydrophobicContact CB-CD1 3.85Å; A124-Y128 HydrophobicContact CB-CE1 4.21Å; A124-G457 CarbonylContact O-C 3.58Å; A124-G457 VanDerWaalsContact O-CA 3.32Å; A124-G457 WeakPolarHBondContact O-CA 3.18Å; A124-G457 PolarHBondContact O-N 3.47Å; A124-S458 PolarHBondContact O-N 3.19Å; A124-S458 VanDerWaalsContact O-N 3.14Å; A124-G459 WeakPolarHBondContact O-CA 3.37Å; A124-G459 PolarHBondContact O-N 3.47Å
125C98.7Very high98.4Very high1 Ų121 Ų211%0.00713%0.127CC..SBendtrans-90.4-21.1177.3-66.30000113.2Y83 T86 L90 K123 F452 C454Y83-C125 WeakPolarHBondContact CD2-SG 3.17Å; Y83-C125 VanDerWaalsContact CE2-SG 3.52Å; T86-C125 WeakPolarHBondContact OG1-CB 3.36Å; T86-C125 PolarHBondContact OG1-N 2.83Å; L90-C125 HydrophobicContact CD1-CB 3.77Å; K123-C125 PolarHBondContact O-N 2.68Å; C125-F452 HydrophobicContact CB-CZ 4.07Å; C125-C454 HydrophobicContact CB-CB 4.3Å; C125-C454 PolarHBondContact O-SG 2.91Å
126C98.7Very high98.4Very high0 Ų019.4 Ų19.40%011%0.11CC..SBendtrans-123.5164.9177.174.40000110.9L90 T95 G459L90-C126 HydrophobicContact CD1-CB 3.98Å; L90-C126 HydrophobicContact CD2-CB 3.73Å; L90-C126 HydrophobicContact CG-CB 3.84Å; T95-C126 WeakPolarHBondContact O-CB 3.4Å; C126-G459 VanDerWaalsContact O-CA 3.28Å; C126-G459 WeakPolarHBondContact O-CA 3.35Å
127D98.9Very high98.4Very high0 Ų020.3 Ų20.30%011%0.111CC..EExtended strand (participates in β ladder)trans-60.2148.7178-78.3-5.1000110.6M96 V97 K391 R442 K460M96-D127 VanDerWaalsContact CA-O 3.25Å; M96-D127 WeakPolarHBondContact CA-O 3.43Å; M96-D127 WeakPolarHBondContact CG-O 3.31Å; V97-D127 PolarHBondContact N-O 2.67Å; D127-K391 IonicContact OD2-NZ 2.79Å; D127-K391 PolarHBondContact OD2-NZ 3.27Å; D127-R442 VanDerWaalsContact CG-NH1 3.32Å; D127-R442 VanDerWaalsContact OD1-CD 3.31Å; D127-R442 WeakPolarHBondContact OD1-CD 3.36Å; D127-R442 IonicContact OD1-CZ 3.61Å; D127-R442 IonicContact OD1-NE 3.57Å; D127-R442 IonicContact OD1-NH1 2.93Å; D127-R442 PolarHBondContact OD1-NH1 3.49Å; D127-R442 IonicContact OD2-NH1 3.41Å; D127-R442 PolarHBondContact OD2-NH1 3.07Å; D127-K460 WeakPolarHBondContact CA-O 3.18Å; D127-K460 PolarHBondContact OD1-N 2.93Å
128Y98.9Very high98.4Very high0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-144.7160.5-178.276.9-80.2000112.9V97 R117 A120 D121 A124 L130 K460 F461 Y462V97-Y128 CarbonylContact O-C 3.47Å; V97-Y128 WeakPolarHBondContact O-CA 3.21Å; V97-Y128 WeakPolarHBondContact O-CB 3.34Å; R117-Y128 PolarHBondContact NE-OH 3.3Å; R117-Y128 PolarHBondContact O-OH 3.33Å; A120-Y128 HydrophobicContact CB-CD2 4.02Å; A120-Y128 HydrophobicContact CB-CE1 4Å; A120-Y128 HydrophobicContact CB-CE2 3.31Å; A120-Y128 WeakPolarHBondContact CB-OH 3.36Å; D121-Y128 PolarHBondContact N-OH 3.27Å; D121-Y128 VanDerWaalsContact N-OH 3.16Å; D121-Y128 PolarHBondContact OD1-OH 3.05Å; D121-Y128 PolarHBondContact OD2-OH 3.43Å; A124-Y128 HydrophobicContact CB-CD1 3.85Å; A124-Y128 HydrophobicContact CB-CE1 4.21Å; Y128-L130 HydrophobicContact CD2-CD2 4.15Å; Y128-L130 HydrophobicContact CD2-CG 4.38Å; Y128-L130 HydrophobicContact CE2-CD2 4.18Å; Y128-L130 HydrophobicContact CE2-CG 4.18Å; Y128-K460 PolarHBondContact N-O 3.34Å; Y128-F461 HydrophobicContact CD2-CD2 4.27Å; Y128-F461 HydrophobicContact CE1-CB 3.91Å; Y128-F461 VanDerWaalsContact CE1-N 3.32Å; Y128-F461 HydrophobicContact CE2-CB 4.29Å; Y128-F461 AromaticContact CE2-CD2 3.83Å; Y128-F461 HydrophobicContact CE2-CD2 3.83Å; Y128-F461 CarbonylContact O-C 3.54Å; Y128-F461 WeakPolarHBondContact O-CA 3.36Å; Y128-Y462 PolarHBondContact O-N 3.34Å
129A98.8Very high98.4Very high0 Ų020.4 Ų20.40%012%0.119CC..EExtended strand (participates in β ladder)trans-134166.4174.100000109.6M96 V97 M98 A99 Q464M96-A129 HydrophobicContact CE-CB 3.45Å; M96-A129 VanDerWaalsContact CE-CB 3.45Å; V97-A129 PolarHBondContact O-N 3.34Å; M98-A129 CarbonylContact C-O 3.6Å; M98-A129 WeakPolarHBondContact CA-O 3.43Å; M98-A129 HydrophobicContact CB-CB 4.46Å; M98-A129 HydrophobicContact CE-CB 3.54Å; M98-A129 HydrophobicContact CG-CB 4.04Å; A99-A129 PolarHBondContact N-O 3.25Å; A129-Q464 HydrophobicContact CB-CG 4.48Å
130L98.8Very high98.4Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-125.8131.7179.5-63.7-175.7000111.4A99 V101 Y113 C116 R117 Y128 F461A99-L130 HydrophobicContact CB-CD2 3.78Å; A99-L130 WeakPolarHBondContact O-CA 3.32Å; V101-L130 HydrophobicContact CG2-CB 4.09Å; V101-L130 HydrophobicContact CG2-CD1 3.75Å; V101-L130 HydrophobicContact CG2-CD2 4.22Å; V101-L130 HydrophobicContact CG2-CG 4.26Å; Y113-L130 HydrophobicContact CD2-CB 4.41Å; Y113-L130 HydrophobicContact CD2-CD1 3.78Å; Y113-L130 HydrophobicContact CE2-CB 4.15Å; Y113-L130 HydrophobicContact CE2-CD1 3.66Å; Y113-L130 HydrophobicContact CE2-CG 4.44Å; C116-L130 HydrophobicContact CB-CD1 4.31Å; R117-L130 HydrophobicContact CG-CD1 3.54Å; Y128-L130 HydrophobicContact CD2-CD2 4.15Å; Y128-L130 HydrophobicContact CD2-CG 4.38Å; Y128-L130 HydrophobicContact CE2-CD2 4.18Å; Y128-L130 HydrophobicContact CE2-CG 4.18Å; L130-F461 HydrophobicContact CB-CE2 4.43Å; L130-F461 HydrophobicContact CG-CE2 4.28Å
131H98.8Very high98.4Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-88.4150.5158.7-57.4-47.1000108.8T65 M98 A99 L100 V101 S156 Y385T65-H131 PolarHBondContact O-NE2 2.92Å; M98-H131 WeakPolarHBondContact CB-NE2 3.45Å; M98-H131 WeakPolarHBondContact CE-CE1 3.37Å; A99-H131 PolarHBondContact O-N 3.08Å; L100-H131 HydrophobicContact CD1-CB 3.78Å; V101-H131 WeakPolarHBondContact CB-O 3.45Å; V101-H131 PolarHBondContact N-O 3.49Å; H131-S156 PolarHBondContact CE1-OG 3.2Å; H131-S156 WeakPolarHBondContact ND1-CB 3.5Å; H131-S156 PolarHBondContact ND1-OG 3.2Å; H131-Y385 AromaticContact CE1-CD1 3.97Å; H131-Y385 AromaticContact CE1-CE1 3.38Å; H131-Y385 WeakPolarHBondContact CE1-CE1 3.34Å; H131-Y385 AromaticContact CE1-CZ 3.64Å
132V98.9Very high98.4Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-118.1125.1174.9-1780000110.8V101 L109 Y113 L148 V154 S156 F157 Q158V101-V132 HydrophobicContact CB-CG2 4.28Å; V101-V132 HydrophobicContact CG2-CG2 4.43Å; L109-V132 HydrophobicContact CB-CG1 4.09Å; L109-V132 HydrophobicContact CD2-CG1 4.09Å; L109-V132 HydrophobicContact CG-CG1 3.95Å; Y113-V132 HydrophobicContact CD2-CG2 4.06Å; V132-L148 HydrophobicContact CB-CD1 4.24Å; V132-L148 HydrophobicContact CG1-CD1 3.95Å; V132-L148 HydrophobicContact CG2-CD1 4.06Å; V132-L148 HydrophobicContact CG2-CD2 4.44Å; V132-V154 HydrophobicContact CG2-CG1 4.04Å; V132-V154 HydrophobicContact CG2-CG2 4.2Å; V132-S156 PolarHBondContact N-O 2.99Å; V132-F157 HydrophobicContact CB-CD1 4.04Å; V132-F157 HydrophobicContact CB-CE1 4.17Å; V132-F157 CarbonylContact O-C 3.48Å; V132-F157 WeakPolarHBondContact O-CA 3.42Å; V132-Q158 PolarHBondContact O-N 2.94Å
133G98.6Very high98.4Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-69.2133.517600000111.9V101 P103 Q158V101-G133 PolarHBondContact O-N 2.81Å; P103-G133 VanDerWaalsContact CD-O 3.31Å; P103-G133 WeakPolarHBondContact CD-O 3.37Å; P103-G133 WeakPolarHBondContact CG-O 3.3Å; G133-Q158 CarbonylContact C-O 3.55Å; G133-Q158 WeakPolarHBondContact CA-O 3.49Å
134V98.7Very high98.4Very high0 Ų025 Ų250%012%0.124CC..  trans-107.389.2171.1-178.40000107.1L109 W136 W137 V141 M145 F157 Q158 M159 L169 T177L109-V134 HydrophobicContact CD2-CG2 4.29Å; V134-W136 WeakPolarHBondContact CG1-O 3.49Å; V134-W137 HydrophobicContact CG1-CE3 4.13Å; V134-V141 HydrophobicContact CG1-CG1 3.85Å; V134-M145 HydrophobicContact CG2-CE 4.41Å; V134-M145 HydrophobicContact CG2-SD 4.04Å; V134-F157 HydrophobicContact CG2-CB 4Å; V134-F157 HydrophobicContact CG2-CD1 3.99Å; V134-F157 HydrophobicContact CG2-CG 4.32Å; V134-Q158 PolarHBondContact N-O 3.19Å; V134-M159 HydrophobicContact CB-CG 4.17Å; V134-M159 HydrophobicContact CB-SD 4.39Å; V134-M159 HydrophobicContact CG2-SD 4.43Å; V134-L169 HydrophobicContact CG1-CD1 4.27Å; V134-T177 HydrophobicContact CB-CG2 4.34Å; V134-T177 HydrophobicContact CG1-CG2 3.96Å; V134-T177 HydrophobicContact CG2-CG2 4.34Å
135T97.9Very high98.5Very high1 Ų125 Ų251%0.00612%0.124CC..  trans-93.2-6.4-173.853.60000113.5L102 P103 M167L102-T135 HydrophobicContact CD1-CG2 3.9Å; P103-T135 WeakPolarHBondContact O-CG2 3.33Å; P103-T135 PolarHBondContact O-OG1 2.97Å; T135-M167 HydrophobicContact CG2-CB 4Å; T135-M167 HydrophobicContact CG2-CG 3.77Å; T135-M167 HydrophobicContact CG2-SD 4.17Å
136W97.9Very high98.5Very high36 Ų3627.2 Ų27.214%0.13613%0.134CC..SBendtrans-153.9168.317463.5-72.8000109.3Q105 H106 C107 V134 K140 V141Q105-W136 HydrophobicContact CG-CB 3.82Å; Q105-W136 HydrophobicContact CG-CG 4.42Å; H106-W136 VanDerWaalsContact CA-CE2 3.48Å; H106-W136 AromaticContact ND1-CE3 3.99Å; C107-W136 WeakPolarHBondContact O-CZ2 3.1Å; C107-W136 PolarHBondContact O-NE1 2.97Å; V134-W136 WeakPolarHBondContact CG1-O 3.49Å; W136-K140 HydrophobicContact CH2-CB 4.19Å; W136-K140 HydrophobicContact CH2-CD 4.22Å; W136-K140 HydrophobicContact CH2-CG 4.42Å; W136-V141 HydrophobicContact CD2-CG2 3.51Å; W136-V141 HydrophobicContact CE3-CG2 3.7Å; W136-V141 HydrophobicContact CG-CG2 4.22Å; W136-V141 HydrophobicContact CH2-CG2 3.66Å; W136-V141 HydrophobicContact CZ2-CG2 3.44Å; W136-V141 VanDerWaalsContact CZ2-CG2 3.44Å; W136-V141 HydrophobicContact CZ3-CG2 3.78Å
137W98Very high98.4Very high38 Ų3828.2 Ų28.214%0.14414%0.141CC..  trans-134.1141.6-176.1-173.4-111000113.5V134 V141 R142 M145 E173 Q176 T177 T180V134-W137 HydrophobicContact CG1-CE3 4.13Å; W137-V141 HydrophobicContact CE3-CB 4.24Å; W137-V141 HydrophobicContact CE3-CG1 3.78Å; W137-V141 HydrophobicContact CZ3-CB 4.46Å; W137-V141 HydrophobicContact CZ3-CG1 3.88Å; W137-R142 HydrophobicContact CH2-CB 3.94Å; W137-R142 HydrophobicContact CZ2-CB 4.32Å; W137-M145 HydrophobicContact CH2-SD 4.25Å; W137-M145 HydrophobicContact CZ3-SD 3.62Å; W137-E173 HydrophobicContact CB-CB 3.91Å; W137-E173 HydrophobicContact CB-CG 3.96Å; W137-E173 HydrophobicContact CG-CB 4.24Å; W137-E173 HydrophobicContact CG-CG 4.41Å; W137-Q176 VanDerWaalsContact CD1-OE1 3.26Å; W137-Q176 HydrophobicContact CZ2-CB 3.8Å; W137-Q176 VanDerWaalsContact NE1-CB 3.29Å; W137-T177 HydrophobicContact CE3-CG2 4.38Å; W137-T177 HydrophobicContact CZ3-CG2 4.08Å; W137-T177 WeakPolarHBondContact CZ3-OG1 3.34Å; W137-T180 HydrophobicContact CH2-CG2 4.2Å; W137-T180 WeakPolarHBondContact CH2-OG1 3.43Å
138G97.3Very high98.4Very high14 Ų1428.2 Ų28.214%0.14414%0.141CC..SBendtrans173.1177.1175.600000112.2K140 V141 R142G138-K140 VanDerWaalsContact C-N 3.26Å; G138-K140 PolarHBondContact O-N 2.95Å; G138-V141 PolarHBondContact O-N 3.21Å; G138-V141 VanDerWaalsContact O-N 3.16Å; G138-R142 PolarHBondContact O-N 2.83Å; G138-R142 VanDerWaalsContact O-N 3.11Å
139P97.8Very high98.4Very high108 Ų10829 Ų2970%0.70115%0.146SC*.Hα-helixtrans-56.8-36.2-178.7-26.535.2000114R142 N143P139-R142 PolarHBondContact O-N 2.91Å; P139-N143 VanDerWaalsContact O-CG 3.28Å; P139-N143 PolarHBondContact O-N 2.74Å; P139-N143 VanDerWaalsContact O-N 3.12Å; P139-N143 PolarHBondContact O-ND2 2.76Å
140K97.9Very high98.3Very high104 Ų10438 Ų3845%0.45218%0.18SC..Hα-helixtrans-61.6-50.3176.1178.9174.2168.6-178.50111.5W136 G138 R142 N143 E144W136-K140 HydrophobicContact CH2-CB 4.19Å; W136-K140 HydrophobicContact CH2-CD 4.22Å; W136-K140 HydrophobicContact CH2-CG 4.42Å; G138-K140 VanDerWaalsContact C-N 3.26Å; G138-K140 PolarHBondContact O-N 2.95Å; K140-R142 VanDerWaalsContact C-N 3.32Å; K140-R142 PolarHBondContact O-N 2.94Å; K140-N143 PolarHBondContact O-N 2.97Å; K140-N143 VanDerWaalsContact O-N 3.13Å; K140-E144 WeakPolarHBondContact CE-OE1 3.43Å; K140-E144 HydrophobicContact CG-CG 4.45Å; K140-E144 IonicContact NZ-OE1 3.78Å; K140-E144 WeakPolarHBondContact O-CG 3.36Å; K140-E144 PolarHBondContact O-N 3.07Å
141V98.6Very high98.3Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-58-45178.4176.50000111L109 V134 W136 W137 G138 N143 E144 M145L109-V141 HydrophobicContact CD1-CG1 4.29Å; L109-V141 HydrophobicContact CD1-CG2 4.26Å; L109-V141 HydrophobicContact CD2-CG1 3.93Å; V134-V141 HydrophobicContact CG1-CG1 3.85Å; W136-V141 HydrophobicContact CD2-CG2 3.51Å; W136-V141 HydrophobicContact CE3-CG2 3.7Å; W136-V141 HydrophobicContact CG-CG2 4.22Å; W136-V141 HydrophobicContact CH2-CG2 3.66Å; W136-V141 HydrophobicContact CZ2-CG2 3.44Å; W136-V141 VanDerWaalsContact CZ2-CG2 3.44Å; W136-V141 HydrophobicContact CZ3-CG2 3.78Å; W137-V141 HydrophobicContact CE3-CB 4.24Å; W137-V141 HydrophobicContact CE3-CG1 3.78Å; W137-V141 HydrophobicContact CZ3-CB 4.46Å; W137-V141 HydrophobicContact CZ3-CG1 3.88Å; G138-V141 PolarHBondContact O-N 3.21Å; G138-V141 VanDerWaalsContact O-N 3.16Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.16Å; V141-E144 PolarHBondContact O-N 3.23Å; V141-M145 HydrophobicContact CG1-CG 4.41Å; V141-M145 HydrophobicContact CG1-SD 4.16Å; V141-M145 VanDerWaalsContact O-CG 3.29Å; V141-M145 WeakPolarHBondContact O-CG 3.39Å; V141-M145 PolarHBondContact O-N 3.02Å
142R98.5Very high98.2Very high109 Ų10947 Ų4741%0.41122%0.222SC..Hα-helixtrans-55.4-48.2175.5176.2-179.3174.6165.35.7112W137 G138 P139 K140 M145 E146 T180W137-R142 HydrophobicContact CH2-CB 3.94Å; W137-R142 HydrophobicContact CZ2-CB 4.32Å; G138-R142 PolarHBondContact O-N 2.83Å; G138-R142 VanDerWaalsContact O-N 3.11Å; P139-R142 PolarHBondContact O-N 2.91Å; K140-R142 VanDerWaalsContact C-N 3.32Å; K140-R142 PolarHBondContact O-N 2.94Å; R142-M145 PolarHBondContact O-N 3.23Å; R142-E146 IonicContact NE-OE1 2.74Å; R142-E146 PolarHBondContact NE-OE1 3.13Å; R142-E146 PolarHBondContact O-N 3.22Å; R142-E146 VanDerWaalsContact O-N 3.13Å; R142-T180 HydrophobicContact CG-CG2 4.02Å
143N98.6Very high98.1Very high98 Ų9847.6 Ų47.652%0.52423%0.228SC..Hα-helixtrans-66.3-39.3-179.5-66.5-13.6000111.9P139 K140 V141 E146 S147P139-N143 VanDerWaalsContact O-CG 3.28Å; P139-N143 PolarHBondContact O-N 2.74Å; P139-N143 VanDerWaalsContact O-N 3.12Å; P139-N143 PolarHBondContact O-ND2 2.76Å; K140-N143 PolarHBondContact O-N 2.97Å; K140-N143 VanDerWaalsContact O-N 3.13Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 3.16Å; N143-E146 WeakPolarHBondContact O-CB 3.14Å; N143-E146 PolarHBondContact O-N 2.99Å; N143-S147 PolarHBondContact O-N 3.29Å
144E98.8Very high98.1Very high17 Ų1747.6 Ų47.68%0.07923%0.228CC..Hα-helixtrans-66.5-37.8176.6-71.4178.6171.100111.9S108 L109 L110 K140 V141 E146 S147 L148S108-E144 PolarHBondContact OG-OE1 2.77Å; L109-E144 HydrophobicContact CB-CB 4.18Å; L109-E144 WeakPolarHBondContact CB-OE2 3.35Å; L109-E144 PolarHBondContact N-OE2 3.32Å; L110-E144 HydrophobicContact CD1-CB 4.44Å; L110-E144 HydrophobicContact CD1-CG 3.97Å; L110-E144 HydrophobicContact CG-CB 4.28Å; L110-E144 HydrophobicContact CG-CG 4.18Å; K140-E144 WeakPolarHBondContact CE-OE1 3.43Å; K140-E144 HydrophobicContact CG-CG 4.45Å; K140-E144 IonicContact NZ-OE1 3.78Å; K140-E144 WeakPolarHBondContact O-CG 3.36Å; K140-E144 PolarHBondContact O-N 3.07Å; V141-E144 PolarHBondContact O-N 3.23Å; E144-E146 VanDerWaalsContact C-N 3.31Å; E144-E146 PolarHBondContact O-N 2.86Å; E144-S147 PolarHBondContact O-N 2.75Å; E144-L148 WeakPolarHBondContact O-CB 3.43Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.39Å; E144-L148 PolarHBondContact O-N 2.81Å
145M98.8Very high98.1Very high0 Ų047.6 Ų47.60%023%0.228CC..Hα-helixtrans-60.3-41.2171.5-70173.46900111.8L109 V134 W137 V141 R142 V149 F157 T177 T180 I184L109-M145 HydrophobicContact CD2-CG 4.06Å; V134-M145 HydrophobicContact CG2-CE 4.41Å; V134-M145 HydrophobicContact CG2-SD 4.04Å; W137-M145 HydrophobicContact CH2-SD 4.25Å; W137-M145 HydrophobicContact CZ3-SD 3.62Å; V141-M145 HydrophobicContact CG1-CG 4.41Å; V141-M145 HydrophobicContact CG1-SD 4.16Å; V141-M145 VanDerWaalsContact O-CG 3.29Å; V141-M145 WeakPolarHBondContact O-CG 3.39Å; V141-M145 PolarHBondContact O-N 3.02Å; R142-M145 PolarHBondContact O-N 3.23Å; M145-V149 PolarHBondContact O-N 2.89Å; M145-V149 VanDerWaalsContact O-N 3.13Å; M145-F157 HydrophobicContact CB-CE1 3.96Å; M145-F157 HydrophobicContact CB-CE2 4.34Å; M145-F157 HydrophobicContact CB-CZ 3.74Å; M145-F157 HydrophobicContact CE-CB 4.33Å; M145-F157 HydrophobicContact CE-CD1 4.09Å; M145-F157 HydrophobicContact CE-CD2 3.68Å; M145-F157 HydrophobicContact CE-CE1 4.34Å; M145-F157 HydrophobicContact CE-CE2 3.96Å; M145-F157 HydrophobicContact CE-CG 3.75Å; M145-F157 HydrophobicContact CE-CZ 4.27Å; M145-F157 HydrophobicContact CG-CD1 3.99Å; M145-F157 HydrophobicContact CG-CE1 3.6Å; M145-F157 HydrophobicContact CG-CZ 3.89Å; M145-T177 HydrophobicContact CE-CG2 4.14Å; M145-T177 HydrophobicContact SD-CG2 4.41Å; M145-T180 HydrophobicContact CB-CG2 4.4Å; M145-T180 HydrophobicContact CE-CG2 3.88Å; M145-T180 HydrophobicContact SD-CG2 4.04Å; M145-I184 HydrophobicContact CB-CD1 4.1Å; M145-I184 HydrophobicContact CE-CD1 4.16Å
146E98.5Very high98.1Very high46 Ų4647.5 Ų47.522%0.21523%0.228CC..Hα-helixtrans-63.5-43.6175.9-74179.4-158.100112.1R142 N143 E144 V149 R150 I184R142-E146 IonicContact NE-OE1 2.74Å; R142-E146 PolarHBondContact NE-OE1 3.13Å; R142-E146 PolarHBondContact O-N 3.22Å; R142-E146 VanDerWaalsContact O-N 3.13Å; N143-E146 WeakPolarHBondContact O-CB 3.14Å; N143-E146 PolarHBondContact O-N 2.99Å; E144-E146 VanDerWaalsContact C-N 3.31Å; E144-E146 PolarHBondContact O-N 2.86Å; E146-V149 PolarHBondContact O-N 3.15Å; E146-R150 WeakPolarHBondContact O-CB 3.38Å; E146-R150 VanDerWaalsContact O-CG 3.25Å; E146-R150 WeakPolarHBondContact O-CG 3.21Å; E146-R150 PolarHBondContact O-N 3.31Å; E146-R150 IonicContact OE2-NH2 3.63Å; E146-I184 HydrophobicContact CG-CG2 3.63Å
147S98.4Very high98.2Very high22 Ų2245.8 Ų45.815%0.15422%0.221CC..Hα-helixtrans-65.2-47175.8168.60000111.7N143 E144 V149 R150 E151N143-S147 PolarHBondContact O-N 3.29Å; E144-S147 PolarHBondContact O-N 2.75Å; S147-V149 PolarHBondContact O-N 3.49Å; S147-R150 PolarHBondContact O-N 2.77Å; S147-R150 VanDerWaalsContact O-N 3.09Å; S147-E151 WeakPolarHBondContact O-CB 3.35Å; S147-E151 PolarHBondContact O-N 3.22Å; S147-E151 PolarHBondContact OG-OE2 2.85Å
148L98.8Very high98.2Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-53.8-40.8177.2-79.5168.4000112.6L109 L110 Y113 V132 E144 H152 G153 V154 F157L109-L148 HydrophobicContact CB-CD1 3.99Å; L109-L148 HydrophobicContact CD2-CD1 4.45Å; L110-L148 HydrophobicContact CD2-CD2 3.71Å; L110-L148 HydrophobicContact CD2-CG 3.73Å; L110-L148 HydrophobicContact CG-CG 4.49Å; Y113-L148 HydrophobicContact CD1-CD2 3.82Å; Y113-L148 HydrophobicContact CD2-CD2 3.93Å; Y113-L148 HydrophobicContact CE1-CD2 4.36Å; Y113-L148 HydrophobicContact CE2-CD2 4.45Å; Y113-L148 HydrophobicContact CG-CD2 3.56Å; V132-L148 HydrophobicContact CB-CD1 4.24Å; V132-L148 HydrophobicContact CG1-CD1 3.95Å; V132-L148 HydrophobicContact CG2-CD1 4.06Å; V132-L148 HydrophobicContact CG2-CD2 4.44Å; E144-L148 WeakPolarHBondContact O-CB 3.43Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.39Å; E144-L148 PolarHBondContact O-N 2.81Å; L148-H152 HydrophobicContact CD2-CB 4.25Å; L148-H152 CarbonylContact O-C 3.54Å; L148-H152 WeakPolarHBondContact O-CA 3.34Å; L148-H152 WeakPolarHBondContact O-CB 3.48Å; L148-H152 PolarHBondContact O-N 2.93Å; L148-G153 PolarHBondContact O-N 3.11Å; L148-G153 VanDerWaalsContact O-N 3.16Å; L148-V154 HydrophobicContact CB-CB 4.22Å; L148-V154 HydrophobicContact CB-CG2 4.45Å; L148-V154 HydrophobicContact CD2-CG2 4.19Å; L148-V154 PolarHBondContact O-N 3.09Å; L148-F157 HydrophobicContact CB-CE1 4.49Å; L148-F157 HydrophobicContact CB-CZ 4.33Å; L148-F157 HydrophobicContact CD1-CE1 3.96Å
149V98.3Very high98.3Very high17 Ų1743.6 Ų43.610%0.10321%0.208CC..Hα-helixtrans-68.9-49.5175.6155.30000112.5M145 E146 S147 V154 F157 I184 A186 T466M145-V149 PolarHBondContact O-N 2.89Å; M145-V149 VanDerWaalsContact O-N 3.13Å; E146-V149 PolarHBondContact O-N 3.15Å; S147-V149 PolarHBondContact O-N 3.49Å; V149-V154 VanDerWaalsContact CA-O 3.32Å; V149-V154 WeakPolarHBondContact CA-O 3.45Å; V149-V154 WeakPolarHBondContact CG2-O 3.33Å; V149-F157 HydrophobicContact CG2-CE2 3.91Å; V149-F157 HydrophobicContact CG2-CZ 4.1Å; V149-I184 HydrophobicContact CG1-CB 4.34Å; V149-I184 HydrophobicContact CG2-CB 4.33Å; V149-I184 HydrophobicContact CG2-CD1 3.8Å; V149-I184 HydrophobicContact CG2-CG1 3.97Å; V149-A186 HydrophobicContact CG2-CB 4.39Å; V149-T466 HydrophobicContact CB-CG2 4.15Å; V149-T466 HydrophobicContact CG1-CG2 3.34Å; V149-T466 HydrophobicContact CG2-CG2 3.83Å
150R97.1Very high98.4Very high189 Ų18939 Ų3971%0.71318%0.178SC*.Hα-helixtrans-76-36.2-170.2-71.4177.5-174.9-1637.6113E146 S147E146-R150 WeakPolarHBondContact O-CB 3.38Å; E146-R150 VanDerWaalsContact O-CG 3.25Å; E146-R150 WeakPolarHBondContact O-CG 3.21Å; E146-R150 PolarHBondContact O-N 3.31Å; E146-R150 IonicContact OE2-NH2 3.63Å; S147-R150 PolarHBondContact O-N 2.77Å; S147-R150 VanDerWaalsContact O-N 3.09Å
151E97.5Very high98.4Very high141 Ų14134.1 Ų34.166%0.65916%0.156SC*.Hα-helixtrans-114.4-28.8-165.2-66.1161.1-172.900112.1S147S147-E151 WeakPolarHBondContact O-CB 3.35Å; S147-E151 PolarHBondContact O-N 3.22Å; S147-E151 PolarHBondContact OG-OE2 2.85Å
152H97.8Very high98.4Very high47 Ų4734.1 Ų34.122%0.21816%0.157CC..SBendtrans-110.4-7.1-170.8-62.1-85.8000114.6Y113 L148 F461Y113-H152 HydrophobicContact CD1-CB 4.4Å; Y113-H152 HydrophobicContact CE1-CB 3.57Å; Y113-H152 AromaticContact CE1-CG 3.73Å; Y113-H152 AromaticContact CE1-ND1 3.51Å; Y113-H152 PolarHBondContact OH-O 2.92Å; L148-H152 HydrophobicContact CD2-CB 4.25Å; L148-H152 CarbonylContact O-C 3.54Å; L148-H152 WeakPolarHBondContact O-CA 3.34Å; L148-H152 WeakPolarHBondContact O-CB 3.48Å; L148-H152 PolarHBondContact O-N 2.93Å; H152-F461 WeakPolarHBondContact O-CE1 3.46Å; H152-F461 WeakPolarHBondContact O-CZ 3.33Å
153G97.3Very high98.3Very high12 Ų1230.5 Ų30.512%0.12414%0.143CC..  trans72.231.9175.700000114L148 Q464L148-G153 PolarHBondContact O-N 3.11Å; L148-G153 VanDerWaalsContact O-N 3.16Å; G153-Q464 PolarHBondContact O-N 3.45Å
154V98.4Very high98.2Very high0 Ų028.8 Ų28.80%013%0.131CC..  trans-91.5133.5168.4174.40000108.4Y113 V132 L148 V149 F157Y113-V154 HydrophobicContact CD2-CG2 3.93Å; Y113-V154 HydrophobicContact CE2-CG2 3.43Å; Y113-V154 VanDerWaalsContact CE2-CG2 3.43Å; V132-V154 HydrophobicContact CG2-CG1 4.04Å; V132-V154 HydrophobicContact CG2-CG2 4.2Å; L148-V154 HydrophobicContact CB-CB 4.22Å; L148-V154 HydrophobicContact CB-CG2 4.45Å; L148-V154 HydrophobicContact CD2-CG2 4.19Å; L148-V154 PolarHBondContact O-N 3.09Å; V149-V154 VanDerWaalsContact CA-O 3.32Å; V149-V154 WeakPolarHBondContact CA-O 3.45Å; V149-V154 WeakPolarHBondContact CG2-O 3.33Å; V154-F157 HydrophobicContact CG1-CE1 4.36Å; V154-F157 HydrophobicContact CG1-CZ 4.25Å
155N98.1Very high97.9Very high0 Ų034.4 Ų34.40%016%0.161CC..  trans-123.512.7174.176.5-3.5000114A186 I187 Y385 Q464 R465 T466N155-A186 CarbonylContact O-C 3.52Å; N155-A186 WeakPolarHBondContact O-CA 3.42Å; N155-A186 WeakPolarHBondContact O-CB 3.39Å; N155-I187 PolarHBondContact O-N 2.95Å; N155-Y385 PolarHBondContact ND2-O 3.23Å; N155-Q464 HydrophobicContact CB-CB 3.97Å; N155-Q464 WeakPolarHBondContact ND2-CB 3.43Å; N155-Q464 PolarHBondContact OD1-OE1 3.24Å; N155-R465 PolarHBondContact ND2-O 3.38Å; N155-T466 HydrophobicContact CB-CG2 3.9Å
156S98.8Very high97.7Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-149.6133.3-171.239.70000112.5H131 V132 I187H131-S156 PolarHBondContact CE1-OG 3.2Å; H131-S156 WeakPolarHBondContact ND1-CB 3.5Å; H131-S156 PolarHBondContact ND1-OG 3.2Å; V132-S156 PolarHBondContact N-O 2.99Å; S156-I187 WeakPolarHBondContact CA-O 3.4Å
157F98.9Very high97.6Very high0 Ų038.2 Ų38.20%018%0.183CC..EExtended strand (participates in β ladder)trans-124.5139.5-175.6-63.7-82.6000110.5V132 V134 M145 L148 V149 V154 M159 I184 A186 I187 R189V132-F157 HydrophobicContact CB-CD1 4.04Å; V132-F157 HydrophobicContact CB-CE1 4.17Å; V132-F157 CarbonylContact O-C 3.48Å; V132-F157 WeakPolarHBondContact O-CA 3.42Å; V134-F157 HydrophobicContact CG2-CB 4Å; V134-F157 HydrophobicContact CG2-CD1 3.99Å; V134-F157 HydrophobicContact CG2-CG 4.32Å; M145-F157 HydrophobicContact CB-CE1 3.96Å; M145-F157 HydrophobicContact CB-CE2 4.34Å; M145-F157 HydrophobicContact CB-CZ 3.74Å; M145-F157 HydrophobicContact CE-CB 4.33Å; M145-F157 HydrophobicContact CE-CD1 4.09Å; M145-F157 HydrophobicContact CE-CD2 3.68Å; M145-F157 HydrophobicContact CE-CE1 4.34Å; M145-F157 HydrophobicContact CE-CE2 3.96Å; M145-F157 HydrophobicContact CE-CG 3.75Å; M145-F157 HydrophobicContact CE-CZ 4.27Å; M145-F157 HydrophobicContact CG-CD1 3.99Å; M145-F157 HydrophobicContact CG-CE1 3.6Å; M145-F157 HydrophobicContact CG-CZ 3.89Å; L148-F157 HydrophobicContact CB-CE1 4.49Å; L148-F157 HydrophobicContact CB-CZ 4.33Å; L148-F157 HydrophobicContact CD1-CE1 3.96Å; V149-F157 HydrophobicContact CG2-CE2 3.91Å; V149-F157 HydrophobicContact CG2-CZ 4.1Å; V154-F157 HydrophobicContact CG1-CE1 4.36Å; V154-F157 HydrophobicContact CG1-CZ 4.25Å; F157-M159 HydrophobicContact CB-SD 4.1Å; F157-I184 HydrophobicContact CD2-CD1 4.42Å; F157-I184 HydrophobicContact CE2-CD1 3.64Å; F157-I184 HydrophobicContact CZ-CD1 4.26Å; F157-A186 HydrophobicContact CD2-CB 3.7Å; F157-A186 HydrophobicContact CE2-CB 3.66Å; F157-I187 PolarHBondContact N-O 2.92Å; F157-R189 WeakPolarHBondContact O-CA 3.46Å; F157-R189 WeakPolarHBondContact O-CB 3.49Å; F157-R189 PolarHBondContact O-N 2.61Å
158Q98.9Very high97.6Very high5 Ų538.7 Ų38.72%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-105.8124-179.1178.469.757.400110.6L100 V132 G133 V134 F160 R189 H191L100-Q158 HydrophobicContact CD1-CB 3.54Å; L100-Q158 HydrophobicContact CD1-CG 4.03Å; L100-Q158 HydrophobicContact CD2-CB 4.47Å; L100-Q158 HydrophobicContact CD2-CG 4.05Å; V132-Q158 PolarHBondContact O-N 2.94Å; G133-Q158 CarbonylContact C-O 3.55Å; G133-Q158 WeakPolarHBondContact CA-O 3.49Å; V134-Q158 PolarHBondContact N-O 3.19Å; Q158-F160 HydrophobicContact CG-CE1 4.28Å; Q158-F160 HydrophobicContact CG-CE2 3.76Å; Q158-F160 HydrophobicContact CG-CZ 3.6Å; Q158-R189 CarbonylContact C-O 3.56Å; Q158-R189 WeakPolarHBondContact CA-O 3.3Å; Q158-R189 HydrophobicContact CB-CB 4.4Å; Q158-R189 VanDerWaalsContact OE1-CB 3.26Å; Q158-H191 VanDerWaalsContact NE2-N 3.14Å
159M98.8Very high97.5Very high0 Ų038.9 Ų38.90%018%0.184CC..EExtended strand (participates in β ladder)trans-113.2158.2174.6-67.775.869.800110.2V134 F157 L169 L174 T177 L178 A188 R189 V190 H191V134-M159 HydrophobicContact CB-CG 4.17Å; V134-M159 HydrophobicContact CB-SD 4.39Å; V134-M159 HydrophobicContact CG2-SD 4.43Å; F157-M159 HydrophobicContact CB-SD 4.1Å; M159-L169 HydrophobicContact CB-CD1 4.08Å; M159-L169 HydrophobicContact CG-CD1 3.7Å; M159-L174 HydrophobicContact CB-CD1 4.02Å; M159-L174 HydrophobicContact CE-CD1 4.44Å; M159-L174 HydrophobicContact CG-CD1 4.2Å; M159-T177 HydrophobicContact CE-CG2 4.34Å; M159-T177 HydrophobicContact CG-CG2 3.85Å; M159-T177 HydrophobicContact SD-CG2 3.74Å; M159-L178 HydrophobicContact CE-CD2 3.76Å; M159-A188 HydrophobicContact CE-CB 3.52Å; M159-R189 PolarHBondContact N-O 3.05Å; M159-V190 HydrophobicContact CB-CG2 4.45Å; M159-V190 HydrophobicContact CE-CG2 3.98Å; M159-V190 WeakPolarHBondContact O-CA 3.19Å; M159-H191 PolarHBondContact O-N 3.11Å
160F98.8Very high97.6Very high12 Ų1245.5 Ų45.55%0.05321%0.207CC..EExtended strand (participates in β ladder)trans-127.1132-180-58.6-93.4000109.9L100 L102 Q158 Y163 M167 M168 L169 H191L100-F160 HydrophobicContact CD2-CZ 4.06Å; L102-F160 HydrophobicContact CD1-CE2 3.7Å; L102-F160 HydrophobicContact CD1-CZ 3.86Å; Q158-F160 HydrophobicContact CG-CE1 4.28Å; Q158-F160 HydrophobicContact CG-CE2 3.76Å; Q158-F160 HydrophobicContact CG-CZ 3.6Å; F160-Y163 HydrophobicContact CD1-CD2 4.1Å; F160-Y163 HydrophobicContact CD1-CE2 4.24Å; F160-M167 HydrophobicContact CB-CB 4.1Å; F160-M167 HydrophobicContact CD1-CE 4.13Å; F160-M167 HydrophobicContact CD2-CB 3.86Å; F160-M167 HydrophobicContact CD2-SD 4.22Å; F160-M167 HydrophobicContact CE1-CE 4.15Å; F160-M167 HydrophobicContact CE2-SD 4.03Å; F160-M167 HydrophobicContact CG-CB 4.04Å; F160-M167 HydrophobicContact CG-CE 4.36Å; F160-M167 HydrophobicContact CZ-CE 4.39Å; F160-M167 HydrophobicContact CZ-SD 4.19Å; F160-M168 WeakPolarHBondContact O-CA 3.37Å; F160-L169 PolarHBondContact O-N 2.89Å; F160-H191 HydrophobicContact CD1-CB 3.59Å; F160-H191 AromaticContact CD1-CG 3.98Å; F160-H191 HydrophobicContact CE1-CB 4.1Å; F160-H191 HydrophobicContact CG-CB 4.37Å
161M98.9Very high97.6Very high1 Ų139.9 Ų39.91%0.00519%0.191CC..SBendtrans-96.5-6168.5-61.1177.668.200112M168 L174 V190 H191 A192 E193 G195 A228 R231 A232M161-M168 WeakPolarHBondContact O-CE 3.45Å; M161-L174 HydrophobicContact CG-CD2 4.21Å; M161-L174 HydrophobicContact SD-CD2 4.14Å; M161-V190 HydrophobicContact CG-CG1 3.9Å; M161-V190 HydrophobicContact SD-CG1 3.79Å; M161-H191 PolarHBondContact N-O 3.25Å; M161-A192 HydrophobicContact SD-CB 4.22Å; M161-E193 CarbonylContact C-O 3.58Å; M161-E193 WeakPolarHBondContact CB-O 3.46Å; M161-G195 WeakPolarHBondContact O-CA 3.35Å; M161-G195 PolarHBondContact O-N 3.26Å; M161-A228 HydrophobicContact CE-CB 3.8Å; M161-A228 WeakPolarHBondContact CE-O 3.48Å; M161-A228 HydrophobicContact SD-CB 4.1Å; M161-R231 HydrophobicContact CE-CB 4.22Å; M161-R231 HydrophobicContact CE-CG 4.11Å; M161-R231 VanDerWaalsContact CE-NH1 3.34Å; M161-A232 HydrophobicContact SD-CB 3.68Å
162A97.6Very high97.7Very high1 Ų136.3 Ų36.31%0.00818%0.182CC..  trans-110.7-175.5176.800000111M168 E193A162-M168 WeakPolarHBondContact O-CA 3.47Å; A162-M168 VanDerWaalsContact O-CB 3.29Å; A162-M168 WeakPolarHBondContact O-CB 3.47Å; A162-M168 PolarHBondContact O-N 3.31Å; A162-E193 HydrophobicContact CB-CB 4.08Å
163Y96.9Very high97.7Very high33 Ų3335.8 Ų35.813%0.12918%0.179CC..SBendtrans60.758.5-177.1-57-84000112.1F73 F160 D165 L166 M167 M168 V297 H346F73-Y163 AromaticContact CZ-CE1 3.8Å; F73-Y163 HydrophobicContact CZ-CE1 3.8Å; F73-Y163 AromaticContact CZ-CZ 3.87Å; F160-Y163 HydrophobicContact CD1-CD2 4.1Å; F160-Y163 HydrophobicContact CD1-CE2 4.24Å; Y163-D165 PolarHBondContact O-N 2.77Å; Y163-L166 PolarHBondContact O-N 3.1Å; Y163-L166 VanDerWaalsContact O-N 3.08Å; Y163-M167 HydrophobicContact CD1-CE 3.92Å; Y163-M167 HydrophobicContact CD2-CE 3.3Å; Y163-M167 HydrophobicContact CE1-CE 4.26Å; Y163-M167 HydrophobicContact CE2-CE 3.71Å; Y163-M167 HydrophobicContact CG-CE 3.39Å; Y163-M167 PolarHBondContact O-N 3.09Å; Y163-M168 PolarHBondContact O-N 3.3Å; Y163-V297 HydrophobicContact CE2-CG2 4.28Å; Y163-V297 WeakPolarHBondContact OH-CG2 3.49Å; Y163-H346 AromaticContact CE1-CE1 3.78Å; Y163-H346 AromaticContact CE1-ND1 3.53Å; Y163-H346 AromaticContact CZ-ND1 3.72Å; Y163-H346 PolarHBondContact OH-ND1 3.5Å; Y163-H346 VanDerWaalsContact OH-ND1 3.1Å
164K96.9Very high97.8Very high61 Ų6135.2 Ų35.227%0.26517%0.174SC..THydrogen-bonded Turntrans-48.1137.9174.1-174.7-177.1176.5171.50110.3L166 M168 E196 A199K164-L166 PolarHBondContact O-N 3.25Å; K164-L166 VanDerWaalsContact O-N 3.1Å; K164-M168 HydrophobicContact CB-SD 4.13Å; K164-M168 HydrophobicContact CG-SD 4.49Å; K164-E196 WeakPolarHBondContact CD-OE2 3.28Å; K164-E196 WeakPolarHBondContact CE-OE2 3.41Å; K164-E196 IonicContact NZ-OE1 3.24Å; K164-E196 IonicContact NZ-OE2 3.97Å; K164-E196 PolarHBondContact NZ-OE2 2.87Å; K164-A199 HydrophobicContact CB-CB 4.45Å; K164-A199 HydrophobicContact CD-CB 4.04Å
165D93.3Very high97.8Very high135 Ų13539.3 Ų39.372%0.72219%0.189SC*.THydrogen-bonded Turntrans63.94.4-178.6-50.8-40.9000116.2Y163Y163-D165 PolarHBondContact O-N 2.77Å
166L93.6Very high97.9Very high114 Ų11443.7 Ų43.760%0.59721%0.21SC*.THydrogen-bonded Turntrans-118.8-54.4174.1-73.2112.4000112.9Y163 K164Y163-L166 PolarHBondContact O-N 3.1Å; Y163-L166 VanDerWaalsContact O-N 3.08Å; K164-L166 PolarHBondContact O-N 3.25Å; K164-L166 VanDerWaalsContact O-N 3.1Å
167M95.8Very high97.9Very high13 Ų1343.7 Ų43.76%0.06421%0.21CC..THydrogen-bonded Turntrans-138.7-8.4-172.1-56-176.4-68.100113.7F73 L102 T135 F160 Y163 L169F73-M167 HydrophobicContact CE2-CE 4.09Å; F73-M167 HydrophobicContact CZ-CE 4.5Å; L102-M167 HydrophobicContact CD1-SD 3.74Å; L102-M167 HydrophobicContact CD2-SD 3.69Å; L102-M167 HydrophobicContact CG-SD 4.05Å; T135-M167 HydrophobicContact CG2-CB 4Å; T135-M167 HydrophobicContact CG2-CG 3.77Å; T135-M167 HydrophobicContact CG2-SD 4.17Å; F160-M167 HydrophobicContact CB-CB 4.1Å; F160-M167 HydrophobicContact CD1-CE 4.13Å; F160-M167 HydrophobicContact CD2-CB 3.86Å; F160-M167 HydrophobicContact CD2-SD 4.22Å; F160-M167 HydrophobicContact CE1-CE 4.15Å; F160-M167 HydrophobicContact CE2-SD 4.03Å; F160-M167 HydrophobicContact CG-CB 4.04Å; F160-M167 HydrophobicContact CG-CE 4.36Å; F160-M167 HydrophobicContact CZ-CE 4.39Å; F160-M167 HydrophobicContact CZ-SD 4.19Å; Y163-M167 HydrophobicContact CD1-CE 3.92Å; Y163-M167 HydrophobicContact CD2-CE 3.3Å; Y163-M167 HydrophobicContact CE1-CE 4.26Å; Y163-M167 HydrophobicContact CE2-CE 3.71Å; Y163-M167 HydrophobicContact CG-CE 3.39Å; Y163-M167 PolarHBondContact O-N 3.09Å; M167-L169 PolarHBondContact O-N 3.43Å
168M98.4Very high97.9Very high32 Ų3243.7 Ų43.716%0.15821%0.21CC..BIsolated β-bridgetrans-64126.1-174.6-175171.4175.200111.7F160 M161 A162 Y163 K164 E196F160-M168 WeakPolarHBondContact O-CA 3.37Å; M161-M168 WeakPolarHBondContact O-CE 3.45Å; A162-M168 WeakPolarHBondContact O-CA 3.47Å; A162-M168 VanDerWaalsContact O-CB 3.29Å; A162-M168 WeakPolarHBondContact O-CB 3.47Å; A162-M168 PolarHBondContact O-N 3.31Å; Y163-M168 PolarHBondContact O-N 3.3Å; K164-M168 HydrophobicContact CB-SD 4.13Å; K164-M168 HydrophobicContact CG-SD 4.49Å; M168-E196 HydrophobicContact CE-CG 4.07Å
169L98.6Very high97.8Very high3 Ų346.8 Ų46.82%0.01623%0.225CC..PPolyproline II helixtrans-94.7136.6166.9-61-175.5000110.3V134 M159 F160 M167 E173V134-L169 HydrophobicContact CG1-CD1 4.27Å; M159-L169 HydrophobicContact CB-CD1 4.08Å; M159-L169 HydrophobicContact CG-CD1 3.7Å; F160-L169 PolarHBondContact O-N 2.89Å; M167-L169 PolarHBondContact O-N 3.43Å; L169-E173 HydrophobicContact CB-CB 4.16Å; L169-E173 HydrophobicContact CD2-CB 4.32Å
170R98.6Very high97.8Very high157 Ų15747.1 Ų47.159%0.59223%0.226SC*.PPolyproline II helixtrans-74.5161.5170-60.8172.3-65.3169.5-0.3110.1S172 E173 L174R170-S172 PolarHBondContact O-N 3.4Å; R170-S172 VanDerWaalsContact O-N 3.11Å; R170-E173 WeakPolarHBondContact CB-OE2 3.41Å; R170-E173 IonicContact CZ-OE1 3.49Å; R170-E173 PolarHBondContact N-OE2 3.36Å; R170-E173 IonicContact NE-OE1 3.81Å; R170-E173 PolarHBondContact NE-OE1 2.91Å; R170-E173 IonicContact NE-OE2 3.62Å; R170-E173 PolarHBondContact NE-OE2 3.22Å; R170-E173 IonicContact NH2-OE1 2.75Å; R170-E173 PolarHBondContact NH2-OE1 3.08Å; R170-E173 WeakPolarHBondContact O-CA 3.44Å; R170-E173 WeakPolarHBondContact O-CB 3.45Å; R170-E173 PolarHBondContact O-N 2.99Å; R170-L174 PolarHBondContact O-N 3.27Å
171D98.9Very high97.8Very high70 Ų7046.5 Ų46.537%0.37422%0.224SC..Hα-helixtrans-53.1-39.3-176.8-73.1-0.8000114Y175 R231 I235D171-Y175 WeakPolarHBondContact O-CB 3.33Å; D171-Y175 PolarHBondContact O-N 2.86Å; D171-R231 IonicContact OD1-CZ 2.71Å; D171-R231 IonicContact OD1-NH1 3.47Å; D171-R231 PolarHBondContact OD1-NH1 2.92Å; D171-R231 WeakPolarHBondContact OD2-CD 3.35Å; D171-R231 IonicContact OD2-NH1 3.27Å; D171-I235 HydrophobicContact CB-CD1 4.08Å
172S98.6Very high97.8Very high67 Ų6748.5 Ų48.547%0.46923%0.232SC..Hα-helixtrans-66-38177.5550000112.7R170 Q176R170-S172 PolarHBondContact O-N 3.4Å; R170-S172 VanDerWaalsContact O-N 3.11Å; S172-Q176 VanDerWaalsContact O-CG 3.31Å; S172-Q176 WeakPolarHBondContact O-CG 3.32Å; S172-Q176 PolarHBondContact O-N 2.9Å
173E98.7Very high97.8Very high35 Ų3552.8 Ų52.816%0.16426%0.255CS..Hα-helixtrans-72.5-46.2178.2-66.4160.7158.900109.4W137 L169 R170 Y175 Q176 T177W137-E173 HydrophobicContact CB-CB 3.91Å; W137-E173 HydrophobicContact CB-CG 3.96Å; W137-E173 HydrophobicContact CG-CB 4.24Å; W137-E173 HydrophobicContact CG-CG 4.41Å; L169-E173 HydrophobicContact CB-CB 4.16Å; L169-E173 HydrophobicContact CD2-CB 4.32Å; R170-E173 WeakPolarHBondContact CB-OE2 3.41Å; R170-E173 IonicContact CZ-OE1 3.49Å; R170-E173 PolarHBondContact N-OE2 3.36Å; R170-E173 IonicContact NE-OE1 3.81Å; R170-E173 PolarHBondContact NE-OE1 2.91Å; R170-E173 IonicContact NE-OE2 3.62Å; R170-E173 PolarHBondContact NE-OE2 3.22Å; R170-E173 IonicContact NH2-OE1 2.75Å; R170-E173 PolarHBondContact NH2-OE1 3.08Å; R170-E173 WeakPolarHBondContact O-CA 3.44Å; R170-E173 WeakPolarHBondContact O-CB 3.45Å; R170-E173 PolarHBondContact O-N 2.99Å; E173-Y175 VanDerWaalsContact C-N 3.32Å; E173-Y175 PolarHBondContact O-N 3.29Å; E173-Q176 PolarHBondContact O-N 3.25Å; E173-Q176 VanDerWaalsContact O-N 3.14Å; E173-T177 PolarHBondContact O-N 3.5Å; E173-T177 PolarHBondContact O-OG1 3.29Å
174L98.9Very high97.9Very high1 Ų151.8 Ų51.81%0.00525%0.252CS..Hα-helixtrans-56.8-45.5174.4-176.860.7000111.3M159 M161 R170 Q176 T177 L178 V190 I235M159-L174 HydrophobicContact CB-CD1 4.02Å; M159-L174 HydrophobicContact CE-CD1 4.44Å; M159-L174 HydrophobicContact CG-CD1 4.2Å; M161-L174 HydrophobicContact CG-CD2 4.21Å; M161-L174 HydrophobicContact SD-CD2 4.14Å; R170-L174 PolarHBondContact O-N 3.27Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; L174-Q176 PolarHBondContact O-N 3.06Å; L174-T177 PolarHBondContact O-N 3.47Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CD2 4.48Å; L174-L178 HydrophobicContact CD1-CG 4.06Å; L174-L178 HydrophobicContact CG-CD1 3.89Å; L174-L178 HydrophobicContact CG-CG 4.3Å; L174-L178 WeakPolarHBondContact O-CB 2.91Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 3.49Å; L174-V190 HydrophobicContact CD1-CG2 4.38Å; L174-I235 HydrophobicContact CD2-CD1 3.96Å; L174-I235 HydrophobicContact CG-CG2 4.48Å
175Y98.9Very high98Very high85 Ų8548.9 Ų48.933%0.33324%0.239SC..Hα-helixtrans-57-47176179.6-99.3000112.1D171 E173 L178 Q179 I235 R238 A239D171-Y175 WeakPolarHBondContact O-CB 3.33Å; D171-Y175 PolarHBondContact O-N 2.86Å; E173-Y175 VanDerWaalsContact C-N 3.32Å; E173-Y175 PolarHBondContact O-N 3.29Å; Y175-L178 PolarHBondContact O-N 3.41Å; Y175-Q179 HydrophobicContact CD1-CG 4.45Å; Y175-Q179 HydrophobicContact CE1-CG 4.07Å; Y175-Q179 WeakPolarHBondContact O-CG 3.42Å; Y175-Q179 PolarHBondContact O-N 3.15Å; Y175-Q179 PolarHBondContact OH-NE2 3.45Å; Y175-I235 HydrophobicContact CD2-CG2 3.98Å; Y175-I235 HydrophobicContact CG-CG2 4.42Å; Y175-R238 HydrophobicContact CE2-CB 4.12Å; Y175-A239 HydrophobicContact CD2-CB 4.04Å; Y175-A239 HydrophobicContact CE2-CB 3.94Å
176Q98.8Very high98.2Very high92 Ų9242.5 Ų42.543%0.4321%0.205SC..Hα-helixtrans-67-43.4179.7-70177.110.500112W137 S172 E173 L174 L178 Q179 T180W137-Q176 VanDerWaalsContact CD1-OE1 3.26Å; W137-Q176 HydrophobicContact CZ2-CB 3.8Å; W137-Q176 VanDerWaalsContact NE1-CB 3.29Å; S172-Q176 VanDerWaalsContact O-CG 3.31Å; S172-Q176 WeakPolarHBondContact O-CG 3.32Å; S172-Q176 PolarHBondContact O-N 2.9Å; E173-Q176 PolarHBondContact O-N 3.25Å; E173-Q176 VanDerWaalsContact O-N 3.14Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; L174-Q176 PolarHBondContact O-N 3.06Å; Q176-L178 VanDerWaalsContact C-N 3.31Å; Q176-L178 PolarHBondContact O-N 3.2Å; Q176-Q179 WeakPolarHBondContact O-CB 3.27Å; Q176-Q179 PolarHBondContact O-N 3.44Å; Q176-T180 PolarHBondContact O-N 2.86Å; Q176-T180 PolarHBondContact O-OG1 2.77Å
177T98.6Very high98.5Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-59.7-42.3174.7-54.80000111.4V134 W137 M145 M159 E173 L174 T180 C181V134-T177 HydrophobicContact CB-CG2 4.34Å; V134-T177 HydrophobicContact CG1-CG2 3.96Å; V134-T177 HydrophobicContact CG2-CG2 4.34Å; W137-T177 HydrophobicContact CE3-CG2 4.38Å; W137-T177 HydrophobicContact CZ3-CG2 4.08Å; W137-T177 WeakPolarHBondContact CZ3-OG1 3.34Å; M145-T177 HydrophobicContact CE-CG2 4.14Å; M145-T177 HydrophobicContact SD-CG2 4.41Å; M159-T177 HydrophobicContact CE-CG2 4.34Å; M159-T177 HydrophobicContact CG-CG2 3.85Å; M159-T177 HydrophobicContact SD-CG2 3.74Å; E173-T177 PolarHBondContact O-N 3.5Å; E173-T177 PolarHBondContact O-OG1 3.29Å; L174-T177 PolarHBondContact O-N 3.47Å; T177-T180 PolarHBondContact O-N 3.18Å; T177-C181 PolarHBondContact O-N 3.23Å; T177-C181 PolarHBondContact O-SG 3.45Å
178L98.8Very high98.6Very high0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-66.8-37.1177.8-68.9175.7000112.5M159 L174 Y175 Q176 C181 K182 A188 I235 A236 A239 C241M159-L178 HydrophobicContact CE-CD2 3.76Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CD2 4.48Å; L174-L178 HydrophobicContact CD1-CG 4.06Å; L174-L178 HydrophobicContact CG-CD1 3.89Å; L174-L178 HydrophobicContact CG-CG 4.3Å; L174-L178 WeakPolarHBondContact O-CB 2.91Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 3.49Å; Y175-L178 PolarHBondContact O-N 3.41Å; Q176-L178 VanDerWaalsContact C-N 3.31Å; Q176-L178 PolarHBondContact O-N 3.2Å; L178-C181 PolarHBondContact O-N 3.3Å; L178-K182 WeakPolarHBondContact O-CB 3.36Å; L178-K182 PolarHBondContact O-N 3.32Å; L178-A188 HydrophobicContact CD2-CB 3.15Å; L178-I235 HydrophobicContact CD1-CB 4.38Å; L178-I235 HydrophobicContact CD1-CG2 3.79Å; L178-A236 HydrophobicContact CD1-CB 4.04Å; L178-A239 HydrophobicContact CB-CB 3.88Å; L178-C241 HydrophobicContact CB-CB 4.09Å; L178-C241 WeakPolarHBondContact O-CB 3.27Å; L178-C241 PolarHBondContact O-SG 2.86Å
179Q98.6Very high98.6Very high71 Ų7135 Ų3533%0.33217%0.166SC..Hα-helixtrans-62.1-44.4171-72.1-175-60.200111.1Y175 Q176 K182 D183 A239Y175-Q179 HydrophobicContact CD1-CG 4.45Å; Y175-Q179 HydrophobicContact CE1-CG 4.07Å; Y175-Q179 WeakPolarHBondContact O-CG 3.42Å; Y175-Q179 PolarHBondContact O-N 3.15Å; Y175-Q179 PolarHBondContact OH-NE2 3.45Å; Q176-Q179 WeakPolarHBondContact O-CB 3.27Å; Q176-Q179 PolarHBondContact O-N 3.44Å; Q179-K182 WeakPolarHBondContact O-CB 3.34Å; Q179-K182 PolarHBondContact O-N 2.93Å; Q179-D183 PolarHBondContact O-N 3.13Å; Q179-A239 HydrophobicContact CG-CB 4Å
180T98.8Very high98.7Very high6 Ų634.8 Ų34.84%0.03717%0.166CC..Hα-helixtrans-61.6-45.9175.7-65.60000111.9W137 R142 M145 Q176 T177 K182 D183 I184W137-T180 HydrophobicContact CH2-CG2 4.2Å; W137-T180 WeakPolarHBondContact CH2-OG1 3.43Å; R142-T180 HydrophobicContact CG-CG2 4.02Å; M145-T180 HydrophobicContact CB-CG2 4.4Å; M145-T180 HydrophobicContact CE-CG2 3.88Å; M145-T180 HydrophobicContact SD-CG2 4.04Å; Q176-T180 PolarHBondContact O-N 2.86Å; Q176-T180 PolarHBondContact O-OG1 2.77Å; T177-T180 PolarHBondContact O-N 3.18Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 3.34Å; T180-D183 PolarHBondContact O-N 2.94Å; T180-D183 VanDerWaalsContact O-N 3.15Å; T180-I184 HydrophobicContact CG2-CD1 4.19Å; T180-I184 VanDerWaalsContact O-CG1 3.27Å; T180-I184 WeakPolarHBondContact O-CG1 3.29Å; T180-I184 PolarHBondContact O-N 3.49Å
181C98.8Very high98.7Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-55.2-43.1173.6-75.20000111.9T177 L178 G185 A186 A188 Y472T177-C181 PolarHBondContact O-N 3.23Å; T177-C181 PolarHBondContact O-SG 3.45Å; L178-C181 PolarHBondContact O-N 3.3Å; C181-G185 CarbonylContact O-C 3.48Å; C181-G185 PolarHBondContact O-N 2.95Å; C181-A186 HydrophobicContact CB-CB 4.42Å; C181-A186 PolarHBondContact O-N 2.85Å; C181-A188 HydrophobicContact CB-CB 4.35Å; C181-Y472 PolarHBondContact O-OH 3Å
182K98.1Very high98.7Very high43 Ų4324.5 Ų24.519%0.18712%0.122CC..Hα-helixtrans-62.2-45.7176.4175.9-92.7-176.6172.80112.2L178 Q179 T180 I184 G185 R240 C241 E479L178-K182 WeakPolarHBondContact O-CB 3.36Å; L178-K182 PolarHBondContact O-N 3.32Å; Q179-K182 WeakPolarHBondContact O-CB 3.34Å; Q179-K182 PolarHBondContact O-N 2.93Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 3.34Å; K182-I184 VanDerWaalsContact C-N 3.35Å; K182-I184 PolarHBondContact O-N 3.16Å; K182-G185 PolarHBondContact O-N 3.29Å; K182-R240 VanDerWaalsContact CG-O 3.31Å; K182-R240 WeakPolarHBondContact CG-O 3.31Å; K182-C241 HydrophobicContact CB-CB 4.07Å; K182-E479 WeakPolarHBondContact CE-OE2 3.49Å; K182-E479 IonicContact NZ-OE1 3.99Å; K182-E479 PolarHBondContact NZ-OE1 2.92Å; K182-E479 IonicContact NZ-OE2 3.77Å; K182-E479 PolarHBondContact NZ-OE2 3.17Å
183D98.2Very high98.7Very high90 Ų9021.3 Ų21.348%0.48110%0.1SC..Hα-helixtrans-67.8-35.3-176.1-71.5-17.5000112.4Q179 T180Q179-D183 PolarHBondContact O-N 3.13Å; T180-D183 PolarHBondContact O-N 2.94Å; T180-D183 VanDerWaalsContact O-N 3.15Å
184I98.5Very high98.7Very high13 Ų1320.6 Ų20.67%0.06710%0.098CC..Hα-helixtrans-90.2-1.9177.972.2-167000113.2M145 E146 V149 F157 T180 K182 A186 T466M145-I184 HydrophobicContact CB-CD1 4.1Å; M145-I184 HydrophobicContact CE-CD1 4.16Å; E146-I184 HydrophobicContact CG-CG2 3.63Å; V149-I184 HydrophobicContact CG1-CB 4.34Å; V149-I184 HydrophobicContact CG2-CB 4.33Å; V149-I184 HydrophobicContact CG2-CD1 3.8Å; V149-I184 HydrophobicContact CG2-CG1 3.97Å; F157-I184 HydrophobicContact CD2-CD1 4.42Å; F157-I184 HydrophobicContact CE2-CD1 3.64Å; F157-I184 HydrophobicContact CZ-CD1 4.26Å; T180-I184 HydrophobicContact CG2-CD1 4.19Å; T180-I184 VanDerWaalsContact O-CG1 3.27Å; T180-I184 WeakPolarHBondContact O-CG1 3.29Å; T180-I184 PolarHBondContact O-N 3.49Å; K182-I184 VanDerWaalsContact C-N 3.35Å; K182-I184 PolarHBondContact O-N 3.16Å; I184-A186 HydrophobicContact CD1-CB 4Å; I184-A186 HydrophobicContact CG1-CB 3.69Å; I184-T466 VanDerWaalsContact O-CB 3.31Å; I184-T466 WeakPolarHBondContact O-CB 3.25Å; I184-T466 WeakPolarHBondContact O-CG2 3.41Å
185G98.3Very high98.7Very high0 Ų020.7 Ų20.70%010%0.098CC..THydrogen-bonded Turntrans72.125.4179.400000114.5C181 K182 T466 F467 Y472C181-G185 CarbonylContact O-C 3.48Å; C181-G185 PolarHBondContact O-N 2.95Å; K182-G185 PolarHBondContact O-N 3.29Å; G185-T466 WeakPolarHBondContact O-CB 3.26Å; G185-F467 VanDerWaalsContact CA-CZ 3.49Å; G185-F467 PolarHBondContact O-N 2.89Å; G185-Y472 WeakPolarHBondContact O-CE2 3.42Å
186A98.7Very high98.7Very high0 Ų020.7 Ų20.70%010%0.101CC..  trans-91168.718000000112.8V149 N155 F157 C181 I184 Y472V149-A186 HydrophobicContact CG2-CB 4.39Å; N155-A186 CarbonylContact O-C 3.52Å; N155-A186 WeakPolarHBondContact O-CA 3.42Å; N155-A186 WeakPolarHBondContact O-CB 3.39Å; F157-A186 HydrophobicContact CD2-CB 3.7Å; F157-A186 HydrophobicContact CE2-CB 3.66Å; C181-A186 HydrophobicContact CB-CB 4.42Å; C181-A186 PolarHBondContact O-N 2.85Å; I184-A186 HydrophobicContact CD1-CB 4Å; I184-A186 HydrophobicContact CG1-CB 3.69Å; A186-Y472 PolarHBondContact N-OH 3.31Å; A186-Y472 PolarHBondContact O-OH 3.04Å
187I98.6Very high98.7Very high1 Ų120.6 Ų20.61%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-99.9126.3179.6-54.1158.7000108.2N155 S156 F157 R189 I384 Y385 P468 L471N155-I187 PolarHBondContact O-N 2.95Å; S156-I187 WeakPolarHBondContact CA-O 3.4Å; F157-I187 PolarHBondContact N-O 2.92Å; I187-R189 PolarHBondContact O-N 3.24Å; I187-I384 HydrophobicContact CD1-CG2 4.15Å; I187-I384 WeakPolarHBondContact CD1-O 3.44Å; I187-Y385 HydrophobicContact CD1-CD1 3.36Å; I187-Y385 HydrophobicContact CD1-CE1 3.54Å; I187-Y385 HydrophobicContact CD1-CG 4.23Å; I187-Y385 HydrophobicContact CG2-CE1 4.48Å; I187-P468 HydrophobicContact CD1-CG 4.37Å; I187-P468 HydrophobicContact CG1-CG 4.27Å; I187-L471 HydrophobicContact CD1-CD1 4.28Å; I187-L471 HydrophobicContact CG1-CD1 3.77Å; I187-L471 HydrophobicContact CG2-CD1 4.39Å
188A98.8Very high98.7Very high0 Ų021.2 Ų21.20%011%0.107CC..EExtended strand (participates in β ladder)trans-90.7101.3176.700000111.1M159 L178 C181 Y244M159-A188 HydrophobicContact CE-CB 3.52Å; L178-A188 HydrophobicContact CD2-CB 3.15Å; C181-A188 HydrophobicContact CB-CB 4.35Å; A188-Y244 PolarHBondContact O-N 3.27Å
189R98.9Very high98.7Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-84.2132.8171.3-61176.759.497.50.8109.6T65 F157 Q158 M159 I187 Y244 V246 E270 Y385T65-R189 PolarHBondContact O-NH1 2.8Å; F157-R189 WeakPolarHBondContact O-CA 3.46Å; F157-R189 WeakPolarHBondContact O-CB 3.49Å; F157-R189 PolarHBondContact O-N 2.61Å; Q158-R189 CarbonylContact C-O 3.56Å; Q158-R189 WeakPolarHBondContact CA-O 3.3Å; Q158-R189 HydrophobicContact CB-CB 4.4Å; Q158-R189 VanDerWaalsContact OE1-CB 3.26Å; M159-R189 PolarHBondContact N-O 3.05Å; I187-R189 PolarHBondContact O-N 3.24Å; R189-Y244 CarbonylContact C-O 3.59Å; R189-Y244 VanDerWaalsContact CA-O 3.25Å; R189-Y244 WeakPolarHBondContact CA-O 3.46Å; R189-Y244 HydrophobicContact CG-CD1 4.05Å; R189-Y244 HydrophobicContact CG-CG 4.43Å; R189-V246 HydrophobicContact CB-CG1 3.93Å; R189-V246 HydrophobicContact CG-CG1 4.38Å; R189-E270 IonicContact CZ-OE1 2.71Å; R189-E270 IonicContact NH1-OE1 3.47Å; R189-E270 IonicContact NH1-OE2 3.25Å; R189-E270 IonicContact NH2-OE1 3.48Å; R189-E270 PolarHBondContact NH2-OE1 3.43Å; R189-Y385 PolarHBondContact NH1-OH 3.28Å
190V98.9Very high98.7Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-133.3122.1-177.6-1770000111M159 M161 L174 A192 A232 I243 Y244 L245 V246M159-V190 HydrophobicContact CB-CG2 4.45Å; M159-V190 HydrophobicContact CE-CG2 3.98Å; M159-V190 WeakPolarHBondContact O-CA 3.19Å; M161-V190 HydrophobicContact CG-CG1 3.9Å; M161-V190 HydrophobicContact SD-CG1 3.79Å; L174-V190 HydrophobicContact CD1-CG2 4.38Å; V190-A192 HydrophobicContact CG1-CB 4.38Å; V190-A232 HydrophobicContact CG1-CB 4.17Å; V190-I243 HydrophobicContact CB-CD1 4.25Å; V190-I243 HydrophobicContact CG2-CD1 3.76Å; V190-I243 HydrophobicContact CG2-CG1 3.99Å; V190-Y244 PolarHBondContact N-O 2.79Å; V190-L245 HydrophobicContact CB-CD1 4.46Å; V190-V246 PolarHBondContact O-N 2.74Å
191H98.9Very high98.7Very high6 Ų624.8 Ų24.83%0.02813%0.134CC..EExtended strand (participates in β ladder)trans-80.5109.9164.8-179.5101.3000108.1Q158 M159 F160 M161 E193 V246Q158-H191 VanDerWaalsContact NE2-N 3.14Å; M159-H191 PolarHBondContact O-N 3.11Å; F160-H191 HydrophobicContact CD1-CB 3.59Å; F160-H191 AromaticContact CD1-CG 3.98Å; F160-H191 HydrophobicContact CE1-CB 4.1Å; F160-H191 HydrophobicContact CG-CB 4.37Å; M161-H191 PolarHBondContact N-O 3.25Å; H191-E193 IonicContact CD2-OE2 2.62Å; H191-E193 IonicContact CE1-OE2 3.41Å; H191-E193 PolarHBondContact CE1-OE2 3.09Å; H191-E193 IonicContact NE2-OE2 3.69Å; H191-E193 PolarHBondContact NE2-OE2 3.04Å; H191-V246 HydrophobicContact CB-CG2 4.1Å
192A98.8Very high98.7Very high4 Ų425.4 Ų25.43%0.03314%0.139CC..  trans-110.984.3-166.300000112.1M161 V190 E225 A228 L245M161-A192 HydrophobicContact SD-CB 4.22Å; V190-A192 HydrophobicContact CG1-CB 4.38Å; A192-E225 WeakPolarHBondContact O-CA 3.3Å; A192-E225 WeakPolarHBondContact O-CG 3.47Å; A192-A228 VanDerWaalsContact C-CB 3.46Å; A192-A228 HydrophobicContact CB-CB 4.09Å; A192-L245 HydrophobicContact CB-CD1 4Å
193E98.8Very high98.7Very high0 Ų028.9 Ų28.90%015%0.154CC..SBendtrans-127.9151.2160.6-60.5171.1102.200107.9M161 A162 H191 G195 V198 R220 E225 P298M161-E193 CarbonylContact C-O 3.58Å; M161-E193 WeakPolarHBondContact CB-O 3.46Å; A162-E193 HydrophobicContact CB-CB 4.08Å; H191-E193 IonicContact CD2-OE2 2.62Å; H191-E193 IonicContact CE1-OE2 3.41Å; H191-E193 PolarHBondContact CE1-OE2 3.09Å; H191-E193 IonicContact NE2-OE2 3.69Å; H191-E193 PolarHBondContact NE2-OE2 3.04Å; E193-G195 PolarHBondContact O-N 2.89Å; E193-G195 VanDerWaalsContact O-N 3.08Å; E193-V198 HydrophobicContact CB-CG2 4.14Å; E193-R220 IonicContact OE1-NH1 2.93Å; E193-R220 PolarHBondContact OE1-NH1 3.32Å; E193-R220 IonicContact OE2-NH1 3.36Å; E193-R220 PolarHBondContact OE2-NH1 2.92Å; E193-E225 HydrophobicContact CG-CB 4.46Å; E193-P298 HydrophobicContact CG-CB 4.03Å; E193-P298 HydrophobicContact CG-CG 3.8Å; E193-P298 WeakPolarHBondContact OE1-CA 3.5Å
194N98.9Very high98.7Very high21 Ų2130.6 Ų30.611%0.11216%0.159CC..  trans-73.998.7176.5-172.8-46000111E196 L197 V198 L224 E227 R231N194-E196 VanDerWaalsContact C-N 3.3Å; N194-E196 PolarHBondContact O-N 3.47Å; N194-E196 PolarHBondContact OD1-N 3.47Å; N194-L197 HydrophobicContact CB-CB 4.28Å; N194-L197 HydrophobicContact CB-CD1 4.29Å; N194-L197 HydrophobicContact CB-CG 4.44Å; N194-L197 PolarHBondContact O-N 2.87Å; N194-L197 PolarHBondContact OD1-N 3.49Å; N194-V198 WeakPolarHBondContact O-CG2 3.38Å; N194-V198 PolarHBondContact O-N 2.83Å; N194-L224 HydrophobicContact CB-CB 4.36Å; N194-L224 HydrophobicContact CB-CG 4.19Å; N194-L224 PolarHBondContact N-O 2.82Å; N194-L224 VanDerWaalsContact N-O 3.09Å; N194-E227 WeakPolarHBondContact CB-OE2 3.44Å; N194-E227 PolarHBondContact ND2-OE2 3.42Å; N194-R231 PolarHBondContact ND2-NH2 3.3Å
195G98.6Very high98.7Very high2 Ų230 Ų302%0.02116%0.157CC..Hα-helixtrans-62.4-28.1-173.100000116.4M161 E193 A199M161-G195 WeakPolarHBondContact O-CA 3.35Å; M161-G195 PolarHBondContact O-N 3.26Å; E193-G195 PolarHBondContact O-N 2.89Å; E193-G195 VanDerWaalsContact O-N 3.08Å; G195-A199 WeakPolarHBondContact O-CB 3.48Å; G195-A199 PolarHBondContact O-N 3.26Å; G195-A199 VanDerWaalsContact O-N 3.16Å
196E98.8Very high98.8Very high85 Ų8532.7 Ų32.740%0.39717%0.171SC..Hα-helixtrans-69-47.8174.9-68-65.6166.500110.4K164 M168 N194 A199 E200K164-E196 WeakPolarHBondContact CD-OE2 3.28Å; K164-E196 WeakPolarHBondContact CE-OE2 3.41Å; K164-E196 IonicContact NZ-OE1 3.24Å; K164-E196 IonicContact NZ-OE2 3.97Å; K164-E196 PolarHBondContact NZ-OE2 2.87Å; M168-E196 HydrophobicContact CE-CG 4.07Å; N194-E196 VanDerWaalsContact C-N 3.3Å; N194-E196 PolarHBondContact O-N 3.47Å; N194-E196 PolarHBondContact OD1-N 3.47Å; E196-A199 PolarHBondContact O-N 3Å; E196-E200 PolarHBondContact O-N 2.84Å; E196-E200 VanDerWaalsContact O-N 3.1Å
197L98.8Very high98.8Very high90 Ų9038.7 Ų38.747%0.47120%0.203SC..Hα-helixtrans-70.5-32.9179.1-63.8-179.9000112.4N194 A199 E200 G201 L224N194-L197 HydrophobicContact CB-CB 4.28Å; N194-L197 HydrophobicContact CB-CD1 4.29Å; N194-L197 HydrophobicContact CB-CG 4.44Å; N194-L197 PolarHBondContact O-N 2.87Å; N194-L197 PolarHBondContact OD1-N 3.49Å; L197-A199 VanDerWaalsContact C-N 3.3Å; L197-A199 PolarHBondContact O-N 3.21Å; L197-E200 PolarHBondContact O-N 3.05Å; L197-G201 PolarHBondContact O-N 3.28Å; L197-L224 HydrophobicContact CB-CD1 4.23Å; L197-L224 HydrophobicContact CB-CD2 3.46Å; L197-L224 VanDerWaalsContact CB-CD2 3.46Å; L197-L224 HydrophobicContact CB-CG 3.76Å; L197-L224 HydrophobicContact CD1-CD1 4.13Å; L197-L224 HydrophobicContact CD1-CG 4.14Å
198V98.8Very high98.8Very high13 Ų1344.6 Ų44.68%0.07923%0.234CC..Hα-helixtrans-60.7-41.5171.3171.20000110.6E193 N194 A202 R220 L224E193-V198 HydrophobicContact CB-CG2 4.14Å; N194-V198 WeakPolarHBondContact O-CG2 3.38Å; N194-V198 PolarHBondContact O-N 2.83Å; V198-A202 VanDerWaalsContact O-CB 3.28Å; V198-A202 WeakPolarHBondContact O-CB 3.42Å; V198-A202 PolarHBondContact O-N 3.11Å; V198-R220 HydrophobicContact CG2-CB 3.96Å; V198-L224 HydrophobicContact CG2-CD2 3.8Å
199A98.7Very high98.8Very high37 Ų3747.5 Ų47.531%0.30626%0.263SS..Hα-helixtrans-67.2-45.4-179.800000112K164 G195 E196 L197 K203K164-A199 HydrophobicContact CB-CB 4.45Å; K164-A199 HydrophobicContact CD-CB 4.04Å; G195-A199 WeakPolarHBondContact O-CB 3.48Å; G195-A199 PolarHBondContact O-N 3.26Å; G195-A199 VanDerWaalsContact O-N 3.16Å; E196-A199 PolarHBondContact O-N 3Å; L197-A199 VanDerWaalsContact C-N 3.3Å; L197-A199 PolarHBondContact O-N 3.21Å; A199-K203 PolarHBondContact O-N 2.89Å; A199-K203 VanDerWaalsContact O-N 3.16Å
200E98.8Very high98.8Very high100 Ų10049.6 Ų49.647%0.46727%0.274SS..Hα-helixtrans-67.1-42.5176.5-65.8-58.2146.500111.8E196 L197 A202 K203 E204E196-E200 PolarHBondContact O-N 2.84Å; E196-E200 VanDerWaalsContact O-N 3.1Å; L197-E200 PolarHBondContact O-N 3.05Å; E200-A202 VanDerWaalsContact C-N 3.32Å; E200-A202 PolarHBondContact O-N 3.44Å; E200-K203 WeakPolarHBondContact O-CB 3.2Å; E200-K203 PolarHBondContact O-N 2.72Å; E200-E204 WeakPolarHBondContact O-CB 3.42Å; E200-E204 PolarHBondContact O-N 2.91Å
201G98.8Very high98.7Very high15 Ų1551.9 Ų51.916%0.15529%0.29CS..Hα-helixtrans-64.2-34.9177.600000113L197 A205 S219L197-G201 PolarHBondContact O-N 3.28Å; G201-A205 WeakPolarHBondContact O-CB 3.15Å; G201-A205 PolarHBondContact O-N 2.91Å; G201-S219 VanDerWaalsContact C-CB 3.47Å; G201-S219 WeakPolarHBondContact O-CB 3.49Å
202A98.7Very high98.7Very high14 Ų1452.1 Ų52.112%0.11630%0.295CS..Hα-helixtrans-67.7-42.917500000111.8V198 E200 L206 F341 T342V198-A202 VanDerWaalsContact O-CB 3.28Å; V198-A202 WeakPolarHBondContact O-CB 3.42Å; V198-A202 PolarHBondContact O-N 3.11Å; E200-A202 VanDerWaalsContact C-N 3.32Å; E200-A202 PolarHBondContact O-N 3.44Å; A202-L206 WeakPolarHBondContact O-CG 3.24Å; A202-L206 PolarHBondContact O-N 3.43Å; A202-L206 VanDerWaalsContact O-N 3.17Å; A202-F341 HydrophobicContact CB-CE2 4.49Å; A202-F341 HydrophobicContact CB-CZ 4.16Å; A202-T342 HydrophobicContact CB-CG2 4.02Å
203K98.8Very high98.7Very high115 Ų11552.1 Ų52.150%0.529%0.294SS..Hα-helixtrans-62.5-46.5174.6-179.4-172.9168.9-164.50111.4A199 E200 A205 L206 D207A199-K203 PolarHBondContact O-N 2.89Å; A199-K203 VanDerWaalsContact O-N 3.16Å; E200-K203 WeakPolarHBondContact O-CB 3.2Å; E200-K203 PolarHBondContact O-N 2.72Å; K203-A205 PolarHBondContact O-N 3.22Å; K203-L206 PolarHBondContact O-N 2.91Å; K203-D207 WeakPolarHBondContact O-CB 3.39Å; K203-D207 PolarHBondContact O-N 2.94Å
204E98.8Very high98.7Very high126 Ų12654.4 Ų54.459%0.58931%0.305SS*.Hα-helixtrans-60-45.8178.6-177.2175.8-174.400111.9E200 L206 D207 L208E200-E204 WeakPolarHBondContact O-CB 3.42Å; E200-E204 PolarHBondContact O-N 2.91Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.17Å; E204-D207 PolarHBondContact O-N 3.46Å; E204-L208 HydrophobicContact CG-CD1 4.24Å; E204-L208 WeakPolarHBondContact O-CG 3.46Å; E204-L208 PolarHBondContact O-N 3.33Å
205A98.8Very high98.7Very high2 Ų253.4 Ų53.42%0.01730%0.3CS..Hα-helixtrans-58.6-44.6176.500000111.9G201 K203 L208 G209 I210 F341G201-A205 WeakPolarHBondContact O-CB 3.15Å; G201-A205 PolarHBondContact O-N 2.91Å; K203-A205 PolarHBondContact O-N 3.22Å; A205-L208 PolarHBondContact O-N 2.84Å; A205-G209 PolarHBondContact O-N 2.79Å; A205-I210 HydrophobicContact CB-CB 4.39Å; A205-I210 WeakPolarHBondContact O-CA 3.29Å; A205-I210 VanDerWaalsContact O-CB 3.3Å; A205-I210 WeakPolarHBondContact O-CB 3.28Å; A205-I210 PolarHBondContact O-N 3.4Å; A205-F341 HydrophobicContact CB-CE1 3.98Å; A205-F341 HydrophobicContact CB-CZ 4.12Å
206L98.8Very high98.7Very high55 Ų5553.4 Ų53.429%0.28830%0.299SS..Hα-helixtrans-65.9-41.4176.6-70.1174.2000112.6A202 K203 E204 L208 G209 F341 T342A202-L206 WeakPolarHBondContact O-CG 3.24Å; A202-L206 PolarHBondContact O-N 3.43Å; A202-L206 VanDerWaalsContact O-N 3.17Å; K203-L206 PolarHBondContact O-N 2.91Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.17Å; L206-L208 PolarHBondContact O-N 3.47Å; L206-G209 WeakPolarHBondContact O-CA 3.29Å; L206-G209 PolarHBondContact O-N 3.21Å; L206-F341 HydrophobicContact CD2-CD1 4.02Å; L206-F341 HydrophobicContact CD2-CE1 3.91Å; L206-F341 HydrophobicContact CG-CE1 3.97Å; L206-T342 HydrophobicContact CD1-CG2 3.84Å; L206-T342 HydrophobicContact CG-CG2 4.48Å
207D98.7Very high98.7Very high127 Ų12750.5 Ų50.568%0.67929%0.285SS*.Hα-helixtrans-63-28.8177.1-75.3-17000111.8K203 E204 G209K203-D207 WeakPolarHBondContact O-CB 3.39Å; K203-D207 PolarHBondContact O-N 2.94Å; E204-D207 PolarHBondContact O-N 3.46Å; D207-G209 VanDerWaalsContact C-N 3.25Å; D207-G209 PolarHBondContact O-N 3.29Å
208L98.6Very high98.7Very high125 Ų12549.5 Ų49.565%0.65428%0.28SS*.THydrogen-bonded Turntrans-79.8-0.8171.8-68173000113.9E204 A205 L206 I210E204-L208 HydrophobicContact CG-CD1 4.24Å; E204-L208 WeakPolarHBondContact O-CG 3.46Å; E204-L208 PolarHBondContact O-N 3.33Å; A205-L208 PolarHBondContact O-N 2.84Å; L206-L208 PolarHBondContact O-N 3.47Å; L208-I210 HydrophobicContact CB-CD1 4.36Å; L208-I210 HydrophobicContact CB-CG1 4.34Å
209G98.6Very high98.7Very high60 Ų6049 Ų4962%0.61928%0.277SS*.THydrogen-bonded Turntrans80.613.2-178.400000114.4A205 L206 D207 S211A205-G209 PolarHBondContact O-N 2.79Å; L206-G209 WeakPolarHBondContact O-CA 3.29Å; L206-G209 PolarHBondContact O-N 3.21Å; D207-G209 VanDerWaalsContact C-N 3.25Å; D207-G209 PolarHBondContact O-N 3.29Å; G209-S211 PolarHBondContact O-N 3.19Å
210I98.8Very high98.7Very high44 Ų4448.1 Ų48.123%0.22627%0.266CS..  trans-87.593176.5-53.7172.1000108.2A205 L208 E214 I218A205-I210 HydrophobicContact CB-CB 4.39Å; A205-I210 WeakPolarHBondContact O-CA 3.29Å; A205-I210 VanDerWaalsContact O-CB 3.3Å; A205-I210 WeakPolarHBondContact O-CB 3.28Å; A205-I210 PolarHBondContact O-N 3.4Å; L208-I210 HydrophobicContact CB-CD1 4.36Å; L208-I210 HydrophobicContact CB-CG1 4.34Å; I210-E214 HydrophobicContact CG2-CG 4.05Å; I210-I218 HydrophobicContact CD1-CD1 4.2Å; I210-I218 HydrophobicContact CG2-CD1 4.11Å
211S98.5Very high98.7Very high48 Ų4845.6 Ų45.634%0.33626%0.258SS..  trans-107.7-6.8-178.164.40000114.2G209 E339 F341G209-S211 PolarHBondContact O-N 3.19Å; S211-E339 VanDerWaalsContact CB-O 3.32Å; S211-E339 WeakPolarHBondContact CB-O 3.49Å; S211-F341 PolarHBondContact O-N 3.31Å; S211-F341 VanDerWaalsContact O-N 3.12Å
212G98.8Very high98.7Very high12 Ų1247.5 Ų47.512%0.12426%0.263CS..SBendtrans-79.2169.8-179.900000113.2E214 G215 F341G212-E214 WeakPolarHBondContact CA-OE1 3.37Å; G212-E214 VanDerWaalsContact CA-OE2 3.23Å; G212-E214 WeakPolarHBondContact CA-OE2 3.43Å; G212-E214 PolarHBondContact N-OE1 3.19Å; G212-E214 PolarHBondContact O-N 3.01Å; G212-E214 VanDerWaalsContact O-N 3.11Å; G212-G215 PolarHBondContact O-N 3.32Å; G212-F341 VanDerWaalsContact O-CB 3.23Å; G212-F341 WeakPolarHBondContact O-CB 3.34Å
213P98.8Very high98.7Very high4 Ų453 Ų533%0.02629%0.286CS..THydrogen-bonded Turntrans-56.6-27.2-176.5-25.636.7000114.5G215 I216 W288 A291 A292 V295 I344P213-G215 PolarHBondContact O-N 3.01Å; P213-I216 WeakPolarHBondContact O-CB 3.43Å; P213-I216 WeakPolarHBondContact O-CG2 3.44Å; P213-I216 PolarHBondContact O-N 2.81Å; P213-W288 HydrophobicContact CG-CG 4.49Å; P213-A291 HydrophobicContact CB-CB 3.9Å; P213-A291 HydrophobicContact CG-CB 3.83Å; P213-A292 HydrophobicContact CG-CB 4.02Å; P213-V295 HydrophobicContact CB-CG2 4.02Å; P213-I344 HydrophobicContact CB-CD1 4.24Å; P213-I344 HydrophobicContact CG-CD1 4.01Å
214E98.8Very high98.7Very high48 Ų4848 Ų4822%0.22427%0.265CS..THydrogen-bonded Turntrans-55.5-2717271.9-70.4168.700113.5I210 G212 I216 E217 I218 Y284I210-E214 HydrophobicContact CG2-CG 4.05Å; G212-E214 WeakPolarHBondContact CA-OE1 3.37Å; G212-E214 VanDerWaalsContact CA-OE2 3.23Å; G212-E214 WeakPolarHBondContact CA-OE2 3.43Å; G212-E214 PolarHBondContact N-OE1 3.19Å; G212-E214 PolarHBondContact O-N 3.01Å; G212-E214 VanDerWaalsContact O-N 3.11Å; E214-I216 PolarHBondContact O-N 3.43Å; E214-I216 VanDerWaalsContact O-N 3.16Å; E214-E217 PolarHBondContact O-N 3.32Å; E214-I218 HydrophobicContact CB-CD1 4.45Å; E214-I218 HydrophobicContact CG-CD1 4.11Å; E214-I218 WeakPolarHBondContact O-CG1 3.4Å; E214-I218 PolarHBondContact O-N 2.93Å; E214-Y284 HydrophobicContact CB-CD1 4.09Å; E214-Y284 HydrophobicContact CB-CD2 4.44Å; E214-Y284 HydrophobicContact CB-CE1 3.82Å; E214-Y284 HydrophobicContact CB-CE2 4.16Å; E214-Y284 HydrophobicContact CB-CG 4.41Å; E214-Y284 HydrophobicContact CG-CE1 4.27Å
215G98.8Very high98.7Very high0 Ų042.2 Ų42.20%024%0.238CC..Hα-helixtrans-57-28.1172.600000113.1G212 P213 E217 S219 F341G212-G215 PolarHBondContact O-N 3.32Å; P213-G215 PolarHBondContact O-N 3.01Å; G215-E217 VanDerWaalsContact C-N 3.27Å; G215-E217 PolarHBondContact O-N 3.23Å; G215-S219 WeakPolarHBondContact O-CB 3.4Å; G215-S219 PolarHBondContact O-N 3.38Å; G215-S219 PolarHBondContact O-OG 2.97Å; G215-F341 VanDerWaalsContact O-CE2 3.32Å; G215-F341 WeakPolarHBondContact O-CE2 3.24Å; G215-F341 WeakPolarHBondContact O-CZ 3.26Å
216I98.6Very high98.7Very high1 Ų142.8 Ų42.81%0.00524%0.242CC..Hα-helixtrans-67.2-27.2176.7-157.166000112.6P213 E214 R220 Y283 V295 V297 P299 F341P213-I216 WeakPolarHBondContact O-CB 3.43Å; P213-I216 WeakPolarHBondContact O-CG2 3.44Å; P213-I216 PolarHBondContact O-N 2.81Å; E214-I216 PolarHBondContact O-N 3.43Å; E214-I216 VanDerWaalsContact O-N 3.16Å; I216-R220 WeakPolarHBondContact O-CD 3.47Å; I216-R220 WeakPolarHBondContact O-CG 3.46Å; I216-Y283 HydrophobicContact CG2-CD1 4.02Å; I216-Y283 HydrophobicContact CG2-CD2 4.36Å; I216-Y283 HydrophobicContact CG2-CE1 3.79Å; I216-Y283 HydrophobicContact CG2-CE2 4.13Å; I216-Y283 HydrophobicContact CG2-CG 4.32Å; I216-V295 HydrophobicContact CG1-CG1 4.16Å; I216-V295 HydrophobicContact CG2-CG2 4.36Å; I216-V297 HydrophobicContact CD1-CG1 4.11Å; I216-V297 HydrophobicContact CG1-CG1 4.28Å; I216-P299 HydrophobicContact CG2-CB 4.27Å; I216-F341 HydrophobicContact CB-CD2 4.23Å; I216-F341 HydrophobicContact CD1-CD2 4.16Å; I216-F341 HydrophobicContact CD1-CE2 4.36Å
217E98.6Very high98.7Very high24 Ų2443.5 Ų43.511%0.11224%0.244CC..Hα-helixtrans-88.7-43.6179.3-167.5-83.5162.400110.1E214 G215 S219 R220 Y283 P299 L302E214-E217 PolarHBondContact O-N 3.32Å; G215-E217 VanDerWaalsContact C-N 3.27Å; G215-E217 PolarHBondContact O-N 3.23Å; E217-S219 PolarHBondContact O-N 2.95Å; E217-R220 CarbonylContact O-C 3.43Å; E217-R220 PolarHBondContact O-N 3.02Å; E217-Y283 HydrophobicContact CB-CD2 3.82Å; E217-Y283 HydrophobicContact CB-CE2 4.16Å; E217-Y283 HydrophobicContact CG-CD2 4.26Å; E217-Y283 HydrophobicContact CG-CE2 4.45Å; E217-P299 HydrophobicContact CB-CB 4.44Å; E217-L302 HydrophobicContact CG-CG 4.24Å; E217-L302 VanDerWaalsContact OE2-CD1 3.26Å; E217-L302 WeakPolarHBondContact OE2-CD1 3.24Å
218I98.8Very high98.7Very high70 Ų7037.4 Ų37.436%0.35921%0.211SC..Hα-helixtrans-61.2-43.4178.8-64.9166.4000112I210 E214 R220I210-I218 HydrophobicContact CD1-CD1 4.2Å; I210-I218 HydrophobicContact CG2-CD1 4.11Å; E214-I218 HydrophobicContact CB-CD1 4.45Å; E214-I218 HydrophobicContact CG-CD1 4.11Å; E214-I218 WeakPolarHBondContact O-CG1 3.4Å; E214-I218 PolarHBondContact O-N 2.93Å; I218-R220 PolarHBondContact O-N 3.11Å
219S98.7Very high98.7Very high3 Ų331.6 Ų31.62%0.02118%0.181CC..THydrogen-bonded Turntrans-70.7-9.9-175.856.20000114.7G201 G215 E217 F341G201-S219 VanDerWaalsContact C-CB 3.47Å; G201-S219 WeakPolarHBondContact O-CB 3.49Å; G215-S219 WeakPolarHBondContact O-CB 3.4Å; G215-S219 PolarHBondContact O-N 3.38Å; G215-S219 PolarHBondContact O-OG 2.97Å; E217-S219 PolarHBondContact O-N 2.95Å; S219-F341 WeakPolarHBondContact OG-CE2 3.36Å
220R98.5Very high98.7Very high17 Ų1733.3 Ų33.36%0.06417%0.173CC..SBendtrans-15363.6-170.148.7170.684.2-157.815.6111.4E193 V198 I216 E217 I218 V297 P299 R301E193-R220 IonicContact OE1-NH1 2.93Å; E193-R220 PolarHBondContact OE1-NH1 3.32Å; E193-R220 IonicContact OE2-NH1 3.36Å; E193-R220 PolarHBondContact OE2-NH1 2.92Å; V198-R220 HydrophobicContact CG2-CB 3.96Å; I216-R220 WeakPolarHBondContact O-CD 3.47Å; I216-R220 WeakPolarHBondContact O-CG 3.46Å; E217-R220 CarbonylContact O-C 3.43Å; E217-R220 PolarHBondContact O-N 3.02Å; I218-R220 PolarHBondContact O-N 3.11Å; R220-V297 VanDerWaalsContact CZ-CG1 3.47Å; R220-V297 VanDerWaalsContact NH1-CB 3.27Å; R220-P299 HydrophobicContact CG-CG 3.97Å; R220-R301 PolarHBondContact O-NH1 3.4Å
221P98.6Very high98.7Very high47 Ų4733.3 Ų33.331%0.30517%0.17SC..  trans-60.6161.5179.627.8-35000111.3E223 L224P221-E223 HydrophobicContact CB-CG 4.22Å; P221-E223 HydrophobicContact CG-CG 3.9Å; P221-E223 PolarHBondContact O-N 2.84Å; P221-L224 HydrophobicContact CG-CD1 4.11Å; P221-L224 PolarHBondContact O-N 3.03Å
222E98.5Very high98.8Very high56 Ų5631 Ų3126%0.26215%0.154SC..Hα-helixtrans-59.7-21.2-172.151.6170.6-16200115L224 E225 S226 S250 L252E222-L224 VanDerWaalsContact C-N 3.27Å; E222-L224 PolarHBondContact O-N 3.42Å; E222-E225 WeakPolarHBondContact O-CB 3.34Å; E222-E225 PolarHBondContact O-N 3.01Å; E222-S226 WeakPolarHBondContact O-CB 3.2Å; E222-S226 PolarHBondContact O-N 3.3Å; E222-S250 VanDerWaalsContact CB-CB 3.43Å; E222-S250 VanDerWaalsContact OE2-CB 3.3Å; E222-S250 WeakPolarHBondContact OE2-CB 3.19Å; E222-L252 HydrophobicContact CB-CD1 4.46Å; E222-L252 HydrophobicContact CG-CD1 3.8Å; E222-L252 HydrophobicContact CG-CG 4.33Å; E222-L252 WeakPolarHBondContact OE1-CD1 3.48Å
223E98.8Very high98.8Very high128 Ų12830.6 Ų30.660%0.59815%0.148SC*.Hα-helixtrans-62-31.6173.854.2175.3-14800113.4P221 E225 S226 E227P221-E223 HydrophobicContact CB-CG 4.22Å; P221-E223 HydrophobicContact CG-CG 3.9Å; P221-E223 PolarHBondContact O-N 2.84Å; E223-E225 VanDerWaalsContact C-N 3.34Å; E223-S226 PolarHBondContact O-N 3.39Å; E223-E227 WeakPolarHBondContact O-CB 3.47Å; E223-E227 PolarHBondContact O-N 3.36Å
224L98.8Very high98.8Very high12 Ų1233 Ų336%0.06316%0.164CC..Hα-helixtrans-70.2-32.1175.8-88.262.4000111.9N194 L197 V198 P221 E222 A228N194-L224 HydrophobicContact CB-CB 4.36Å; N194-L224 HydrophobicContact CB-CG 4.19Å; N194-L224 PolarHBondContact N-O 2.82Å; N194-L224 VanDerWaalsContact N-O 3.09Å; L197-L224 HydrophobicContact CB-CD1 4.23Å; L197-L224 HydrophobicContact CB-CD2 3.46Å; L197-L224 VanDerWaalsContact CB-CD2 3.46Å; L197-L224 HydrophobicContact CB-CG 3.76Å; L197-L224 HydrophobicContact CD1-CD1 4.13Å; L197-L224 HydrophobicContact CD1-CG 4.14Å; V198-L224 HydrophobicContact CG2-CD2 3.8Å; P221-L224 HydrophobicContact CG-CD1 4.11Å; P221-L224 PolarHBondContact O-N 3.03Å; E222-L224 VanDerWaalsContact C-N 3.27Å; E222-L224 PolarHBondContact O-N 3.42Å; L224-A228 WeakPolarHBondContact O-CB 3.49Å; L224-A228 PolarHBondContact O-N 3.27Å
225E98.9Very high98.8Very high3 Ų331.7 Ų31.71%0.01416%0.158CC..Hα-helixtrans-73.4-43.3173.3-172.1-164.6173.700110.5A192 E193 E222 E223 A228 T229 V248 S249 S250 A253 P298 R301A192-E225 WeakPolarHBondContact O-CA 3.3Å; A192-E225 WeakPolarHBondContact O-CG 3.47Å; E193-E225 HydrophobicContact CG-CB 4.46Å; E222-E225 WeakPolarHBondContact O-CB 3.34Å; E222-E225 PolarHBondContact O-N 3.01Å; E223-E225 VanDerWaalsContact C-N 3.34Å; E225-A228 PolarHBondContact O-N 3.3Å; E225-T229 WeakPolarHBondContact O-CB 3.26Å; E225-T229 PolarHBondContact O-N 3.15Å; E225-T229 PolarHBondContact O-OG1 3.32Å; E225-V248 WeakPolarHBondContact OE1-CA 3.3Å; E225-S249 PolarHBondContact OE1-N 3.17Å; E225-S249 PolarHBondContact OE2-OG 2.8Å; E225-S250 VanDerWaalsContact CD-OG 3.3Å; E225-S250 WeakPolarHBondContact OE2-CB 3.36Å; E225-S250 PolarHBondContact OE2-N 2.91Å; E225-S250 PolarHBondContact OE2-OG 3.15Å; E225-A253 HydrophobicContact CG-CB 3.86Å; E225-A253 WeakPolarHBondContact OE1-CB 3.27Å; E225-P298 HydrophobicContact CG-CG 4.28Å; E225-R301 IonicContact OE2-CZ 3.57Å; E225-R301 IonicContact OE2-NE 3.36Å; E225-R301 IonicContact OE2-NH2 3.82Å; E225-R301 PolarHBondContact OE2-NH2 3.03Å
226S98.8Very high98.8Very high14 Ų1431.7 Ų31.710%0.09816%0.158CC..Hα-helixtrans-62.4-46.8179.1-175.10000112.4E222 E223 T229 H230 M256E222-S226 WeakPolarHBondContact O-CB 3.2Å; E222-S226 PolarHBondContact O-N 3.3Å; E223-S226 PolarHBondContact O-N 3.39Å; S226-T229 PolarHBondContact O-N 3.48Å; S226-H230 WeakPolarHBondContact O-CB 3.26Å; S226-H230 PolarHBondContact O-N 3.48Å; S226-M256 WeakPolarHBondContact OG-CG 3.41Å
227E98.9Very high98.7Very high70 Ų7034 Ų3433%0.32717%0.17SC..Hα-helixtrans-58.7-53176-174.6-76.6132.300111.1N194 E223 T229 H230 R231N194-E227 WeakPolarHBondContact CB-OE2 3.44Å; N194-E227 PolarHBondContact ND2-OE2 3.42Å; E223-E227 WeakPolarHBondContact O-CB 3.47Å; E223-E227 PolarHBondContact O-N 3.36Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 3.05Å; E227-H230 PolarHBondContact O-N 3.49Å; E227-R231 WeakPolarHBondContact O-CB 3.48Å; E227-R231 PolarHBondContact O-N 3.38Å; E227-R231 IonicContact OE1-CZ 2.72Å; E227-R231 IonicContact OE1-NE 3.82Å; E227-R231 PolarHBondContact OE1-NE 2.95Å; E227-R231 IonicContact OE1-NH2 2.67Å; E227-R231 IonicContact OE2-CZ 2.82Å; E227-R231 IonicContact OE2-NE 3.87Å; E227-R231 IonicContact OE2-NH2 3.73Å; E227-R231 PolarHBondContact OE2-NH2 3.29Å
228A98.9Very high98.7Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-64.4-37.7-178.500000111.9M161 A192 L224 E225 R231 A232M161-A228 HydrophobicContact CE-CB 3.8Å; M161-A228 WeakPolarHBondContact CE-O 3.48Å; M161-A228 HydrophobicContact SD-CB 4.1Å; A192-A228 VanDerWaalsContact C-CB 3.46Å; A192-A228 HydrophobicContact CB-CB 4.09Å; L224-A228 WeakPolarHBondContact O-CB 3.49Å; L224-A228 PolarHBondContact O-N 3.27Å; E225-A228 PolarHBondContact O-N 3.3Å; A228-R231 PolarHBondContact O-N 3.38Å; A228-A232 VanDerWaalsContact O-CB 3.26Å; A228-A232 WeakPolarHBondContact O-CB 3.34Å; A228-A232 PolarHBondContact O-N 3.03Å
229T98.9Very high98.6Very high2 Ų235.7 Ų35.71%0.01217%0.172CC..Hα-helixtrans-60.6-48174-66.90000110.8E225 S226 E227 R231 A232 I233 L245 M256 I257E225-T229 WeakPolarHBondContact O-CB 3.26Å; E225-T229 PolarHBondContact O-N 3.15Å; E225-T229 PolarHBondContact O-OG1 3.32Å; S226-T229 PolarHBondContact O-N 3.48Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 3.05Å; T229-R231 PolarHBondContact O-N 2.8Å; T229-A232 PolarHBondContact O-N 3.27Å; T229-I233 HydrophobicContact CG2-CD1 3.83Å; T229-I233 WeakPolarHBondContact O-CB 3.41Å; T229-I233 WeakPolarHBondContact O-CD1 3.46Å; T229-I233 VanDerWaalsContact O-CG1 3.22Å; T229-I233 WeakPolarHBondContact O-CG1 3.49Å; T229-I233 PolarHBondContact O-N 3.1Å; T229-L245 HydrophobicContact CG2-CD1 4.36Å; T229-L245 HydrophobicContact CG2-CG 4.25Å; T229-M256 HydrophobicContact CG2-CB 4.05Å; T229-I257 HydrophobicContact CG2-CD1 4.29Å; T229-I257 HydrophobicContact CG2-CG1 3.9Å
230H98.9Very high98.4Very high97 Ų9737.9 Ų37.945%0.44918%0.18SC..Hα-helixtrans-62.1-43.4177.2178.1-144.3000112.1S226 E227 T234 M256S226-H230 WeakPolarHBondContact O-CB 3.26Å; S226-H230 PolarHBondContact O-N 3.48Å; E227-H230 PolarHBondContact O-N 3.49Å; H230-T234 WeakPolarHBondContact O-CB 3.47Å; H230-T234 PolarHBondContact O-N 3.12Å; H230-T234 PolarHBondContact O-OG1 2.87Å; H230-M256 HydrophobicContact CB-CG 4.32Å; H230-M256 HydrophobicContact CB-SD 4.16Å
231R98.9Very high98.4Very high43 Ų4337.3 Ų37.316%0.16218%0.179CC..Hα-helixtrans-64.3-46.8177.5177.4156.848.199.80.3111.9M161 D171 N194 E227 A228 T229 I233 T234 I235M161-R231 HydrophobicContact CE-CB 4.22Å; M161-R231 HydrophobicContact CE-CG 4.11Å; M161-R231 VanDerWaalsContact CE-NH1 3.34Å; D171-R231 IonicContact OD1-CZ 2.71Å; D171-R231 IonicContact OD1-NH1 3.47Å; D171-R231 PolarHBondContact OD1-NH1 2.92Å; D171-R231 WeakPolarHBondContact OD2-CD 3.35Å; D171-R231 IonicContact OD2-NH1 3.27Å; N194-R231 PolarHBondContact ND2-NH2 3.3Å; E227-R231 WeakPolarHBondContact O-CB 3.48Å; E227-R231 PolarHBondContact O-N 3.38Å; E227-R231 IonicContact OE1-CZ 2.72Å; E227-R231 IonicContact OE1-NE 3.82Å; E227-R231 PolarHBondContact OE1-NE 2.95Å; E227-R231 IonicContact OE1-NH2 2.67Å; E227-R231 IonicContact OE2-CZ 2.82Å; E227-R231 IonicContact OE2-NE 3.87Å; E227-R231 IonicContact OE2-NH2 3.73Å; E227-R231 PolarHBondContact OE2-NH2 3.29Å; A228-R231 PolarHBondContact O-N 3.38Å; T229-R231 PolarHBondContact O-N 2.8Å; R231-I233 PolarHBondContact O-N 2.94Å; R231-T234 WeakPolarHBondContact O-CB 3.49Å; R231-T234 PolarHBondContact O-N 2.89Å; R231-T234 VanDerWaalsContact O-N 3.12Å; R231-I235 HydrophobicContact CG-CD1 3.79Å; R231-I235 HydrophobicContact CG-CG1 4.43Å; R231-I235 VanDerWaalsContact O-CG1 3.31Å; R231-I235 WeakPolarHBondContact O-CG1 3.45Å; R231-I235 PolarHBondContact O-N 2.88Å
232A98.9Very high98.4Very high0 Ų035.2 Ų35.20%017%0.165CC..Hα-helixtrans-58.1-47.3177.100000112M161 V190 A228 T229 T234 I235 A236 I243 L245M161-A232 HydrophobicContact SD-CB 3.68Å; V190-A232 HydrophobicContact CG1-CB 4.17Å; A228-A232 VanDerWaalsContact O-CB 3.26Å; A228-A232 WeakPolarHBondContact O-CB 3.34Å; A228-A232 PolarHBondContact O-N 3.03Å; T229-A232 PolarHBondContact O-N 3.27Å; A232-T234 VanDerWaalsContact C-N 3.28Å; A232-T234 PolarHBondContact O-N 3.32Å; A232-I235 PolarHBondContact O-N 3.4Å; A232-A236 WeakPolarHBondContact O-CB 3.4Å; A232-A236 PolarHBondContact O-N 2.93Å; A232-I243 HydrophobicContact CB-CD1 3.68Å; A232-L245 HydrophobicContact CB-CD1 4.31Å
233I98.9Very high98.4Very high3 Ų332.7 Ų32.72%0.01515%0.153CC..Hα-helixtrans-60-41.1176.3-72.1169.8000110.9T229 R231 N237 I243 L245 I257 A260 K265 V267T229-I233 HydrophobicContact CG2-CD1 3.83Å; T229-I233 WeakPolarHBondContact O-CB 3.41Å; T229-I233 WeakPolarHBondContact O-CD1 3.46Å; T229-I233 VanDerWaalsContact O-CG1 3.22Å; T229-I233 WeakPolarHBondContact O-CG1 3.49Å; T229-I233 PolarHBondContact O-N 3.1Å; R231-I233 PolarHBondContact O-N 2.94Å; I233-N237 VanDerWaalsContact O-CB 3.28Å; I233-N237 WeakPolarHBondContact O-CB 3.22Å; I233-N237 PolarHBondContact O-N 3.17Å; I233-I243 HydrophobicContact CG1-CG2 4.44Å; I233-L245 HydrophobicContact CD1-CD2 4.47Å; I233-L245 HydrophobicContact CG1-CD2 4.13Å; I233-I257 HydrophobicContact CD1-CG1 4.27Å; I233-A260 HydrophobicContact CD1-CB 3.9Å; I233-A260 HydrophobicContact CG2-CB 3.72Å; I233-K265 HydrophobicContact CG2-CD 3.51Å; I233-V267 HydrophobicContact CB-CG2 4.5Å; I233-V267 HydrophobicContact CD1-CG1 4.07Å; I233-V267 HydrophobicContact CD1-CG2 4.26Å; I233-V267 HydrophobicContact CG1-CG1 4.15Å; I233-V267 HydrophobicContact CG1-CG2 3.93Å; I233-V267 HydrophobicContact CG2-CG2 3.94Å
234T98.9Very high98.4Very high56 Ų5626.7 Ų26.734%0.34413%0.125SC..Hα-helixtrans-64.7-49.1178.9-63.50000111H230 R231 A232 A236 N237 R238H230-T234 WeakPolarHBondContact O-CB 3.47Å; H230-T234 PolarHBondContact O-N 3.12Å; H230-T234 PolarHBondContact O-OG1 2.87Å; R231-T234 WeakPolarHBondContact O-CB 3.49Å; R231-T234 PolarHBondContact O-N 2.89Å; R231-T234 VanDerWaalsContact O-N 3.12Å; A232-T234 VanDerWaalsContact C-N 3.28Å; A232-T234 PolarHBondContact O-N 3.32Å; T234-A236 PolarHBondContact O-N 2.85Å; T234-N237 PolarHBondContact O-N 2.8Å; T234-R238 WeakPolarHBondContact O-CG 3.03Å; T234-R238 PolarHBondContact O-N 2.84Å
235I98.9Very high98.4Very high19 Ų1926.2 Ų26.210%0.09712%0.123CC..Hα-helixtrans-60.8-47177.8-63167.7000110.3D171 L174 Y175 L178 R231 A232 N237 R238 A239D171-I235 HydrophobicContact CB-CD1 4.08Å; L174-I235 HydrophobicContact CD2-CD1 3.96Å; L174-I235 HydrophobicContact CG-CG2 4.48Å; Y175-I235 HydrophobicContact CD2-CG2 3.98Å; Y175-I235 HydrophobicContact CG-CG2 4.42Å; L178-I235 HydrophobicContact CD1-CB 4.38Å; L178-I235 HydrophobicContact CD1-CG2 3.79Å; R231-I235 HydrophobicContact CG-CD1 3.79Å; R231-I235 HydrophobicContact CG-CG1 4.43Å; R231-I235 VanDerWaalsContact O-CG1 3.31Å; R231-I235 WeakPolarHBondContact O-CG1 3.45Å; R231-I235 PolarHBondContact O-N 2.88Å; A232-I235 PolarHBondContact O-N 3.4Å; I235-N237 VanDerWaalsContact C-N 3.35Å; I235-N237 PolarHBondContact O-N 2.9Å; I235-R238 WeakPolarHBondContact O-CB 3.46Å; I235-R238 PolarHBondContact O-N 2.57Å; I235-R238 VanDerWaalsContact O-N 3.09Å; I235-A239 WeakPolarHBondContact O-CB 3.43Å; I235-A239 PolarHBondContact O-N 3.4Å
236A98.7Very high98.4Very high1 Ų126.4 Ų26.41%0.00812%0.124CC..Hα-helixtrans-60.4-42178.100000112.9L178 A232 T234 R238 A239 R240 C241 I243L178-A236 HydrophobicContact CD1-CB 4.04Å; A232-A236 WeakPolarHBondContact O-CB 3.4Å; A232-A236 PolarHBondContact O-N 2.93Å; T234-A236 PolarHBondContact O-N 2.85Å; A236-R238 VanDerWaalsContact C-N 3.31Å; A236-R238 PolarHBondContact O-N 2.9Å; A236-A239 CarbonylContact O-C 3.13Å; A236-A239 PolarHBondContact O-N 3.37Å; A236-R240 PolarHBondContact O-N 2.74Å; A236-C241 PolarHBondContact O-N 3.48Å; A236-I243 HydrophobicContact CB-CB 3.67Å; A236-I243 HydrophobicContact CB-CD1 3.95Å; A236-I243 HydrophobicContact CB-CG1 4.3Å; A236-I243 HydrophobicContact CB-CG2 3.89Å
237N97.8Very high98.4Very high48 Ų4826 Ų2626%0.25712%0.121SC..Hα-helixtrans-64-36175.1-178.364000112.3I233 T234 I235 R240 K265 R478I233-N237 VanDerWaalsContact O-CB 3.28Å; I233-N237 WeakPolarHBondContact O-CB 3.22Å; I233-N237 PolarHBondContact O-N 3.17Å; T234-N237 PolarHBondContact O-N 2.8Å; I235-N237 VanDerWaalsContact C-N 3.35Å; I235-N237 PolarHBondContact O-N 2.9Å; N237-R240 PolarHBondContact O-N 3.15Å; N237-K265 HydrophobicContact CB-CD 4.45Å; N237-R478 PolarHBondContact OD1-NH2 3.13Å
238R96.9Very high98.4Very high123 Ų12322.7 Ų22.746%0.46411%0.105SC..Hα-helixtrans-68.5-41.8172.6-66.1-55-59130.5-2.3112.2Y175 T234 I235 A236 R240 Y484Y175-R238 HydrophobicContact CE2-CB 4.12Å; T234-R238 WeakPolarHBondContact O-CG 3.03Å; T234-R238 PolarHBondContact O-N 2.84Å; I235-R238 WeakPolarHBondContact O-CB 3.46Å; I235-R238 PolarHBondContact O-N 2.57Å; I235-R238 VanDerWaalsContact O-N 3.09Å; A236-R238 VanDerWaalsContact C-N 3.31Å; A236-R238 PolarHBondContact O-N 2.9Å; R238-R240 PolarHBondContact O-N 3.02Å; R238-Y484 PolarHBondContact NH1-OH 2.93Å; R238-Y484 PolarHBondContact NH2-OH 3.05Å
239A96.6Very high98.4Very high7 Ų722.7 Ų22.76%0.05811%0.106CC..Hα-helixtrans-73-9.4176.800000113.5Y175 L178 Q179 I235 A236 C241Y175-A239 HydrophobicContact CD2-CB 4.04Å; Y175-A239 HydrophobicContact CE2-CB 3.94Å; L178-A239 HydrophobicContact CB-CB 3.88Å; Q179-A239 HydrophobicContact CG-CB 4Å; I235-A239 WeakPolarHBondContact O-CB 3.43Å; I235-A239 PolarHBondContact O-N 3.4Å; A236-A239 CarbonylContact O-C 3.13Å; A236-A239 PolarHBondContact O-N 3.37Å; A239-C241 HydrophobicContact CB-CB 4.41Å; A239-C241 PolarHBondContact O-N 3.1Å
240R95.8Very high98.4Very high50 Ų5022.6 Ų22.619%0.18911%0.105CC..THydrogen-bonded Turntrans56.437.1-173.5-54.1177.8177.7-174.4-7112.3K182 A236 N237 R238 M475 E479 Q482K182-R240 VanDerWaalsContact CG-O 3.31Å; K182-R240 WeakPolarHBondContact CG-O 3.31Å; A236-R240 PolarHBondContact O-N 2.74Å; N237-R240 PolarHBondContact O-N 3.15Å; R238-R240 PolarHBondContact O-N 3.02Å; R240-M475 HydrophobicContact CB-CE 4.25Å; R240-M475 WeakPolarHBondContact O-CE 3.33Å; R240-E479 IonicContact NH1-OE1 2.72Å; R240-Q482 PolarHBondContact NH2-O 3.39Å
241C98Very high98.3Very high5 Ų519.6 Ų19.63%0.0349%0.092CC..  trans-105.1135.7177.9-170.20000109.9L178 K182 A236 A239L178-C241 HydrophobicContact CB-CB 4.09Å; L178-C241 WeakPolarHBondContact O-CB 3.27Å; L178-C241 PolarHBondContact O-SG 2.86Å; K182-C241 HydrophobicContact CB-CB 4.07Å; A236-C241 PolarHBondContact O-N 3.48Å; A239-C241 HydrophobicContact CB-CB 4.41Å; A239-C241 PolarHBondContact O-N 3.1Å
242P98Very high98.3Very high2 Ų220.5 Ų20.51%0.01310%0.099CC..  trans-65.2132.7165.129.1-32.9000109.7V266 L471 Y472P242-V266 HydrophobicContact CB-CB 4.48Å; P242-V266 HydrophobicContact CB-CG1 3.78Å; P242-L471 HydrophobicContact CB-CB 4.22Å; P242-L471 HydrophobicContact CG-CB 4.35Å; P242-Y472 HydrophobicContact CG-CD2 4.34Å; P242-Y472 HydrophobicContact CG-CE1 4.31Å; P242-Y472 HydrophobicContact CG-CE2 3.69Å
243I98.7Very high98.3Very high4 Ų420.5 Ų20.52%0.02110%0.099CC..EExtended strand (participates in β ladder)trans-114144-179-168.3174.6000111.4V190 A232 I233 A236 L245 V266 V267 H268V190-I243 HydrophobicContact CB-CD1 4.25Å; V190-I243 HydrophobicContact CG2-CD1 3.76Å; V190-I243 HydrophobicContact CG2-CG1 3.99Å; A232-I243 HydrophobicContact CB-CD1 3.68Å; I233-I243 HydrophobicContact CG1-CG2 4.44Å; A236-I243 HydrophobicContact CB-CB 3.67Å; A236-I243 HydrophobicContact CB-CD1 3.95Å; A236-I243 HydrophobicContact CB-CG1 4.3Å; A236-I243 HydrophobicContact CB-CG2 3.89Å; I243-L245 HydrophobicContact CD1-CD1 4.3Å; I243-L245 HydrophobicContact CD1-CD2 4.28Å; I243-L245 HydrophobicContact CG1-CD2 4.12Å; I243-L245 HydrophobicContact CG2-CD2 3.99Å; I243-V266 PolarHBondContact N-O 3.03Å; I243-V267 HydrophobicContact CG2-CB 4.27Å; I243-V267 HydrophobicContact CG2-CG1 4.16Å; I243-V267 HydrophobicContact CG2-CG2 3.84Å; I243-H268 PolarHBondContact O-N 2.86Å
244Y98.9Very high98.3Very high2 Ų220.4 Ų20.41%0.00810%0.099CC..EExtended strand (participates in β ladder)trans-120.2110.3176.3-167.8-84.3000109.8A188 R189 V190 V246 H268 E270 V321 I384A188-Y244 PolarHBondContact O-N 3.27Å; R189-Y244 CarbonylContact C-O 3.59Å; R189-Y244 VanDerWaalsContact CA-O 3.25Å; R189-Y244 WeakPolarHBondContact CA-O 3.46Å; R189-Y244 HydrophobicContact CG-CD1 4.05Å; R189-Y244 HydrophobicContact CG-CG 4.43Å; V190-Y244 PolarHBondContact N-O 2.79Å; Y244-V246 HydrophobicContact CD1-CG1 3.77Å; Y244-V246 HydrophobicContact CE1-CG1 4.02Å; Y244-H268 CarbonylContact C-O 3.57Å; Y244-H268 VanDerWaalsContact CA-O 3.27Å; Y244-H268 WeakPolarHBondContact CA-O 3.47Å; Y244-H268 HydrophobicContact CD2-CB 3.78Å; Y244-H268 HydrophobicContact CE2-CB 4.3Å; Y244-E270 HydrophobicContact CE1-CB 3.47Å; Y244-E270 VanDerWaalsContact CE1-CB 3.47Å; Y244-E270 HydrophobicContact CE1-CG 4.32Å; Y244-E270 WeakPolarHBondContact CE1-OE2 3.44Å; Y244-E270 WeakPolarHBondContact OH-CB 3.4Å; Y244-E270 PolarHBondContact OH-OE2 3.04Å; Y244-V321 WeakPolarHBondContact OH-CB 3.48Å; Y244-I384 HydrophobicContact CD2-CD1 4.39Å; Y244-I384 HydrophobicContact CD2-CG2 4.01Å; Y244-I384 HydrophobicContact CE2-CD1 3.81Å; Y244-I384 HydrophobicContact CE2-CG2 3.97Å
245L98.9Very high98.3Very high1 Ų120.8 Ų20.81%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-84.6128.6178.3-70.3-59.1000108.8V190 A192 T229 A232 I233 I243 V248 I257 V267 H268 A269 E270V190-L245 HydrophobicContact CB-CD1 4.46Å; A192-L245 HydrophobicContact CB-CD1 4Å; T229-L245 HydrophobicContact CG2-CD1 4.36Å; T229-L245 HydrophobicContact CG2-CG 4.25Å; A232-L245 HydrophobicContact CB-CD1 4.31Å; I233-L245 HydrophobicContact CD1-CD2 4.47Å; I233-L245 HydrophobicContact CG1-CD2 4.13Å; I243-L245 HydrophobicContact CD1-CD1 4.3Å; I243-L245 HydrophobicContact CD1-CD2 4.28Å; I243-L245 HydrophobicContact CG1-CD2 4.12Å; I243-L245 HydrophobicContact CG2-CD2 3.99Å; L245-V248 HydrophobicContact CB-CG2 4.15Å; L245-I257 HydrophobicContact CB-CD1 4.34Å; L245-I257 HydrophobicContact CG-CD1 4.46Å; L245-V267 HydrophobicContact CD2-CG1 3.51Å; L245-H268 PolarHBondContact N-O 3.43Å; L245-A269 HydrophobicContact CB-CB 4.12Å; L245-A269 CarbonylContact O-C 3.57Å; L245-A269 VanDerWaalsContact O-CA 3.29Å; L245-A269 WeakPolarHBondContact O-CA 3.36Å; L245-E270 PolarHBondContact O-N 3.02Å
246V98.8Very high98.3Very high8 Ų823 Ų235%0.04811%0.11CC..EExtended strand (participates in β ladder)trans-103152.7-178.6-53.40000110.7R189 V190 H191 Y244 V248R189-V246 HydrophobicContact CB-CG1 3.93Å; R189-V246 HydrophobicContact CG-CG1 4.38Å; V190-V246 PolarHBondContact O-N 2.74Å; H191-V246 HydrophobicContact CB-CG2 4.1Å; Y244-V246 HydrophobicContact CD1-CG1 3.77Å; Y244-V246 HydrophobicContact CE1-CG1 4.02Å; V246-V248 VanDerWaalsContact C-N 3.28Å; V246-V248 PolarHBondContact O-N 3.02Å
247N98.5Very high98.3Very high4 Ų423 Ų232%0.02111%0.109CC..SBendtrans53.439.3173.2-54.9-4.4000114.3S249 E270 T272 P298 E325N247-S249 PolarHBondContact O-N 3.36Å; N247-E270 PolarHBondContact N-O 3.16Å; N247-E270 VanDerWaalsContact N-O 3.15Å; N247-T272 HydrophobicContact CB-CG2 4.18Å; N247-P298 WeakPolarHBondContact O-CD 3.22Å; N247-E325 WeakPolarHBondContact ND2-CG 3.31Å
248V98.9Very high98.4Very high1 Ų121.7 Ų21.71%0.00611%0.105CC..  trans-57.4115.8176.5179.20000108.9E225 L245 V246 A253 I257 A269 E270 T271 L310 L319E225-V248 WeakPolarHBondContact OE1-CA 3.3Å; L245-V248 HydrophobicContact CB-CG2 4.15Å; V246-V248 VanDerWaalsContact C-N 3.28Å; V246-V248 PolarHBondContact O-N 3.02Å; V248-A253 HydrophobicContact CG1-CB 4.11Å; V248-I257 HydrophobicContact CB-CD1 4.49Å; V248-I257 HydrophobicContact CG1-CD1 4.12Å; V248-I257 HydrophobicContact CG2-CD1 3.53Å; V248-A269 HydrophobicContact CG2-CB 4.08Å; V248-E270 WeakPolarHBondContact CG2-O 3.42Å; V248-E270 PolarHBondContact N-O 3.17Å; V248-T271 WeakPolarHBondContact O-CB 3.47Å; V248-T271 PolarHBondContact O-OG1 2.92Å; V248-T271 VanDerWaalsContact O-OG1 3.11Å; V248-L310 HydrophobicContact CG1-CD2 4.27Å; V248-L319 HydrophobicContact CB-CD2 4.08Å; V248-L319 HydrophobicContact CG1-CD2 4.09Å; V248-L319 HydrophobicContact CG2-CD2 4.06Å
249S98.8Very high98.5Very high1 Ų117.5 Ų17.51%0.00710%0.097CC..  trans-114.1-16-171.586.30000114.7E225 N247 H275 P298 P299 R301 T306E225-S249 PolarHBondContact OE1-N 3.17Å; E225-S249 PolarHBondContact OE2-OG 2.8Å; N247-S249 PolarHBondContact O-N 3.36Å; S249-H275 WeakPolarHBondContact CB-CD2 3.45Å; S249-H275 VanDerWaalsContact CB-NE2 3.34Å; S249-H275 WeakPolarHBondContact CB-NE2 3.34Å; S249-P298 WeakPolarHBondContact OG-CB 3.38Å; S249-P299 PolarHBondContact OG-O 3.12Å; S249-P299 VanDerWaalsContact OG-O 3.08Å; S249-R301 WeakPolarHBondContact O-CG 3.47Å; S249-R301 VanDerWaalsContact OG-CZ 3.29Å; S249-R301 PolarHBondContact OG-NE 2.96Å; S249-R301 PolarHBondContact OG-NH2 3.32Å; S249-R301 VanDerWaalsContact OG-NH2 3.1Å; S249-T306 WeakPolarHBondContact O-CG2 3.46Å
250S98.8Very high98.6Very high0 Ų017.3 Ų17.30%010%0.095CC..  trans-118.7157.1-174.4590000114.4E222 E225 L252 A253 G254E222-S250 VanDerWaalsContact CB-CB 3.43Å; E222-S250 VanDerWaalsContact OE2-CB 3.3Å; E222-S250 WeakPolarHBondContact OE2-CB 3.19Å; E225-S250 VanDerWaalsContact CD-OG 3.3Å; E225-S250 WeakPolarHBondContact OE2-CB 3.36Å; E225-S250 PolarHBondContact OE2-N 2.91Å; E225-S250 PolarHBondContact OE2-OG 3.15Å; S250-L252 VanDerWaalsContact C-N 3.33Å; S250-A253 VanDerWaalsContact OG-CB 3.27Å; S250-A253 WeakPolarHBondContact OG-CB 3.29Å; S250-A253 PolarHBondContact OG-N 2.69Å; S250-G254 PolarHBondContact O-N 3.5Å; S250-G254 VanDerWaalsContact O-N 3.13Å
251M98.8Very high98.7Very high34 Ų3417.4 Ų17.417%0.16710%0.097CC..Hα-helixtrans-64.6-40.7172.4-58.5-172.1-81.100110.7A253 G254 D255 D303 N305 T306 Y309M251-A253 PolarHBondContact O-N 2.88Å; M251-G254 CarbonylContact O-C 3.55Å; M251-G254 WeakPolarHBondContact O-CA 3.49Å; M251-G254 PolarHBondContact O-N 3.25Å; M251-G254 VanDerWaalsContact O-N 3.15Å; M251-D255 PolarHBondContact O-N 2.49Å; M251-D303 HydrophobicContact CE-CB 3.85Å; M251-D303 VanDerWaalsContact CE-CG 3.44Å; M251-D303 VanDerWaalsContact CE-OD2 3.22Å; M251-D303 WeakPolarHBondContact CE-OD2 3.21Å; M251-N305 HydrophobicContact SD-CB 4.48Å; M251-T306 HydrophobicContact CG-CG2 4.14Å; M251-Y309 HydrophobicContact CB-CD1 3.72Å; M251-Y309 HydrophobicContact CB-CE1 3.9Å; M251-Y309 HydrophobicContact CB-CG 4.33Å; M251-Y309 HydrophobicContact CG-CD1 3.49Å; M251-Y309 VanDerWaalsContact CG-CD1 3.49Å; M251-Y309 HydrophobicContact CG-CE1 4.19Å; M251-Y309 HydrophobicContact CG-CG 3.75Å; M251-Y309 HydrophobicContact SD-CD1 4.28Å; M251-Y309 HydrophobicContact SD-CD2 4.44Å; M251-Y309 HydrophobicContact SD-CG 3.94Å
252L98.7Very high98.7Very high62 Ų6224.7 Ų24.733%0.32513%0.133SC..Hα-helixtrans-61.9-44.6179.4-63-176.1000112.9E222 S250 G254 D255 M256E222-L252 HydrophobicContact CB-CD1 4.46Å; E222-L252 HydrophobicContact CG-CD1 3.8Å; E222-L252 HydrophobicContact CG-CG 4.33Å; E222-L252 WeakPolarHBondContact OE1-CD1 3.48Å; S250-L252 VanDerWaalsContact C-N 3.33Å; L252-G254 VanDerWaalsContact C-N 3.32Å; L252-D255 PolarHBondContact O-N 2.93Å; L252-M256 WeakPolarHBondContact O-CG 3.48Å; L252-M256 PolarHBondContact O-N 2.84Å; L252-M256 VanDerWaalsContact O-N 3.08Å
253A98.9Very high98.7Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-65.4-38.7174.700000111.5E225 V248 S250 M251 D255 M256 I257E225-A253 HydrophobicContact CG-CB 3.86Å; E225-A253 WeakPolarHBondContact OE1-CB 3.27Å; V248-A253 HydrophobicContact CG1-CB 4.11Å; S250-A253 VanDerWaalsContact OG-CB 3.27Å; S250-A253 WeakPolarHBondContact OG-CB 3.29Å; S250-A253 PolarHBondContact OG-N 2.69Å; M251-A253 PolarHBondContact O-N 2.88Å; A253-D255 VanDerWaalsContact C-N 3.33Å; A253-D255 PolarHBondContact O-N 3.42Å; A253-M256 PolarHBondContact O-N 3.08Å; A253-I257 WeakPolarHBondContact O-CD1 3.41Å; A253-I257 WeakPolarHBondContact O-CG1 3.27Å; A253-I257 PolarHBondContact O-N 2.76Å
254G98.8Very high98.7Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-55.2-44.7171.300000113.2S250 M251 L252 I257 A258S250-G254 PolarHBondContact O-N 3.5Å; S250-G254 VanDerWaalsContact O-N 3.13Å; M251-G254 CarbonylContact O-C 3.55Å; M251-G254 WeakPolarHBondContact O-CA 3.49Å; M251-G254 PolarHBondContact O-N 3.25Å; M251-G254 VanDerWaalsContact O-N 3.15Å; L252-G254 VanDerWaalsContact C-N 3.32Å; G254-I257 PolarHBondContact O-N 3.46Å; G254-A258 PolarHBondContact O-N 3Å
255D98.9Very high98.6Very high65 Ų6534.1 Ų34.135%0.34819%0.187SC..Hα-helixtrans-65.2-40.3177.6-71.7-9.3000112.3M251 L252 A253 I257 A258 A259 Y309M251-D255 PolarHBondContact O-N 2.49Å; L252-D255 PolarHBondContact O-N 2.93Å; A253-D255 VanDerWaalsContact C-N 3.33Å; A253-D255 PolarHBondContact O-N 3.42Å; D255-I257 VanDerWaalsContact C-N 3.29Å; D255-I257 PolarHBondContact O-N 2.76Å; D255-A258 PolarHBondContact O-N 3.1Å; D255-A259 WeakPolarHBondContact O-CB 3.5Å; D255-A259 PolarHBondContact O-N 2.89Å; D255-Y309 PolarHBondContact OD1-OH 3.48Å
256M98.8Very high98.6Very high66 Ų6634.9 Ų34.933%0.32519%0.192SC..Hα-helixtrans-61.2-39.8174.9-67.7-58.4141.200111.5S226 T229 H230 L252 A253 A260S226-M256 WeakPolarHBondContact OG-CG 3.41Å; T229-M256 HydrophobicContact CG2-CB 4.05Å; H230-M256 HydrophobicContact CB-CG 4.32Å; H230-M256 HydrophobicContact CB-SD 4.16Å; L252-M256 WeakPolarHBondContact O-CG 3.48Å; L252-M256 PolarHBondContact O-N 2.84Å; L252-M256 VanDerWaalsContact O-N 3.08Å; A253-M256 PolarHBondContact O-N 3.08Å; M256-A260 VanDerWaalsContact O-CB 3.27Å; M256-A260 WeakPolarHBondContact O-CB 3.28Å; M256-A260 PolarHBondContact O-N 3.41Å
257I98.9Very high98.5Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-68-45.3176.3-67.2157.7000110.7T229 I233 L245 V248 A253 G254 D255 A260 K261 V267 A269 T318 L319T229-I257 HydrophobicContact CG2-CD1 4.29Å; T229-I257 HydrophobicContact CG2-CG1 3.9Å; I233-I257 HydrophobicContact CD1-CG1 4.27Å; L245-I257 HydrophobicContact CB-CD1 4.34Å; L245-I257 HydrophobicContact CG-CD1 4.46Å; V248-I257 HydrophobicContact CB-CD1 4.49Å; V248-I257 HydrophobicContact CG1-CD1 4.12Å; V248-I257 HydrophobicContact CG2-CD1 3.53Å; A253-I257 WeakPolarHBondContact O-CD1 3.41Å; A253-I257 WeakPolarHBondContact O-CG1 3.27Å; A253-I257 PolarHBondContact O-N 2.76Å; G254-I257 PolarHBondContact O-N 3.46Å; D255-I257 VanDerWaalsContact C-N 3.29Å; D255-I257 PolarHBondContact O-N 2.76Å; I257-A260 PolarHBondContact O-N 2.92Å; I257-K261 HydrophobicContact CG2-CD 4.41Å; I257-K261 PolarHBondContact O-N 3.42Å; I257-V267 HydrophobicContact CG2-CG1 4.17Å; I257-A269 HydrophobicContact CD1-CB 3.68Å; I257-A269 HydrophobicContact CG1-CB 4.42Å; I257-A269 HydrophobicContact CG2-CB 4.11Å; I257-T318 HydrophobicContact CB-CG2 4.43Å; I257-T318 HydrophobicContact CG2-CG2 4Å; I257-L319 HydrophobicContact CD1-CD2 4.23Å
258A98.9Very high98.5Very high21 Ų2135.1 Ų35.117%0.17419%0.193CC..Hα-helixtrans-58.4-49.7176.600000111.3G254 D255 A260 K261 M262 T318G254-A258 PolarHBondContact O-N 3Å; D255-A258 PolarHBondContact O-N 3.1Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 3.43Å; A258-K261 PolarHBondContact O-N 2.53Å; A258-M262 WeakPolarHBondContact O-CG 3.41Å; A258-M262 PolarHBondContact O-N 3.43Å; A258-T318 HydrophobicContact CB-CG2 3.84Å
259A98.8Very high98.5Very high35 Ų3535.1 Ų35.129%0.28919%0.193SC..Hα-helixtrans-59.8-42.2177.300000112.3D255 M262 Q263D255-A259 WeakPolarHBondContact O-CB 3.5Å; D255-A259 PolarHBondContact O-N 2.89Å; A259-M262 HydrophobicContact CB-CE 4.37Å; A259-M262 PolarHBondContact O-N 2.78Å; A259-Q263 WeakPolarHBondContact O-CG 2.94Å; A259-Q263 PolarHBondContact O-N 2.89Å; A259-Q263 VanDerWaalsContact O-N 3.09Å
260A98.8Very high98.5Very high3 Ų335 Ų353%0.02519%0.192CC..Hα-helixtrans-63.7-42.3176.400000112.7I233 M256 I257 A258 Q263 G264 K265 V267I233-A260 HydrophobicContact CD1-CB 3.9Å; I233-A260 HydrophobicContact CG2-CB 3.72Å; M256-A260 VanDerWaalsContact O-CB 3.27Å; M256-A260 WeakPolarHBondContact O-CB 3.28Å; M256-A260 PolarHBondContact O-N 3.41Å; I257-A260 PolarHBondContact O-N 2.92Å; A258-A260 VanDerWaalsContact C-N 3.33Å; A258-A260 PolarHBondContact O-N 3.43Å; A260-Q263 PolarHBondContact O-N 3.03Å; A260-G264 PolarHBondContact O-N 3.45Å; A260-K265 HydrophobicContact CB-CB 4.33Å; A260-K265 HydrophobicContact CB-CD 3.93Å; A260-K265 VanDerWaalsContact O-CB 3.31Å; A260-K265 WeakPolarHBondContact O-CB 3.45Å; A260-K265 PolarHBondContact O-N 3.02Å; A260-V267 HydrophobicContact CB-CG2 4.05Å
261K98.6Very high98.5Very high52 Ų5235 Ų3523%0.22619%0.192CC..Hα-helixtrans-63.4-42.2174.9-79.9-175.9165179.50111.6I257 A258 Q263 G264 V267 D317 T318 S320I257-K261 HydrophobicContact CG2-CD 4.41Å; I257-K261 PolarHBondContact O-N 3.42Å; A258-K261 PolarHBondContact O-N 2.53Å; K261-Q263 PolarHBondContact O-N 3.33Å; K261-G264 WeakPolarHBondContact O-CA 3.2Å; K261-G264 PolarHBondContact O-N 3.37Å; K261-V267 WeakPolarHBondContact CE-O 3.38Å; K261-D317 PolarHBondContact NZ-O 3.48Å; K261-T318 PolarHBondContact NZ-O 3.13Å; K261-S320 PolarHBondContact NZ-OG 3.01Å
262M98.6Very high98.5Very high158 Ų15833.4 Ų33.478%0.77818%0.184SC*.Hα-helixtrans-60-33.6174.6-72.3-168.7-68.200112.7A258 A259 G264A258-M262 WeakPolarHBondContact O-CG 3.41Å; A258-M262 PolarHBondContact O-N 3.43Å; A259-M262 HydrophobicContact CB-CE 4.37Å; A259-M262 PolarHBondContact O-N 2.78Å; M262-G264 PolarHBondContact O-N 3.25Å
263Q98.1Very high98.5Very high127 Ų12730.5 Ų30.559%0.59317%0.169SC*.THydrogen-bonded Turntrans-77.63.2173.8-66.5168.55.600113.5A259 A260 K261 K265A259-Q263 WeakPolarHBondContact O-CG 2.94Å; A259-Q263 PolarHBondContact O-N 2.89Å; A259-Q263 VanDerWaalsContact O-N 3.09Å; A260-Q263 PolarHBondContact O-N 3.03Å; K261-Q263 PolarHBondContact O-N 3.33Å; Q263-K265 VanDerWaalsContact C-N 3.28Å; Q263-K265 HydrophobicContact CB-CG 4.4Å; Q263-K265 PolarHBondContact O-N 3.17Å
264G97Very high98.5Very high43 Ų4330.5 Ų30.544%0.44317%0.169SC..THydrogen-bonded Turntrans69.820.1-178.200000114A260 K261 M262 R478A260-G264 PolarHBondContact O-N 3.45Å; K261-G264 WeakPolarHBondContact O-CA 3.2Å; K261-G264 PolarHBondContact O-N 3.37Å; M262-G264 PolarHBondContact O-N 3.25Å; G264-R478 PolarHBondContact O-NH1 3.46Å
265K97.9Very high98.5Very high35 Ų3530.6 Ų30.615%0.15217%0.17CC..  trans-69.7146.1170.5-61.5177-179.7161.40109I233 N237 A260 Q263 V267I233-K265 HydrophobicContact CG2-CD 3.51Å; N237-K265 HydrophobicContact CB-CD 4.45Å; A260-K265 HydrophobicContact CB-CB 4.33Å; A260-K265 HydrophobicContact CB-CD 3.93Å; A260-K265 VanDerWaalsContact O-CB 3.31Å; A260-K265 WeakPolarHBondContact O-CB 3.45Å; A260-K265 PolarHBondContact O-N 3.02Å; Q263-K265 VanDerWaalsContact C-N 3.28Å; Q263-K265 HydrophobicContact CB-CG 4.4Å; Q263-K265 PolarHBondContact O-N 3.17Å; K265-V267 HydrophobicContact CB-CG2 3.92Å; K265-V267 PolarHBondContact O-N 3.07Å; K265-V267 VanDerWaalsContact O-N 3.1Å
266V97.5Very high98.5Very high18 Ų1827.6 Ų27.611%0.10915%0.154CC..  trans-88.683-178.9-172.40000108.9P242 I243 K474 M475P242-V266 HydrophobicContact CB-CB 4.48Å; P242-V266 HydrophobicContact CB-CG1 3.78Å; I243-V266 PolarHBondContact N-O 3.03Å; V266-K474 HydrophobicContact CG1-CD 4.22Å; V266-K474 HydrophobicContact CG2-CD 3.8Å; V266-K474 HydrophobicContact CG2-CG 4.12Å; V266-M475 HydrophobicContact CB-SD 3.86Å; V266-M475 HydrophobicContact CG1-SD 4.34Å; V266-M475 HydrophobicContact CG2-CG 4.38Å; V266-M475 HydrophobicContact CG2-SD 3.37Å; V266-M475 WeakPolarHBondContact CG2-SD 3.42Å
267V98.4Very high98.5Very high5 Ų525.4 Ų25.43%0.0314%0.144CC..EExtended strand (participates in β ladder)trans-120.4130.1-177.6-177.50000108.4I233 I243 L245 I257 A260 K261 K265I233-V267 HydrophobicContact CB-CG2 4.5Å; I233-V267 HydrophobicContact CD1-CG1 4.07Å; I233-V267 HydrophobicContact CD1-CG2 4.26Å; I233-V267 HydrophobicContact CG1-CG1 4.15Å; I233-V267 HydrophobicContact CG1-CG2 3.93Å; I233-V267 HydrophobicContact CG2-CG2 3.94Å; I243-V267 HydrophobicContact CG2-CB 4.27Å; I243-V267 HydrophobicContact CG2-CG1 4.16Å; I243-V267 HydrophobicContact CG2-CG2 3.84Å; L245-V267 HydrophobicContact CD2-CG1 3.51Å; I257-V267 HydrophobicContact CG2-CG1 4.17Å; A260-V267 HydrophobicContact CB-CG2 4.05Å; K261-V267 WeakPolarHBondContact CE-O 3.38Å; K265-V267 HydrophobicContact CB-CG2 3.92Å; K265-V267 PolarHBondContact O-N 3.07Å; K265-V267 VanDerWaalsContact O-N 3.1Å
268H98.5Very high98.5Very high12 Ų1226.3 Ų26.36%0.05615%0.149CC..EExtended strand (participates in β ladder)trans-120.8158.9165.9-69.3-87.3000108.6I243 Y244 L245 S320 I384 Y470 L471I243-H268 PolarHBondContact O-N 2.86Å; Y244-H268 CarbonylContact C-O 3.57Å; Y244-H268 VanDerWaalsContact CA-O 3.27Å; Y244-H268 WeakPolarHBondContact CA-O 3.47Å; Y244-H268 HydrophobicContact CD2-CB 3.78Å; Y244-H268 HydrophobicContact CE2-CB 4.3Å; L245-H268 PolarHBondContact N-O 3.43Å; H268-S320 PolarHBondContact ND1-OG 3.05Å; H268-I384 HydrophobicContact CB-CD1 4.29Å; H268-Y470 AromaticContact CE1-CE1 3.5Å; H268-Y470 VanDerWaalsContact CE1-CE1 3.5Å; H268-Y470 WeakPolarHBondContact CE1-CE1 3.29Å; H268-L471 WeakPolarHBondContact CD2-CD2 3.5Å; H268-L471 VanDerWaalsContact NE2-CD2 3.31Å; H268-L471 WeakPolarHBondContact NE2-CD2 3.33Å
269A98.8Very high98.4Very high0 Ų026.9 Ų26.90%015%0.149CC..EExtended strand (participates in β ladder)trans-151.4152-174.800000111.6L245 V248 I257 L319 S320 V321L245-A269 HydrophobicContact CB-CB 4.12Å; L245-A269 CarbonylContact O-C 3.57Å; L245-A269 VanDerWaalsContact O-CA 3.29Å; L245-A269 WeakPolarHBondContact O-CA 3.36Å; V248-A269 HydrophobicContact CG2-CB 4.08Å; I257-A269 HydrophobicContact CD1-CB 3.68Å; I257-A269 HydrophobicContact CG1-CB 4.42Å; I257-A269 HydrophobicContact CG2-CB 4.11Å; A269-L319 HydrophobicContact CB-CD2 3.57Å; A269-S320 PolarHBondContact O-N 2.92Å; A269-V321 PolarHBondContact O-N 2.82Å
270E98.7Very high98.4Very high0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-126136.9179.8175.4173.397.800109.4T65 R189 Y244 L245 N247 V248 V321 A323T65-E270 WeakPolarHBondContact CB-OE2 3.42Å; T65-E270 PolarHBondContact OG1-OE2 3.48Å; R189-E270 IonicContact CZ-OE1 2.71Å; R189-E270 IonicContact NH1-OE1 3.47Å; R189-E270 IonicContact NH1-OE2 3.25Å; R189-E270 IonicContact NH2-OE1 3.48Å; R189-E270 PolarHBondContact NH2-OE1 3.43Å; Y244-E270 HydrophobicContact CE1-CB 3.47Å; Y244-E270 VanDerWaalsContact CE1-CB 3.47Å; Y244-E270 HydrophobicContact CE1-CG 4.32Å; Y244-E270 WeakPolarHBondContact CE1-OE2 3.44Å; Y244-E270 WeakPolarHBondContact OH-CB 3.4Å; Y244-E270 PolarHBondContact OH-OE2 3.04Å; L245-E270 PolarHBondContact O-N 3.02Å; N247-E270 PolarHBondContact N-O 3.16Å; N247-E270 VanDerWaalsContact N-O 3.15Å; V248-E270 WeakPolarHBondContact CG2-O 3.42Å; V248-E270 PolarHBondContact N-O 3.17Å; E270-V321 WeakPolarHBondContact CA-O 3.43Å; E270-A323 VanDerWaalsContact CD-CB 3.42Å; E270-A323 HydrophobicContact CG-CB 3.81Å
271T98.9Very high98.4Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-108163.8162.7178.10000108.8V248 A276 L314 L319 V321 V322 A323V248-T271 WeakPolarHBondContact O-CB 3.47Å; V248-T271 PolarHBondContact O-OG1 2.92Å; V248-T271 VanDerWaalsContact O-OG1 3.11Å; T271-A276 HydrophobicContact CG2-CB 4.26Å; T271-L314 HydrophobicContact CG2-CD1 3.69Å; T271-L314 HydrophobicContact CG2-CD2 4.03Å; T271-L314 HydrophobicContact CG2-CG 3.91Å; T271-L319 HydrophobicContact CG2-CD1 3.9Å; T271-V321 PolarHBondContact N-O 2.87Å; T271-V322 WeakPolarHBondContact O-CA 3.49Å; T271-A323 PolarHBondContact O-N 2.84Å
272T98.9Very high98.4Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-89.4160.4168.678.70000110.7N247 A274 H275 A276 A323 E325N247-T272 HydrophobicContact CB-CG2 4.18Å; T272-A274 PolarHBondContact O-N 3.17Å; T272-A274 PolarHBondContact OG1-N 3.16Å; T272-H275 WeakPolarHBondContact CG2-ND1 3.48Å; T272-H275 PolarHBondContact O-N 3.26Å; T272-H275 PolarHBondContact OG1-N 3.3Å; T272-H275 PolarHBondContact OG1-ND1 3.11Å; T272-A276 WeakPolarHBondContact O-CB 3.4Å; T272-A276 PolarHBondContact O-N 3.27Å; T272-A323 CarbonylContact C-O 3.55Å; T272-A323 VanDerWaalsContact CA-O 3.24Å; T272-A323 WeakPolarHBondContact CA-O 3.21Å; T272-E325 HydrophobicContact CG2-CB 3.74Å; T272-E325 HydrophobicContact CG2-CG 4.47Å
273V98.6Very high98.4Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-57-39.7168.454.60000111.5A276 V277 V322 A323 R354 V357 I358 Y427V273-A276 PolarHBondContact O-N 3.13Å; V273-V277 WeakPolarHBondContact O-CG2 3.29Å; V273-V277 PolarHBondContact O-N 3.32Å; V273-V322 HydrophobicContact CB-CG2 4.39Å; V273-A323 PolarHBondContact N-O 2.94Å; V273-R354 HydrophobicContact CB-CG 4.34Å; V273-V357 HydrophobicContact CG2-CB 3.82Å; V273-V357 HydrophobicContact CG2-CG1 3.47Å; V273-V357 VanDerWaalsContact CG2-CG1 3.47Å; V273-I358 HydrophobicContact CB-CD1 4.38Å; V273-I358 HydrophobicContact CB-CG1 4.49Å; V273-I358 HydrophobicContact CG2-CD1 4.12Å; V273-I358 HydrophobicContact CG2-CG1 4.2Å; V273-Y427 WeakPolarHBondContact CG1-OH 3.48Å; V273-Y427 HydrophobicContact CG2-CE1 4.46Å
274A98.6Very high98.4Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-63-48.3-179.700000111.2T272 A276 V277 L278 L300 V348 L426 Y427T272-A274 PolarHBondContact O-N 3.17Å; T272-A274 PolarHBondContact OG1-N 3.16Å; A274-A276 VanDerWaalsContact C-N 3.32Å; A274-A276 PolarHBondContact O-N 2.72Å; A274-V277 PolarHBondContact O-N 2.9Å; A274-L278 HydrophobicContact CB-CD1 4.48Å; A274-L278 WeakPolarHBondContact O-CA 3.07Å; A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 PolarHBondContact O-N 3.16Å; A274-L300 HydrophobicContact CB-CD2 4.27Å; A274-V348 HydrophobicContact CB-CG2 4.36Å; A274-L426 HydrophobicContact CB-CD1 4.08Å; A274-Y427 WeakPolarHBondContact CA-OH 3.35Å; A274-Y427 PolarHBondContact N-OH 2.98Å
275H98.9Very high98.5Very high3 Ų322.4 Ų22.41%0.01411%0.108CC..Hα-helixtrans-64.5-36.2177.9-63.1120.7000112.8S249 T272 V277 P298 L310S249-H275 WeakPolarHBondContact CB-CD2 3.45Å; S249-H275 VanDerWaalsContact CB-NE2 3.34Å; S249-H275 WeakPolarHBondContact CB-NE2 3.34Å; T272-H275 WeakPolarHBondContact CG2-ND1 3.48Å; T272-H275 PolarHBondContact O-N 3.26Å; T272-H275 PolarHBondContact OG1-N 3.3Å; T272-H275 PolarHBondContact OG1-ND1 3.11Å; H275-V277 PolarHBondContact O-N 3.23Å; H275-P298 PolarHBondContact CE1-O 3.09Å; H275-P298 PolarHBondContact NE2-O 2.86Å; H275-L310 HydrophobicContact CB-CD1 4Å
276A98.6Very high98.5Very high2 Ų229.6 Ų29.62%0.01714%0.142CC..Hα-helixtrans-74-11.7-178.900000113.8T271 T272 V273 A274 P307 M311 L314 I358T271-A276 HydrophobicContact CG2-CB 4.26Å; T272-A276 WeakPolarHBondContact O-CB 3.4Å; T272-A276 PolarHBondContact O-N 3.27Å; V273-A276 PolarHBondContact O-N 3.13Å; A274-A276 VanDerWaalsContact C-N 3.32Å; A274-A276 PolarHBondContact O-N 2.72Å; A276-P307 CarbonylContact O-C 3.58Å; A276-P307 WeakPolarHBondContact O-CB 3.45Å; A276-M311 HydrophobicContact CB-CE 4.17Å; A276-L314 HydrophobicContact CB-CD1 4.36Å; A276-I358 HydrophobicContact CB-CD1 4.21Å
277V98.4Very high98.5Very high19 Ų1932.3 Ų32.312%0.11516%0.156CC..Hα-helixtrans-136.2-16.4-173.2-50.60000115.9V273 A274 H275 M311 V357 I358 R361 Y427V273-V277 WeakPolarHBondContact O-CG2 3.29Å; V273-V277 PolarHBondContact O-N 3.32Å; A274-V277 PolarHBondContact O-N 2.9Å; H275-V277 PolarHBondContact O-N 3.23Å; V277-M311 HydrophobicContact CG1-CE 4.11Å; V277-V357 HydrophobicContact CB-CG1 4.16Å; V277-V357 HydrophobicContact CG1-CG1 3.7Å; V277-V357 HydrophobicContact CG2-CG1 3.75Å; V277-I358 HydrophobicContact CG1-CD1 4.36Å; V277-R361 HydrophobicContact CB-CG 4.09Å; V277-R361 HydrophobicContact CG1-CB 3.79Å; V277-R361 HydrophobicContact CG1-CG 3.63Å; V277-Y427 HydrophobicContact CG2-CD1 4.01Å; V277-Y427 HydrophobicContact CG2-CE1 3.44Å; V277-Y427 VanDerWaalsContact CG2-CE1 3.44Å
278L98.6Very high98.6Very high19 Ų1935 Ų3510%0.09917%0.165CC..  trans-119.1154-179.6-54.3175.3000111A274 L300 P307 L426 Y427A274-L278 HydrophobicContact CB-CD1 4.48Å; A274-L278 WeakPolarHBondContact O-CA 3.07Å; A274-L278 WeakPolarHBondContact O-CB 3.39Å; A274-L278 PolarHBondContact O-N 3.16Å; L278-L300 HydrophobicContact CB-CD1 3.93Å; L278-L300 HydrophobicContact CB-CD2 4.18Å; L278-P307 VanDerWaalsContact O-CG 3.26Å; L278-P307 WeakPolarHBondContact O-CG 3.41Å; L278-L426 HydrophobicContact CD1-CB 3.77Å; L278-L426 HydrophobicContact CD1-CD1 4.02Å; L278-L426 HydrophobicContact CD1-CG 4.48Å; L278-Y427 HydrophobicContact CD1-CD1 4.3Å; L278-Y427 HydrophobicContact CD1-CE1 3.8Å; L278-Y427 HydrophobicContact CD2-CD1 4.27Å; L278-Y427 HydrophobicContact CD2-CE1 4.35Å; L278-Y427 HydrophobicContact CG-CD1 4.45Å; L278-Y427 HydrophobicContact CG-CE1 4.03Å
279N98.1Very high98.5Very high33 Ų3336.6 Ų36.618%0.17618%0.176CC..  trans-118.9169.5175.564.846.6000111.4N281 Q282 R301 P307N279-N281 PolarHBondContact O-N 2.71Å; N279-N281 VanDerWaalsContact OD1-CB 3.3Å; N279-N281 WeakPolarHBondContact OD1-CB 3.25Å; N279-N281 PolarHBondContact OD1-N 2.92Å; N279-N281 PolarHBondContact OD1-ND2 3.44Å; N279-Q282 WeakPolarHBondContact O-CG 3.46Å; N279-R301 CarbonylContact C-O 3.59Å; N279-R301 WeakPolarHBondContact CA-O 3.23Å; N279-R301 WeakPolarHBondContact CB-O 3.38Å; N279-P307 HydrophobicContact CB-CG 4.31Å
280G98.3Very high98.5Very high0 Ų038.3 Ų38.30%018%0.184CC..G310 helixtrans-71.5-6.6-173.800000115.3Q282 Y283 L300 R301G280-Q282 PolarHBondContact O-N 3.46Å; G280-Y283 WeakPolarHBondContact O-CB 3.33Å; G280-Y283 WeakPolarHBondContact O-CD2 3.47Å; G280-Y283 PolarHBondContact O-N 2.9Å; G280-L300 WeakPolarHBondContact CA-O 3.49Å; G280-R301 PolarHBondContact N-O 2.99Å
281N98.3Very high98.5Very high82 Ų8238.4 Ų38.444%0.43918%0.184SC..G310 helixtrans-60.5-19.8176.5-64.6-52.6000112.4N279 Y283 Y284N279-N281 PolarHBondContact O-N 2.71Å; N279-N281 VanDerWaalsContact OD1-CB 3.3Å; N279-N281 WeakPolarHBondContact OD1-CB 3.25Å; N279-N281 PolarHBondContact OD1-N 2.92Å; N279-N281 PolarHBondContact OD1-ND2 3.44Å; N281-Y283 PolarHBondContact O-N 3.33Å; N281-Y284 PolarHBondContact O-N 2.91Å; N281-Y284 VanDerWaalsContact O-N 3.15Å
282Q98.3Very high98.5Very high53 Ų5338.4 Ų38.425%0.24818%0.184CC..G310 helixtrans-60.2-30174.3-53-54.8-35.500112.5N279 G280 Y284 H285 H290 A291 H294N279-Q282 WeakPolarHBondContact O-CG 3.46Å; G280-Q282 PolarHBondContact O-N 3.46Å; Q282-Y284 VanDerWaalsContact C-N 3.25Å; Q282-Y284 PolarHBondContact O-N 3.35Å; Q282-H285 WeakPolarHBondContact O-CB 3.46Å; Q282-H285 PolarHBondContact O-N 2.98Å; Q282-H290 PolarHBondContact OE1-NE2 3.44Å; Q282-A291 WeakPolarHBondContact O-CA 3.4Å; Q282-H294 HydrophobicContact CB-CB 3.96Å; Q282-H294 VanDerWaalsContact CB-CG 3.49Å
283Y98.8Very high98.5Very high1 Ų138.4 Ų38.40%0.00419%0.185CC..G310 helixtrans-70-22.6178.2-57.8-53000113.6I216 E217 G280 N281 H285 A291 H294 V295 P299 L300I216-Y283 HydrophobicContact CG2-CD1 4.02Å; I216-Y283 HydrophobicContact CG2-CD2 4.36Å; I216-Y283 HydrophobicContact CG2-CE1 3.79Å; I216-Y283 HydrophobicContact CG2-CE2 4.13Å; I216-Y283 HydrophobicContact CG2-CG 4.32Å; E217-Y283 HydrophobicContact CB-CD2 3.82Å; E217-Y283 HydrophobicContact CB-CE2 4.16Å; E217-Y283 HydrophobicContact CG-CD2 4.26Å; E217-Y283 HydrophobicContact CG-CE2 4.45Å; G280-Y283 WeakPolarHBondContact O-CB 3.33Å; G280-Y283 WeakPolarHBondContact O-CD2 3.47Å; G280-Y283 PolarHBondContact O-N 2.9Å; N281-Y283 PolarHBondContact O-N 3.33Å; Y283-H285 VanDerWaalsContact C-N 3.33Å; Y283-A291 WeakPolarHBondContact O-CB 3.31Å; Y283-H294 HydrophobicContact CD1-CB 4.28Å; Y283-H294 VanDerWaalsContact CE1-C 3.47Å; Y283-H294 HydrophobicContact CE1-CB 3.83Å; Y283-H294 WeakPolarHBondContact CE1-O 3.3Å; Y283-H294 PolarHBondContact OH-O 3.41Å; Y283-V295 HydrophobicContact CD1-CG2 4.48Å; Y283-V295 HydrophobicContact CE1-CG2 4.23Å; Y283-P299 HydrophobicContact CE2-CB 4.02Å; Y283-L300 HydrophobicContact CE2-CB 3.8Å; Y283-L300 WeakPolarHBondContact CE2-O 3.22Å; Y283-L300 WeakPolarHBondContact OH-CG 3.28Å; Y283-L300 PolarHBondContact OH-N 3.39Å
284Y98.6Very high98.5Very high100 Ų10038.6 Ų38.639%0.39219%0.185SC..G310 helixtrans-96.412-179.1-65.5-95.8000112.3E214 N281 Q282 L302E214-Y284 HydrophobicContact CB-CD1 4.09Å; E214-Y284 HydrophobicContact CB-CD2 4.44Å; E214-Y284 HydrophobicContact CB-CE1 3.82Å; E214-Y284 HydrophobicContact CB-CE2 4.16Å; E214-Y284 HydrophobicContact CB-CG 4.41Å; E214-Y284 HydrophobicContact CG-CE1 4.27Å; N281-Y284 PolarHBondContact O-N 2.91Å; N281-Y284 VanDerWaalsContact O-N 3.15Å; Q282-Y284 VanDerWaalsContact C-N 3.25Å; Q282-Y284 PolarHBondContact O-N 3.35Å; Y284-L302 HydrophobicContact CD2-CD2 3.68Å; Y284-L302 HydrophobicContact CE2-CD1 3.99Å; Y284-L302 HydrophobicContact CE2-CD2 3.34Å; Y284-L302 HydrophobicContact CE2-CG 4.12Å
285H98.6Very high98.5Very high88 Ų8838.6 Ų38.641%0.40719%0.185SC..  trans-65.5140.7175.2-169.3-88.7000110.8Q282 Y283 D287 H290 A291Q282-H285 WeakPolarHBondContact O-CB 3.46Å; Q282-H285 PolarHBondContact O-N 2.98Å; Y283-H285 VanDerWaalsContact C-N 3.33Å; H285-D287 VanDerWaalsContact C-N 3.32Å; H285-D287 WeakPolarHBondContact ND1-CB 3.49Å; H285-D287 PolarHBondContact ND1-N 3.31Å; H285-D287 PolarHBondContact ND1-O 3.11Å; H285-D287 PolarHBondContact O-N 3.47Å; H285-H290 HydrophobicContact CB-CB 4.39Å; H285-H290 WeakPolarHBondContact CB-CD2 3.15Å; H285-H290 AromaticContact CD2-CD2 3.79Å; H285-H290 AromaticContact CG-CD2 3.39Å; H285-H290 AromaticContact CG-CG 3.67Å; H285-H290 WeakPolarHBondContact ND1-CB 3.14Å; H285-H290 AromaticContact ND1-CD2 3.86Å; H285-H290 AromaticContact ND1-CG 3.66Å; H285-A291 HydrophobicContact CB-CB 4.44Å
286Q98.3Very high98.5Very high187 Ų18738.5 Ų38.587%0.87419%0.185SC*.SBendtrans-67.6-31.1-174.9-61.9-61.4-55.200113.1W288Q286-W288 PolarHBondContact O-N 2.82Å
287D98.4Very high98.5Very high75 Ų7538.7 Ų38.740%0.40119%0.186SC..SBendtrans-79.2115.7168174.722.1000110.3H285 T289 H290 A291H285-D287 VanDerWaalsContact C-N 3.32Å; H285-D287 WeakPolarHBondContact ND1-CB 3.49Å; H285-D287 PolarHBondContact ND1-N 3.31Å; H285-D287 PolarHBondContact ND1-O 3.11Å; H285-D287 PolarHBondContact O-N 3.47Å; D287-T289 PolarHBondContact O-N 2.91Å; D287-T289 WeakPolarHBondContact OD1-CB 3.35Å; D287-T289 PolarHBondContact OD1-N 3.42Å; D287-T289 PolarHBondContact OD1-OG1 3.05Å; D287-H290 HydrophobicContact CB-CB 4.25Å; D287-H290 WeakPolarHBondContact O-CB 3.45Å; D287-H290 PolarHBondContact O-N 2.77Å; D287-H290 PolarHBondContact OD2-N 2.93Å; D287-A291 PolarHBondContact O-N 3.49Å; D287-A291 VanDerWaalsContact O-N 3.15Å
288W98.6Very high98.5Very high61 Ų6137.9 Ų37.923%0.23118%0.181CC..Hα-helixtrans-56.1-36.8177-177.195.4000112.5P213 Q286 A291 A292 R334 A335 K338 I344P213-W288 HydrophobicContact CG-CG 4.49Å; Q286-W288 PolarHBondContact O-N 2.82Å; W288-A291 PolarHBondContact O-N 3.38Å; W288-A292 HydrophobicContact CD2-CB 4.17Å; W288-A292 HydrophobicContact CE3-CB 3.98Å; W288-A292 HydrophobicContact CH2-CB 3.46Å; W288-A292 VanDerWaalsContact CH2-CB 3.46Å; W288-A292 HydrophobicContact CZ2-CB 3.71Å; W288-A292 HydrophobicContact CZ3-CB 3.63Å; W288-A292 VanDerWaalsContact O-CB 3.24Å; W288-A292 WeakPolarHBondContact O-CB 3.5Å; W288-A292 PolarHBondContact O-N 3.36Å; W288-R334 HydrophobicContact CH2-CB 4.3Å; W288-R334 WeakPolarHBondContact CH2-O 3.4Å; W288-A335 HydrophobicContact CH2-CB 4.33Å; W288-A335 HydrophobicContact CZ3-CB 4.29Å; W288-K338 HydrophobicContact CH2-CB 4.49Å; W288-K338 VanDerWaalsContact CZ2-CA 3.44Å; W288-K338 HydrophobicContact CZ2-CB 4.14Å; W288-I344 HydrophobicContact CZ2-CD1 3.91Å; W288-I344 HydrophobicContact CZ2-CG1 4.26Å
289T98.3Very high98.5Very high45 Ų4537 Ų3728%0.27618%0.176SC..Hα-helixtrans-63-47.4-178.8-59.60000110.8D287 A292 A293 T331D287-T289 PolarHBondContact O-N 2.91Å; D287-T289 WeakPolarHBondContact OD1-CB 3.35Å; D287-T289 PolarHBondContact OD1-N 3.42Å; D287-T289 PolarHBondContact OD1-OG1 3.05Å; T289-A292 PolarHBondContact O-N 3.45Å; T289-A293 WeakPolarHBondContact O-CB 3.18Å; T289-A293 PolarHBondContact O-N 2.88Å; T289-T331 HydrophobicContact CG2-CG2 3.41Å; T289-T331 VanDerWaalsContact CG2-CG2 3.41Å
290H98.6Very high98.5Very high37 Ų3735.4 Ų35.417%0.17117%0.168CC..Hα-helixtrans-58.2-48.4174.4-178.5102.1000111.8Q282 H285 D287 A293 H294 F424Q282-H290 PolarHBondContact OE1-NE2 3.44Å; H285-H290 HydrophobicContact CB-CB 4.39Å; H285-H290 WeakPolarHBondContact CB-CD2 3.15Å; H285-H290 AromaticContact CD2-CD2 3.79Å; H285-H290 AromaticContact CG-CD2 3.39Å; H285-H290 AromaticContact CG-CG 3.67Å; H285-H290 WeakPolarHBondContact ND1-CB 3.14Å; H285-H290 AromaticContact ND1-CD2 3.86Å; H285-H290 AromaticContact ND1-CG 3.66Å; D287-H290 HydrophobicContact CB-CB 4.25Å; D287-H290 WeakPolarHBondContact O-CB 3.45Å; D287-H290 PolarHBondContact O-N 2.77Å; D287-H290 PolarHBondContact OD2-N 2.93Å; H290-A293 WeakPolarHBondContact O-CB 3.49Å; H290-A293 PolarHBondContact O-N 3.29Å; H290-H294 AromaticContact CD2-CE1 3.91Å; H290-H294 AromaticContact CD2-ND1 3.98Å; H290-H294 AromaticContact CE1-CE1 3.8Å; H290-H294 AromaticContact NE2-CE1 3.49Å; H290-H294 PolarHBondContact NE2-CE1 3.05Å; H290-H294 AromaticContact NE2-ND1 3.96Å; H290-H294 PolarHBondContact O-ND1 3.34Å; H290-F424 HydrophobicContact CB-CE2 4.35Å; H290-F424 HydrophobicContact CB-CZ 4.48Å; H290-F424 AromaticContact ND1-CE2 3.99Å; H290-F424 AromaticContact ND1-CZ 3.55Å
291A98.8Very high98.5Very high1 Ų135.7 Ų35.71%0.00817%0.169CC..Hα-helixtrans-63.2-45.8-179.700000112.1P213 Q282 Y283 H285 D287 W288 A293 H294P213-A291 HydrophobicContact CB-CB 3.9Å; P213-A291 HydrophobicContact CG-CB 3.83Å; Q282-A291 WeakPolarHBondContact O-CA 3.4Å; Y283-A291 WeakPolarHBondContact O-CB 3.31Å; H285-A291 HydrophobicContact CB-CB 4.44Å; D287-A291 PolarHBondContact O-N 3.49Å; D287-A291 VanDerWaalsContact O-N 3.15Å; W288-A291 PolarHBondContact O-N 3.38Å; A291-A293 VanDerWaalsContact C-N 3.28Å; A291-A293 PolarHBondContact O-N 3.17Å; A291-H294 PolarHBondContact O-N 3.01Å
292A98.8Very high98.5Very high0 Ų034.4 Ų34.40%016%0.162CC..Hα-helixtrans-65.5-29.3178.400000113P213 W288 T289 H294 V295 R334 I344P213-A292 HydrophobicContact CG-CB 4.02Å; W288-A292 HydrophobicContact CD2-CB 4.17Å; W288-A292 HydrophobicContact CE3-CB 3.98Å; W288-A292 HydrophobicContact CH2-CB 3.46Å; W288-A292 VanDerWaalsContact CH2-CB 3.46Å; W288-A292 HydrophobicContact CZ2-CB 3.71Å; W288-A292 HydrophobicContact CZ3-CB 3.63Å; W288-A292 VanDerWaalsContact O-CB 3.24Å; W288-A292 WeakPolarHBondContact O-CB 3.5Å; W288-A292 PolarHBondContact O-N 3.36Å; T289-A292 PolarHBondContact O-N 3.45Å; A292-H294 PolarHBondContact O-N 3.36Å; A292-V295 WeakPolarHBondContact O-CB 3.4Å; A292-V295 WeakPolarHBondContact O-CG2 3.49Å; A292-V295 PolarHBondContact O-N 2.76Å; A292-R334 HydrophobicContact CB-CB 4.34Å; A292-R334 WeakPolarHBondContact O-CD 3.19Å; A292-R334 PolarHBondContact O-NH1 2.6Å; A292-I344 HydrophobicContact CB-CD1 4.25Å
293A98.4Very high98.5Very high1 Ų134.9 Ų34.91%0.00817%0.166CC..Hα-helixtrans-63.8-25.6177.300000113.3T289 H290 A291 F424 L426T289-A293 WeakPolarHBondContact O-CB 3.18Å; T289-A293 PolarHBondContact O-N 2.88Å; H290-A293 WeakPolarHBondContact O-CB 3.49Å; H290-A293 PolarHBondContact O-N 3.29Å; A291-A293 VanDerWaalsContact C-N 3.28Å; A291-A293 PolarHBondContact O-N 3.17Å; A293-F424 HydrophobicContact CB-CB 4.07Å; A293-F424 HydrophobicContact CB-CD1 3.41Å; A293-F424 VanDerWaalsContact CB-CD1 3.41Å; A293-F424 HydrophobicContact CB-CD2 3.79Å; A293-F424 HydrophobicContact CB-CE1 3.69Å; A293-F424 HydrophobicContact CB-CE2 4.04Å; A293-F424 HydrophobicContact CB-CG 3.47Å; A293-F424 VanDerWaalsContact CB-CG 3.47Å; A293-F424 HydrophobicContact CB-CZ 3.99Å; A293-L426 WeakPolarHBondContact O-CD2 3.48Å
294H98.7Very high98.5Very high3 Ų338.8 Ų38.81%0.01419%0.192CC..THydrogen-bonded Turntrans-90.7-0.3-179.6-6881.9000113.7Q282 Y283 H290 A291 A292 I296 L300 F424Q282-H294 HydrophobicContact CB-CB 3.96Å; Q282-H294 VanDerWaalsContact CB-CG 3.49Å; Y283-H294 HydrophobicContact CD1-CB 4.28Å; Y283-H294 VanDerWaalsContact CE1-C 3.47Å; Y283-H294 HydrophobicContact CE1-CB 3.83Å; Y283-H294 WeakPolarHBondContact CE1-O 3.3Å; Y283-H294 PolarHBondContact OH-O 3.41Å; H290-H294 AromaticContact CD2-CE1 3.91Å; H290-H294 AromaticContact CD2-ND1 3.98Å; H290-H294 AromaticContact CE1-CE1 3.8Å; H290-H294 AromaticContact NE2-CE1 3.49Å; H290-H294 PolarHBondContact NE2-CE1 3.05Å; H290-H294 AromaticContact NE2-ND1 3.96Å; H290-H294 PolarHBondContact O-ND1 3.34Å; A291-H294 PolarHBondContact O-N 3.01Å; A292-H294 PolarHBondContact O-N 3.36Å; H294-I296 PolarHBondContact O-N 2.97Å; H294-I296 VanDerWaalsContact O-N 3.07Å; H294-L300 HydrophobicContact CB-CD1 4.2Å; H294-F424 AromaticContact CE1-CE1 3.61Å; H294-F424 AromaticContact CE1-CZ 3.83Å
295V98.8Very high98.5Very high0 Ų038.8 Ų38.80%020%0.199CC..  trans-67.2108.9-177.8173.50000110.2P213 I216 Y283 A292 I344 G347P213-V295 HydrophobicContact CB-CG2 4.02Å; I216-V295 HydrophobicContact CG1-CG1 4.16Å; I216-V295 HydrophobicContact CG2-CG2 4.36Å; Y283-V295 HydrophobicContact CD1-CG2 4.48Å; Y283-V295 HydrophobicContact CE1-CG2 4.23Å; A292-V295 WeakPolarHBondContact O-CB 3.4Å; A292-V295 WeakPolarHBondContact O-CG2 3.49Å; A292-V295 PolarHBondContact O-N 2.76Å; V295-I344 HydrophobicContact CB-CG2 3.87Å; V295-I344 HydrophobicContact CG1-CB 4.2Å; V295-I344 HydrophobicContact CG1-CG2 3.87Å; V295-I344 HydrophobicContact CG2-CD1 4.17Å; V295-I344 HydrophobicContact CG2-CG2 4.05Å; V295-G347 PolarHBondContact O-N 3.03Å
296I98.3Very high98.5Very high2 Ų234.8 Ų34.81%0.0118%0.18CC..  trans-138.6160.1177.5-174.4162.6000108.4H294 P299 L300 V348H294-I296 PolarHBondContact O-N 2.97Å; H294-I296 VanDerWaalsContact O-N 3.07Å; I296-P299 VanDerWaalsContact O-CA 3.3Å; I296-P299 WeakPolarHBondContact O-CA 3.48Å; I296-L300 HydrophobicContact CG2-CD2 4.41Å; I296-L300 HydrophobicContact CG2-CG 4.17Å; I296-V348 HydrophobicContact CB-CG1 4.02Å; I296-V348 HydrophobicContact CD1-CG2 3.78Å
297V97.9Very high98.5Very high6 Ų626.5 Ų26.54%0.03614%0.142CC..SBendtrans-131.1137.6175-550000112.2Y163 I216 R220 H346Y163-V297 HydrophobicContact CE2-CG2 4.28Å; Y163-V297 WeakPolarHBondContact OH-CG2 3.49Å; I216-V297 HydrophobicContact CD1-CG1 4.11Å; I216-V297 HydrophobicContact CG1-CG1 4.28Å; R220-V297 VanDerWaalsContact CZ-CG1 3.47Å; R220-V297 VanDerWaalsContact NH1-CB 3.27Å; V297-H346 HydrophobicContact CG1-CB 4.16Å; V297-H346 HydrophobicContact CG2-CB 4.12Å
298P98.6Very high98.5Very high1 Ų125.7 Ų25.71%0.00614%0.143CC..SBendcis-57.5152.2-10-16.330.9000111E193 E225 N247 S249 H275E193-P298 HydrophobicContact CG-CB 4.03Å; E193-P298 HydrophobicContact CG-CG 3.8Å; E193-P298 WeakPolarHBondContact OE1-CA 3.5Å; E225-P298 HydrophobicContact CG-CG 4.28Å; N247-P298 WeakPolarHBondContact O-CD 3.22Å; S249-P298 WeakPolarHBondContact OG-CB 3.38Å; H275-P298 PolarHBondContact CE1-O 3.09Å; H275-P298 PolarHBondContact NE2-O 2.86Å
299P98.8Very high98.5Very high0 Ų026.5 Ų26.50%015%0.146CC..PPolyproline II helixtrans-70161.4-169.531-36.8000111.2I216 E217 R220 S249 Y283 I296 R301I216-P299 HydrophobicContact CG2-CB 4.27Å; E217-P299 HydrophobicContact CB-CB 4.44Å; R220-P299 HydrophobicContact CG-CG 3.97Å; S249-P299 PolarHBondContact OG-O 3.12Å; S249-P299 VanDerWaalsContact OG-O 3.08Å; Y283-P299 HydrophobicContact CE2-CB 4.02Å; I296-P299 VanDerWaalsContact O-CA 3.3Å; I296-P299 WeakPolarHBondContact O-CA 3.48Å; P299-R301 PolarHBondContact O-NE 3.19Å
300L98.9Very high98.6Very high1 Ų124.4 Ų24.41%0.00513%0.133CC..PPolyproline II helixtrans-60138164.9-58.9175.2000108.7A274 L278 G280 Y283 H294 I296A274-L300 HydrophobicContact CB-CD2 4.27Å; L278-L300 HydrophobicContact CB-CD1 3.93Å; L278-L300 HydrophobicContact CB-CD2 4.18Å; G280-L300 WeakPolarHBondContact CA-O 3.49Å; Y283-L300 HydrophobicContact CE2-CB 3.8Å; Y283-L300 WeakPolarHBondContact CE2-O 3.22Å; Y283-L300 WeakPolarHBondContact OH-CG 3.28Å; Y283-L300 PolarHBondContact OH-N 3.39Å; H294-L300 HydrophobicContact CB-CD1 4.2Å; I296-L300 HydrophobicContact CG2-CD2 4.41Å; I296-L300 HydrophobicContact CG2-CG 4.17Å
301R98.8Very high98.6Very high6 Ų622.8 Ų22.82%0.02313%0.126CC..PPolyproline II helixtrans-92.2140.6-174.2-55.1-55.7-178.4-179.2-1.5111.8R220 E225 S249 N279 G280 P299 D303 T306R220-R301 PolarHBondContact O-NH1 3.4Å; E225-R301 IonicContact OE2-CZ 3.57Å; E225-R301 IonicContact OE2-NE 3.36Å; E225-R301 IonicContact OE2-NH2 3.82Å; E225-R301 PolarHBondContact OE2-NH2 3.03Å; S249-R301 WeakPolarHBondContact O-CG 3.47Å; S249-R301 VanDerWaalsContact OG-CZ 3.29Å; S249-R301 PolarHBondContact OG-NE 2.96Å; S249-R301 PolarHBondContact OG-NH2 3.32Å; S249-R301 VanDerWaalsContact OG-NH2 3.1Å; N279-R301 CarbonylContact C-O 3.59Å; N279-R301 WeakPolarHBondContact CA-O 3.23Å; N279-R301 WeakPolarHBondContact CB-O 3.38Å; G280-R301 PolarHBondContact N-O 2.99Å; P299-R301 PolarHBondContact O-NE 3.19Å; R301-D303 VanDerWaalsContact C-N 3.28Å; R301-D303 PolarHBondContact O-N 2.84Å; R301-T306 HydrophobicContact CB-CG2 4.09Å; R301-T306 HydrophobicContact CG-CG2 4.18Å
302L98.5Very high98.6Very high55 Ų5523.9 Ų23.929%0.28814%0.138SC..SBendtrans-61.8-33.9-177.4-76.5173.3000113.5E217 Y284 P304E217-L302 HydrophobicContact CG-CG 4.24Å; E217-L302 VanDerWaalsContact OE2-CD1 3.26Å; E217-L302 WeakPolarHBondContact OE2-CD1 3.24Å; Y284-L302 HydrophobicContact CD2-CD2 3.68Å; Y284-L302 HydrophobicContact CE2-CD1 3.99Å; Y284-L302 HydrophobicContact CE2-CD2 3.34Å; Y284-L302 HydrophobicContact CE2-CG 4.12Å; L302-P304 VanDerWaalsContact O-CD 3.32Å; L302-P304 WeakPolarHBondContact O-CD 3.46Å; L302-P304 VanDerWaalsContact O-N 3.1Å
303D98.2Very high98.6Very high63 Ų6324.1 Ų24.134%0.33714%0.139SC..  trans-60.5116.1-179.5-171.5-37.5000110M251 R301 N305 T306M251-D303 HydrophobicContact CE-CB 3.85Å; M251-D303 VanDerWaalsContact CE-CG 3.44Å; M251-D303 VanDerWaalsContact CE-OD2 3.22Å; M251-D303 WeakPolarHBondContact CE-OD2 3.21Å; R301-D303 VanDerWaalsContact C-N 3.28Å; R301-D303 PolarHBondContact O-N 2.84Å; D303-N305 PolarHBondContact O-N 3.08Å; D303-N305 VanDerWaalsContact O-N 3.11Å; D303-N305 VanDerWaalsContact OD1-CB 3.23Å; D303-N305 WeakPolarHBondContact OD1-CB 3.44Å; D303-N305 PolarHBondContact OD1-N 2.87Å; D303-N305 PolarHBondContact OD1-ND2 3.36Å; D303-T306 WeakPolarHBondContact O-CB 3.37Å; D303-T306 PolarHBondContact O-N 3.48Å; D303-T306 PolarHBondContact O-OG1 2.94Å
304P97.7Very high98.6Very high82 Ų8224.1 Ų24.153%0.53214%0.139SC..THydrogen-bonded Turntrans-66.7-13.7-175.429-36.5000113.4L302 P307L302-P304 VanDerWaalsContact O-CD 3.32Å; L302-P304 WeakPolarHBondContact O-CD 3.46Å; L302-P304 VanDerWaalsContact O-N 3.1Å; P304-P307 WeakPolarHBondContact O-CD 3.39Å
305N98.3Very high98.6Very high101 Ų10125.1 Ų25.154%0.5415%0.15SC..THydrogen-bonded Turntrans-81-19.3176-58.3-59.4000112.9M251 D303 S308 Y309M251-N305 HydrophobicContact SD-CB 4.48Å; D303-N305 PolarHBondContact O-N 3.08Å; D303-N305 VanDerWaalsContact O-N 3.11Å; D303-N305 VanDerWaalsContact OD1-CB 3.23Å; D303-N305 WeakPolarHBondContact OD1-CB 3.44Å; D303-N305 PolarHBondContact OD1-N 2.87Å; D303-N305 PolarHBondContact OD1-ND2 3.36Å; N305-S308 PolarHBondContact O-N 3.04Å; N305-S308 VanDerWaalsContact O-N 3.11Å; N305-Y309 PolarHBondContact O-N 3.46Å
306T98.8Very high98.6Very high3 Ų329.7 Ų29.72%0.01817%0.174CC..Hα-helixtrans-51.5-48.9-176-52.10000112.8S249 M251 R301 D303 S308 Y309 L310S249-T306 WeakPolarHBondContact O-CG2 3.46Å; M251-T306 HydrophobicContact CG-CG2 4.14Å; R301-T306 HydrophobicContact CB-CG2 4.09Å; R301-T306 HydrophobicContact CG-CG2 4.18Å; D303-T306 WeakPolarHBondContact O-CB 3.37Å; D303-T306 PolarHBondContact O-N 3.48Å; D303-T306 PolarHBondContact O-OG1 2.94Å; T306-S308 PolarHBondContact O-N 3.21Å; T306-Y309 WeakPolarHBondContact O-CB 3.31Å; T306-Y309 PolarHBondContact O-N 2.81Å; T306-L310 HydrophobicContact CG2-CD1 3.99Å; T306-L310 HydrophobicContact CG2-CG 4.16Å; T306-L310 WeakPolarHBondContact O-CG 3.48Å; T306-L310 PolarHBondContact O-N 2.96Å
307P98.7Very high98.6Very high13 Ų1332 Ų328%0.08419%0.187CC..Hα-helixtrans-59.7-45.9178.9-27.739.9000113.2A276 L278 N279 P304 Y309 L310 M311A276-P307 CarbonylContact O-C 3.58Å; A276-P307 WeakPolarHBondContact O-CB 3.45Å; L278-P307 VanDerWaalsContact O-CG 3.26Å; L278-P307 WeakPolarHBondContact O-CG 3.41Å; N279-P307 HydrophobicContact CB-CG 4.31Å; P304-P307 WeakPolarHBondContact O-CD 3.39Å; P307-Y309 VanDerWaalsContact C-N 3.28Å; P307-Y309 PolarHBondContact O-N 2.81Å; P307-L310 PolarHBondContact O-N 2.8Å; P307-M311 WeakPolarHBondContact O-CB 2.87Å; P307-M311 PolarHBondContact O-N 2.83Å
308S98.6Very high98.6Very high58 Ų5832.6 Ų32.641%0.40619%0.19SC..Hα-helixtrans-63.7-35.3178.5-1760000111.9N305 T306 G312 K367N305-S308 PolarHBondContact O-N 3.04Å; N305-S308 VanDerWaalsContact O-N 3.11Å; T306-S308 PolarHBondContact O-N 3.21Å; S308-G312 PolarHBondContact O-N 3.43Å; S308-K367 WeakPolarHBondContact OG-CE 3.48Å; S308-K367 PolarHBondContact OG-NZ 2.77Å
309Y98.9Very high98.7Very high79 Ų7932.5 Ų32.531%0.3119%0.19SC..Hα-helixtrans-67.9-52.2175.5-172.1-102000111.7M251 D255 N305 T306 P307 M311 G312 L313M251-Y309 HydrophobicContact CB-CD1 3.72Å; M251-Y309 HydrophobicContact CB-CE1 3.9Å; M251-Y309 HydrophobicContact CB-CG 4.33Å; M251-Y309 HydrophobicContact CG-CD1 3.49Å; M251-Y309 VanDerWaalsContact CG-CD1 3.49Å; M251-Y309 HydrophobicContact CG-CE1 4.19Å; M251-Y309 HydrophobicContact CG-CG 3.75Å; M251-Y309 HydrophobicContact SD-CD1 4.28Å; M251-Y309 HydrophobicContact SD-CD2 4.44Å; M251-Y309 HydrophobicContact SD-CG 3.94Å; D255-Y309 PolarHBondContact OD1-OH 3.48Å; N305-Y309 PolarHBondContact O-N 3.46Å; T306-Y309 WeakPolarHBondContact O-CB 3.31Å; T306-Y309 PolarHBondContact O-N 2.81Å; P307-Y309 VanDerWaalsContact C-N 3.28Å; P307-Y309 PolarHBondContact O-N 2.81Å; Y309-M311 VanDerWaalsContact C-N 3.29Å; Y309-M311 PolarHBondContact O-N 3.15Å; Y309-G312 CarbonylContact O-C 3.48Å; Y309-G312 WeakPolarHBondContact O-CA 3.42Å; Y309-G312 PolarHBondContact O-N 3.4Å; Y309-L313 HydrophobicContact CD1-CD1 4.03Å; Y309-L313 HydrophobicContact CD1-CG 4.11Å; Y309-L313 HydrophobicContact CE1-CD1 3.62Å; Y309-L313 HydrophobicContact CE1-CD2 4.07Å; Y309-L313 HydrophobicContact CE1-CG 3.87Å; Y309-L313 PolarHBondContact O-N 3.06Å
310L98.9Very high98.6Very high0 Ų032.5 Ų32.50%019%0.19CC..Hα-helixtrans-60.6-38.2177.9-64.5-179.8000111.7V248 H275 T306 P307 G312 L313 L314 L319V248-L310 HydrophobicContact CG1-CD2 4.27Å; H275-L310 HydrophobicContact CB-CD1 4Å; T306-L310 HydrophobicContact CG2-CD1 3.99Å; T306-L310 HydrophobicContact CG2-CG 4.16Å; T306-L310 WeakPolarHBondContact O-CG 3.48Å; T306-L310 PolarHBondContact O-N 2.96Å; P307-L310 PolarHBondContact O-N 2.8Å; L310-G312 VanDerWaalsContact C-N 3.32Å; L310-G312 PolarHBondContact O-N 3.37Å; L310-L313 HydrophobicContact CD2-CD1 4.38Å; L310-L313 PolarHBondContact O-N 3.09Å; L310-L314 PolarHBondContact O-N 2.95Å; L310-L319 HydrophobicContact CB-CD1 4.32Å; L310-L319 HydrophobicContact CD2-CD1 3.94Å
311M98.9Very high98.6Very high3 Ų332.5 Ų32.52%0.01519%0.19CC..Hα-helixtrans-62.8-38.5172-168.964.469.400112.1A276 V277 P307 Y309 L314 G315 I358 R361 K367 M368A276-M311 HydrophobicContact CB-CE 4.17Å; V277-M311 HydrophobicContact CG1-CE 4.11Å; P307-M311 WeakPolarHBondContact O-CB 2.87Å; P307-M311 PolarHBondContact O-N 2.83Å; Y309-M311 VanDerWaalsContact C-N 3.29Å; Y309-M311 PolarHBondContact O-N 3.15Å; M311-L314 WeakPolarHBondContact O-CB 3.37Å; M311-L314 PolarHBondContact O-N 3.3Å; M311-L314 HydrophobicContact SD-CD1 4.15Å; M311-G315 PolarHBondContact O-N 2.99Å; M311-I358 HydrophobicContact CE-CD1 3.81Å; M311-R361 HydrophobicContact CE-CB 3.67Å; M311-K367 HydrophobicContact CG-CB 3.84Å; M311-K367 HydrophobicContact CG-CG 3.93Å; M311-M368 HydrophobicContact CG-CE 4.5Å; M311-M368 HydrophobicContact SD-CE 3.64Å
312G98.8Very high98.6Very high25 Ų2532.2 Ų32.226%0.25819%0.188SC..Hα-helixtrans-63.3-39.4171.600000112.9S308 Y309 L310 L314 G315 N316S308-G312 PolarHBondContact O-N 3.43Å; Y309-G312 CarbonylContact O-C 3.48Å; Y309-G312 WeakPolarHBondContact O-CA 3.42Å; Y309-G312 PolarHBondContact O-N 3.4Å; L310-G312 VanDerWaalsContact C-N 3.32Å; L310-G312 PolarHBondContact O-N 3.37Å; G312-L314 VanDerWaalsContact C-N 3.34Å; G312-G315 PolarHBondContact O-N 2.9Å; G312-N316 PolarHBondContact O-N 2.75Å; G312-N316 PolarHBondContact O-ND2 3.32Å
313L98.9Very high98.7Very high5 Ų529.6 Ų29.63%0.02618%0.175CC..Hα-helixtrans-67.8-32.2174.6-63.4-168.4000112.9Y309 L310 N316 D317 T318 L319Y309-L313 HydrophobicContact CD1-CD1 4.03Å; Y309-L313 HydrophobicContact CD1-CG 4.11Å; Y309-L313 HydrophobicContact CE1-CD1 3.62Å; Y309-L313 HydrophobicContact CE1-CD2 4.07Å; Y309-L313 HydrophobicContact CE1-CG 3.87Å; Y309-L313 PolarHBondContact O-N 3.06Å; L310-L313 HydrophobicContact CD2-CD1 4.38Å; L310-L313 PolarHBondContact O-N 3.09Å; L313-N316 WeakPolarHBondContact CA-OD1 3.38Å; L313-N316 PolarHBondContact O-OD1 3.36Å; L313-D317 PolarHBondContact O-N 3.25Å; L313-T318 HydrophobicContact CB-CG2 4.44Å; L313-T318 HydrophobicContact CD1-CG2 4.12Å; L313-T318 HydrophobicContact CD2-CG2 4.09Å; L313-T318 HydrophobicContact CG-CG2 4.46Å; L313-T318 PolarHBondContact O-N 2.93Å; L313-L319 HydrophobicContact CB-CB 4.33Å; L313-L319 HydrophobicContact CB-CD1 3.79Å; L313-L319 HydrophobicContact CB-CG 3.72Å; L313-L319 HydrophobicContact CD1-CD1 4.22Å; L313-L319 HydrophobicContact CD1-CG 4.23Å; L313-L319 PolarHBondContact O-N 3.19Å
314L98.9Very high98.7Very high0 Ų026.6 Ų26.60%016%0.159CC..Hα-helixtrans-65.9-43.8168.2-77.6169.6000111T271 A276 L310 M311 G312 N316 D317 L319 V322 M368 R372 V376T271-L314 HydrophobicContact CG2-CD1 3.69Å; T271-L314 HydrophobicContact CG2-CD2 4.03Å; T271-L314 HydrophobicContact CG2-CG 3.91Å; A276-L314 HydrophobicContact CB-CD1 4.36Å; L310-L314 PolarHBondContact O-N 2.95Å; M311-L314 WeakPolarHBondContact O-CB 3.37Å; M311-L314 PolarHBondContact O-N 3.3Å; M311-L314 HydrophobicContact SD-CD1 4.15Å; G312-L314 VanDerWaalsContact C-N 3.34Å; L314-N316 VanDerWaalsContact C-N 3.3Å; L314-N316 PolarHBondContact O-N 3.18Å; L314-D317 PolarHBondContact O-N 2.71Å; L314-L319 HydrophobicContact CD2-CB 3.84Å; L314-L319 HydrophobicContact CG-CB 4.12Å; L314-V322 HydrophobicContact CD1-CB 4.2Å; L314-V322 HydrophobicContact CD2-CB 4.34Å; L314-M368 HydrophobicContact CB-CE 3.82Å; L314-R372 PolarHBondContact O-NE 3.31Å; L314-R372 PolarHBondContact O-NH2 3.08Å; L314-V376 HydrophobicContact CB-CG1 4.48Å; L314-V376 HydrophobicContact CD2-CB 4.21Å; L314-V376 HydrophobicContact CD2-CG1 4.07Å
315G98.6Very high98.6Very high24 Ų2423.2 Ų23.225%0.24714%0.136CC..Hα-helixtrans-60.8-35.6177.700000113.6M311 G312M311-G315 PolarHBondContact O-N 2.99Å; G312-G315 PolarHBondContact O-N 2.9Å
316N98.4Very high98.7Very high97 Ų9718.4 Ų18.452%0.51911%0.11SC..THydrogen-bonded Turntrans-98.36-177.574.825.6000115.6G312 L313 L314 T318G312-N316 PolarHBondContact O-N 2.75Å; G312-N316 PolarHBondContact O-ND2 3.32Å; L313-N316 WeakPolarHBondContact CA-OD1 3.38Å; L313-N316 PolarHBondContact O-OD1 3.36Å; L314-N316 VanDerWaalsContact C-N 3.3Å; L314-N316 PolarHBondContact O-N 3.18Å; N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 3.41Å; N316-T318 WeakPolarHBondContact OD1-CB 3.47Å; N316-T318 PolarHBondContact OD1-N 3.02Å; N316-T318 PolarHBondContact OD1-OG1 2.98Å
317D98.6Very high98.6Very high50 Ų5018.9 Ų18.927%0.26711%0.112SC..THydrogen-bonded Turntrans66.314.8-179-156.257.6000116.8K261 L313 L314 L319 R372K261-D317 PolarHBondContact NZ-O 3.48Å; L313-D317 PolarHBondContact O-N 3.25Å; L314-D317 PolarHBondContact O-N 2.71Å; D317-L319 VanDerWaalsContact C-N 3.35Å; D317-R372 IonicContact OD1-CZ 3.16Å; D317-R372 IonicContact OD1-NH1 2.83Å; D317-R372 PolarHBondContact OD1-NH1 2.64Å; D317-R372 IonicContact OD1-NH2 3.64Å; D317-R372 PolarHBondContact OD1-NH2 3.24Å
318T98.8Very high98.6Very high18 Ų1818.3 Ų18.311%0.1111%0.108CC..SBendtrans-63.6-45.6163.7-61.10000110.1I257 A258 K261 L313 N316I257-T318 HydrophobicContact CB-CG2 4.43Å; I257-T318 HydrophobicContact CG2-CG2 4Å; A258-T318 HydrophobicContact CB-CG2 3.84Å; K261-T318 PolarHBondContact NZ-O 3.13Å; L313-T318 HydrophobicContact CB-CG2 4.44Å; L313-T318 HydrophobicContact CD1-CG2 4.12Å; L313-T318 HydrophobicContact CD2-CG2 4.09Å; L313-T318 HydrophobicContact CG-CG2 4.46Å; L313-T318 PolarHBondContact O-N 2.93Å; N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 3.41Å; N316-T318 WeakPolarHBondContact OD1-CB 3.47Å; N316-T318 PolarHBondContact OD1-N 3.02Å; N316-T318 PolarHBondContact OD1-OG1 2.98Å
319L98.9Very high98.6Very high0 Ų015.7 Ų15.70%09%0.09CC..SBendtrans-98.4130.3165.2-58.4176.6000108.4V248 I257 A269 T271 L310 L313 L314 D317 R372V248-L319 HydrophobicContact CB-CD2 4.08Å; V248-L319 HydrophobicContact CG1-CD2 4.09Å; V248-L319 HydrophobicContact CG2-CD2 4.06Å; I257-L319 HydrophobicContact CD1-CD2 4.23Å; A269-L319 HydrophobicContact CB-CD2 3.57Å; T271-L319 HydrophobicContact CG2-CD1 3.9Å; L310-L319 HydrophobicContact CB-CD1 4.32Å; L310-L319 HydrophobicContact CD2-CD1 3.94Å; L313-L319 HydrophobicContact CB-CB 4.33Å; L313-L319 HydrophobicContact CB-CD1 3.79Å; L313-L319 HydrophobicContact CB-CG 3.72Å; L313-L319 HydrophobicContact CD1-CD1 4.22Å; L313-L319 HydrophobicContact CD1-CG 4.23Å; L313-L319 PolarHBondContact O-N 3.19Å; L314-L319 HydrophobicContact CD2-CB 3.84Å; L314-L319 HydrophobicContact CG-CB 4.12Å; D317-L319 VanDerWaalsContact C-N 3.35Å; L319-R372 PolarHBondContact O-NH2 2.91Å
320S98.4Very high98.5Very high0 Ų012.7 Ų12.70%08%0.08CC..  trans-98.1-25.9-168.4-64.10000113.1K261 H268 A269 N380K261-S320 PolarHBondContact NZ-OG 3.01Å; H268-S320 PolarHBondContact ND1-OG 3.05Å; A269-S320 PolarHBondContact O-N 2.92Å; S320-N380 VanDerWaalsContact O-CB 3.29Å; S320-N380 WeakPolarHBondContact O-CB 3.44Å; S320-N380 PolarHBondContact O-ND2 3.49Å
321V98.9Very high98.5Very high0 Ų014.1 Ų14.10%09%0.089CC..EExtended strand (participates in β ladder)trans-142.2149.1-172.7-179.30000110.2T65 Y244 A269 E270 T271 V376 N380 A381 I384T65-V321 HydrophobicContact CG2-CG1 3.98Å; T65-V321 VanDerWaalsContact OG1-CG1 3.28Å; T65-V321 WeakPolarHBondContact OG1-CG1 3.28Å; Y244-V321 WeakPolarHBondContact OH-CB 3.48Å; A269-V321 PolarHBondContact O-N 2.82Å; E270-V321 WeakPolarHBondContact CA-O 3.43Å; T271-V321 PolarHBondContact N-O 2.87Å; V321-V376 WeakPolarHBondContact CA-O 3.41Å; V321-N380 HydrophobicContact CG2-CB 3.99Å; V321-A381 HydrophobicContact CG1-CB 4.42Å; V321-A381 HydrophobicContact CG2-CB 4.42Å; V321-I384 HydrophobicContact CG2-CD1 4.08Å
322V98.9Very high98.5Very high0 Ų022.5 Ų22.50%013%0.125CC..EExtended strand (participates in β ladder)trans-116.5121.7166.961.60000111.1T271 V273 L314 R354 I358 V376 T377T271-V322 WeakPolarHBondContact O-CA 3.49Å; V273-V322 HydrophobicContact CB-CG2 4.39Å; L314-V322 HydrophobicContact CD1-CB 4.2Å; L314-V322 HydrophobicContact CD2-CB 4.34Å; V322-R354 PolarHBondContact O-NH1 2.82Å; V322-I358 HydrophobicContact CG1-CD1 4.48Å; V322-I358 HydrophobicContact CG1-CG1 4Å; V322-I358 HydrophobicContact CG1-CG2 4.27Å; V322-I358 HydrophobicContact CG2-CD1 3.76Å; V322-I358 HydrophobicContact CG2-CG1 3.92Å; V322-V376 HydrophobicContact CG1-CB 4.47Å; V322-V376 HydrophobicContact CG1-CG2 4.19Å; V322-V376 PolarHBondContact N-O 2.65Å; V322-V376 VanDerWaalsContact N-O 3.09Å; V322-T377 HydrophobicContact CG1-CG2 4.07Å
323A98.8Very high98.4Very high0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-106.8168.9177.500000111.6D64 C66 E270 T271 T272 V273D64-A323 WeakPolarHBondContact OD1-CA 3.43Å; C66-A323 HydrophobicContact CB-CB 4.02Å; E270-A323 VanDerWaalsContact CD-CB 3.42Å; E270-A323 HydrophobicContact CG-CB 3.81Å; T271-A323 PolarHBondContact O-N 2.84Å; T272-A323 CarbonylContact C-O 3.55Å; T272-A323 VanDerWaalsContact CA-O 3.24Å; T272-A323 WeakPolarHBondContact CA-O 3.21Å; V273-A323 PolarHBondContact N-O 2.94Å
324S98.6Very high98.4Very high0 Ų023.2 Ų23.20%012%0.121CC..  trans-84.7-34.5170.560.90000113.6D64 H326 G350D64-S324 VanDerWaalsContact CG-OG 3.29Å; D64-S324 PolarHBondContact OD1-N 3.27Å; D64-S324 PolarHBondContact OD1-OG 3.38Å; D64-S324 WeakPolarHBondContact OD2-CB 3.34Å; D64-S324 PolarHBondContact OD2-N 3.41Å; D64-S324 PolarHBondContact OD2-OG 2.9Å; S324-H326 PolarHBondContact O-N 2.99Å; S324-H326 WeakPolarHBondContact OG-CB 3.33Å; S324-H326 PolarHBondContact OG-N 3.38Å; S324-H326 VanDerWaalsContact OG-N 3.16Å; S324-G350 VanDerWaalsContact CB-C 3.46Å
325E97Very high98.4Very high12 Ų1224.9 Ų24.96%0.05614%0.135CC..  trans47.649.9-159.7-139.2-63.6-163.400109.6C66 H68 N247 T272 R327C66-E325 VanDerWaalsContact O-CA 3.29Å; C66-E325 WeakPolarHBondContact O-CA 3.44Å; C66-E325 PolarHBondContact O-N 3.42Å; H68-E325 VanDerWaalsContact CD2-CD 3.49Å; H68-E325 IonicContact CD2-OE1 2.82Å; H68-E325 IonicContact CD2-OE2 2.77Å; H68-E325 PolarHBondContact CD2-OE2 2.83Å; H68-E325 IonicContact NE2-OE1 3.33Å; H68-E325 PolarHBondContact NE2-OE1 3.38Å; H68-E325 IonicContact NE2-OE2 2.81Å; H68-E325 PolarHBondContact NE2-OE2 3.46Å; N247-E325 WeakPolarHBondContact ND2-CG 3.31Å; T272-E325 HydrophobicContact CG2-CB 3.74Å; T272-E325 HydrophobicContact CG2-CG 4.47Å; E325-R327 PolarHBondContact O-N 3.41Å; E325-R327 VanDerWaalsContact O-N 3.17Å; E325-R327 IonicContact OE1-CZ 2.99Å; E325-R327 IonicContact OE1-NE 3.82Å; E325-R327 IonicContact OE1-NH2 3.96Å; E325-R327 PolarHBondContact OE1-NH2 2.79Å; E325-R327 IonicContact OE2-CZ 3.8Å; E325-R327 IonicContact OE2-NE 3.75Å; E325-R327 PolarHBondContact OE2-NE 3.48Å; E325-R327 IonicContact OE2-NH2 2.89Å
326H98.8Very high98.4Very high0 Ų028.2 Ų28.20%015%0.147CC..BIsolated β-bridgetrans-73.4115.1-174.917491.1000109.8V67 H68 D80 S324 P328 V348 G350 V351V67-H326 HydrophobicContact CG1-CB 4.28Å; H68-H326 PolarHBondContact N-O 2.87Å; H68-H326 VanDerWaalsContact O-O 3.13Å; D80-H326 IonicContact OD2-CE1 3.19Å; D80-H326 PolarHBondContact OD2-CE1 2.86Å; D80-H326 IonicContact OD2-NE2 3Å; D80-H326 PolarHBondContact OD2-NE2 2.85Å; S324-H326 PolarHBondContact O-N 2.99Å; S324-H326 WeakPolarHBondContact OG-CB 3.33Å; S324-H326 PolarHBondContact OG-N 3.38Å; S324-H326 VanDerWaalsContact OG-N 3.16Å; H326-P328 VanDerWaalsContact CD2-CD 3.49Å; H326-P328 WeakPolarHBondContact CD2-CD 3.26Å; H326-P328 VanDerWaalsContact CE1-CD 3.49Å; H326-P328 WeakPolarHBondContact CE1-CD 3.46Å; H326-P328 WeakPolarHBondContact NE2-CD 3.41Å; H326-P328 WeakPolarHBondContact NE2-CG 3.41Å; H326-V348 WeakPolarHBondContact CA-O 3.42Å; H326-G350 PolarHBondContact ND1-N 3.23Å; H326-V351 HydrophobicContact CB-CB 3.72Å; H326-V351 HydrophobicContact CB-CG1 4.36Å; H326-V351 WeakPolarHBondContact ND1-CG1 3.47Å; H326-V351 PolarHBondContact ND1-N 3.38Å
327R98.3Very high98.4Very high12 Ų1223.6 Ų23.65%0.04512%0.122CC..  trans-150.870.2-179.2-165.9-174.1-51.5-163.96.6110.1H68 F73 I78 E325 F329 H346 G347 V348H68-R327 HydrophobicContact CB-CB 4.01Å; H68-R327 HydrophobicContact CB-CG 3.82Å; H68-R327 PolarHBondContact CD2-NE 3.19Å; H68-R327 PolarHBondContact CD2-NH2 3Å; H68-R327 PolarHBondContact CE1-NH2 2.97Å; H68-R327 VanDerWaalsContact CG-NE 3.32Å; H68-R327 PolarHBondContact ND1-NH2 3.17Å; H68-R327 PolarHBondContact NE2-NH2 3.08Å; F73-R327 VanDerWaalsContact CD1-NH1 3.29Å; F73-R327 VanDerWaalsContact CE1-NH1 3.33Å; I78-R327 HydrophobicContact CD1-CG 3.58Å; I78-R327 HydrophobicContact CG1-CG 3.76Å; E325-R327 PolarHBondContact O-N 3.41Å; E325-R327 VanDerWaalsContact O-N 3.17Å; E325-R327 IonicContact OE1-CZ 2.99Å; E325-R327 IonicContact OE1-NE 3.82Å; E325-R327 IonicContact OE1-NH2 3.96Å; E325-R327 PolarHBondContact OE1-NH2 2.79Å; E325-R327 IonicContact OE2-CZ 3.8Å; E325-R327 IonicContact OE2-NE 3.75Å; E325-R327 PolarHBondContact OE2-NE 3.48Å; E325-R327 IonicContact OE2-NH2 2.89Å; R327-F329 HydrophobicContact CG-CE2 3.77Å; R327-F329 HydrophobicContact CG-CZ 3.89Å; R327-F329 WeakPolarHBondContact O-CD2 3.5Å; R327-H346 VanDerWaalsContact CD-O 3.3Å; R327-H346 WeakPolarHBondContact CD-O 3.32Å; R327-G347 CarbonylContact O-C 3.54Å; R327-G347 VanDerWaalsContact O-C 3.23Å; R327-G347 WeakPolarHBondContact O-CA 3.18Å; R327-V348 CarbonylContact C-O 3.57Å; R327-V348 PolarHBondContact N-O 3.14Å; R327-V348 PolarHBondContact O-N 3.32Å
328P97.9Very high98.3Very high2 Ų226.9 Ų26.91%0.01313%0.134CC..  trans-72.4131.7-17428.4-36.6000112.3I78 Q79 D80 H326 A349 G421I78-P328 HydrophobicContact CG2-CG 3.95Å; Q79-P328 HydrophobicContact CB-CB 4.3Å; Q79-P328 HydrophobicContact CB-CG 4.2Å; Q79-P328 PolarHBondContact N-O 2.91Å; D80-P328 HydrophobicContact CB-CG 3.98Å; H326-P328 VanDerWaalsContact CD2-CD 3.49Å; H326-P328 WeakPolarHBondContact CD2-CD 3.26Å; H326-P328 VanDerWaalsContact CE1-CD 3.49Å; H326-P328 WeakPolarHBondContact CE1-CD 3.46Å; H326-P328 WeakPolarHBondContact NE2-CD 3.41Å; H326-P328 WeakPolarHBondContact NE2-CG 3.41Å; P328-A349 HydrophobicContact CB-CB 4.12Å; P328-G421 WeakPolarHBondContact CB-O 3.11Å
329F98.4Very high98.3Very high3 Ų332.6 Ų32.61%0.01316%0.159CC..  trans-119.1142.8166.6-61.8-71.4000109.7F73 A76 I78 R327 Q333 R334 P345 H346F73-F329 HydrophobicContact CB-CZ 4.34Å; A76-F329 HydrophobicContact CB-CD1 3.69Å; A76-F329 HydrophobicContact CB-CE1 3.66Å; I78-F329 HydrophobicContact CG1-CE1 3.99Å; I78-F329 HydrophobicContact CG1-CZ 4.02Å; R327-F329 HydrophobicContact CG-CE2 3.77Å; R327-F329 HydrophobicContact CG-CZ 3.89Å; R327-F329 WeakPolarHBondContact O-CD2 3.5Å; F329-Q333 HydrophobicContact CB-CB 4.26Å; F329-R334 HydrophobicContact CB-CG 4.21Å; F329-R334 PolarHBondContact O-NE 3.34Å; F329-P345 HydrophobicContact CB-CG 4.2Å; F329-P345 HydrophobicContact CD1-CB 4.17Å; F329-P345 HydrophobicContact CD1-CG 4.23Å; F329-P345 HydrophobicContact CD2-CB 3.8Å; F329-P345 HydrophobicContact CD2-CG 4.02Å; F329-P345 HydrophobicContact CE1-CB 4.14Å; F329-P345 HydrophobicContact CE2-CB 3.77Å; F329-P345 HydrophobicContact CE2-CG 4.49Å; F329-P345 HydrophobicContact CG-CB 4Å; F329-P345 HydrophobicContact CG-CG 3.88Å; F329-P345 HydrophobicContact CZ-CB 3.94Å; F329-H346 WeakPolarHBondContact CE2-O 3.49Å
330S98.1Very high98.3Very high15 Ų1533.7 Ų33.711%0.10517%0.165CC..  trans-68.6157.9171.862.20000111.4K332 Q333 R334 D423S330-K332 PolarHBondContact O-N 3.42Å; S330-Q333 WeakPolarHBondContact O-CB 3.25Å; S330-Q333 PolarHBondContact O-N 3.2Å; S330-Q333 VanDerWaalsContact OG-CG 3.32Å; S330-Q333 WeakPolarHBondContact OG-CG 3.4Å; S330-Q333 PolarHBondContact OG-N 3.07Å; S330-Q333 PolarHBondContact OG-OE1 3.45Å; S330-Q333 VanDerWaalsContact OG-OE1 3.05Å; S330-R334 WeakPolarHBondContact O-CG 3.49Å; S330-R334 PolarHBondContact O-N 2.89Å; S330-D423 WeakPolarHBondContact CA-OD1 3.46Å
331T98Very high98.3Very high31 Ų3133.8 Ų33.819%0.1917%0.166CC..Hα-helixtrans-54.4-39.5173.8-65.40000111.4T289 Q333 R334 A335 D423T289-T331 HydrophobicContact CG2-CG2 3.41Å; T289-T331 VanDerWaalsContact CG2-CG2 3.41Å; T331-Q333 VanDerWaalsContact C-N 3.34Å; T331-Q333 PolarHBondContact O-N 3.45Å; T331-R334 PolarHBondContact O-N 3.27Å; T331-A335 PolarHBondContact O-N 2.83Å; T331-D423 WeakPolarHBondContact CB-OD2 3.5Å; T331-D423 VanDerWaalsContact N-CG 3.32Å; T331-D423 PolarHBondContact N-OD1 3.42Å; T331-D423 PolarHBondContact N-OD2 3.19Å; T331-D423 PolarHBondContact OG1-OD1 3.14Å; T331-D423 PolarHBondContact OG1-OD2 3.31Å
332K98.2Very high98.3Very high179 Ų17936.1 Ų36.178%0.77818%0.18SC*.Hα-helixtrans-61.7-39.5176.4-68.1-177.5-179.1177.50112.9S330S330-K332 PolarHBondContact O-N 3.42Å
333Q98.3Very high98.3Very high34 Ų3441.8 Ų41.816%0.15921%0.205CC..Hα-helixtrans-71.7-37.6175.6-71.3168.7-47.600111.3A76 S77 Q79 F329 S330 T331 A335 L336A76-Q333 HydrophobicContact CB-CB 4.13Å; A76-Q333 HydrophobicContact CB-CG 4.32Å; S77-Q333 PolarHBondContact O-NE2 2.92Å; Q79-Q333 VanDerWaalsContact NE2-CD 3.34Å; F329-Q333 HydrophobicContact CB-CB 4.26Å; S330-Q333 WeakPolarHBondContact O-CB 3.25Å; S330-Q333 PolarHBondContact O-N 3.2Å; S330-Q333 VanDerWaalsContact OG-CG 3.32Å; S330-Q333 WeakPolarHBondContact OG-CG 3.4Å; S330-Q333 PolarHBondContact OG-N 3.07Å; S330-Q333 PolarHBondContact OG-OE1 3.45Å; S330-Q333 VanDerWaalsContact OG-OE1 3.05Å; T331-Q333 VanDerWaalsContact C-N 3.34Å; T331-Q333 PolarHBondContact O-N 3.45Å; Q333-A335 PolarHBondContact O-N 3Å; Q333-L336 VanDerWaalsContact O-CB 3.31Å; Q333-L336 WeakPolarHBondContact O-CB 3.38Å; Q333-L336 WeakPolarHBondContact O-CD1 3.23Å; Q333-L336 WeakPolarHBondContact O-CG 3.49Å; Q333-L336 PolarHBondContact O-N 2.94Å
334R98.4Very high98.3Very high10 Ų1041.8 Ų41.84%0.03821%0.205CC..Hα-helixtrans-60.7-37.7175-68.1176.6-173.3-77.9-3.8111.9W288 A292 F329 S330 T331 L336 G337 I344 P345 G347W288-R334 HydrophobicContact CH2-CB 4.3Å; W288-R334 WeakPolarHBondContact CH2-O 3.4Å; A292-R334 HydrophobicContact CB-CB 4.34Å; A292-R334 WeakPolarHBondContact O-CD 3.19Å; A292-R334 PolarHBondContact O-NH1 2.6Å; F329-R334 HydrophobicContact CB-CG 4.21Å; F329-R334 PolarHBondContact O-NE 3.34Å; S330-R334 WeakPolarHBondContact O-CG 3.49Å; S330-R334 PolarHBondContact O-N 2.89Å; T331-R334 PolarHBondContact O-N 3.27Å; R334-L336 PolarHBondContact O-N 3.06Å; R334-G337 PolarHBondContact O-N 3.22Å; R334-I344 HydrophobicContact CB-CG2 4.31Å; R334-I344 HydrophobicContact CG-CG2 4.43Å; R334-P345 HydrophobicContact CG-CG 4.49Å; R334-G347 PolarHBondContact NH1-O 3.42Å; R334-G347 VanDerWaalsContact NH1-O 3.13Å; R334-G347 PolarHBondContact NH2-O 3.01Å
335A98.3Very high98.3Very high36 Ų3641.8 Ų41.830%0.29821%0.205SC..G310 helixtrans-61.3-7178.300000114.8W288 T331 Q333 G337 K338W288-A335 HydrophobicContact CH2-CB 4.33Å; W288-A335 HydrophobicContact CZ3-CB 4.29Å; T331-A335 PolarHBondContact O-N 2.83Å; Q333-A335 PolarHBondContact O-N 3Å; A335-G337 PolarHBondContact O-N 3.38Å; A335-K338 WeakPolarHBondContact O-CB 3.45Å; A335-K338 WeakPolarHBondContact O-CG 3.3Å; A335-K338 PolarHBondContact O-N 3.11Å; A335-K338 VanDerWaalsContact O-N 3.13Å
336L98.1Very high98.3Very high93 Ų9341.8 Ų41.849%0.48721%0.205SC..G310 helixtrans-54.4-29.6165.2-70172.7000112.3A76 Q333 R334A76-L336 HydrophobicContact CB-CD1 4.37Å; Q333-L336 VanDerWaalsContact O-CB 3.31Å; Q333-L336 WeakPolarHBondContact O-CB 3.38Å; Q333-L336 WeakPolarHBondContact O-CD1 3.23Å; Q333-L336 WeakPolarHBondContact O-CG 3.49Å; Q333-L336 PolarHBondContact O-N 2.94Å; R334-L336 PolarHBondContact O-N 3.06Å
337G98.3Very high98.2Very high0 Ų041.8 Ų41.80%021%0.205CC..G310 helixtrans-10624.5176.200000115.3R334 A335 E339 D340R334-G337 PolarHBondContact O-N 3.22Å; A335-G337 PolarHBondContact O-N 3.38Å; G337-E339 PolarHBondContact O-N 2.74Å; G337-E339 VanDerWaalsContact O-N 3.13Å; G337-D340 CarbonylContact C-O 3.1Å; G337-D340 WeakPolarHBondContact CA-O 2.81Å; G337-D340 CarbonylContact O-C 3.51Å; G337-D340 VanDerWaalsContact O-C 3.26Å; G337-D340 PolarHBondContact O-N 3.27Å; G337-D340 VanDerWaalsContact O-N 3.13Å; G337-D340 VanDerWaalsContact O-O 3.13Å
338K98.1Very high98.2Very high120 Ų12041.3 Ų41.352%0.52220%0.203SC..THydrogen-bonded Turntrans-56.1-28.4179.764.9169.9-179.4128.20114.7W288 A335W288-K338 HydrophobicContact CH2-CB 4.49Å; W288-K338 VanDerWaalsContact CZ2-CA 3.44Å; W288-K338 HydrophobicContact CZ2-CB 4.14Å; A335-K338 WeakPolarHBondContact O-CB 3.45Å; A335-K338 WeakPolarHBondContact O-CG 3.3Å; A335-K338 PolarHBondContact O-N 3.11Å; A335-K338 VanDerWaalsContact O-N 3.13Å
339E98.3Very high98.2Very high137 Ų13741.5 Ų41.564%0.6421%0.205SC*.THydrogen-bonded Turntrans-1152.9-178.4-77.2164-155.500111.8S211 G337S211-E339 VanDerWaalsContact CB-O 3.32Å; S211-E339 WeakPolarHBondContact CB-O 3.49Å; G337-E339 PolarHBondContact O-N 2.74Å; G337-E339 VanDerWaalsContact O-N 3.13Å
340D98.6Very high98.2Very high24 Ų2441.4 Ų41.413%0.12821%0.205CC..  trans-164.2100.8-174.6-179.8-10.4000109G337 T342 K343G337-D340 CarbonylContact C-O 3.1Å; G337-D340 WeakPolarHBondContact CA-O 2.81Å; G337-D340 CarbonylContact O-C 3.51Å; G337-D340 VanDerWaalsContact O-C 3.26Å; G337-D340 PolarHBondContact O-N 3.27Å; G337-D340 VanDerWaalsContact O-N 3.13Å; G337-D340 VanDerWaalsContact O-O 3.13Å; D340-T342 VanDerWaalsContact CG-OG1 3.3Å; D340-T342 PolarHBondContact O-N 3.04Å; D340-T342 WeakPolarHBondContact OD1-CB 3.45Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.44Å; D340-T342 PolarHBondContact OD1-N 3.29Å; D340-T342 PolarHBondContact OD1-OG1 3.12Å; D340-T342 PolarHBondContact OD2-OG1 2.97Å; D340-K343 HydrophobicContact CB-CD 4.18Å; D340-K343 HydrophobicContact CB-CG 4.4Å; D340-K343 PolarHBondContact O-N 3.21Å; D340-K343 WeakPolarHBondContact OD2-CE 3.28Å; D340-K343 IonicContact OD2-NZ 3.38Å; D340-K343 PolarHBondContact OD2-NZ 3.13Å
341F98.8Very high98.2Very high2 Ų240.8 Ų40.81%0.00920%0.2CC..G310 helixtrans-58.2-24.3-176.576.1-91.8000113.6A202 A205 L206 S211 G212 G215 I216 S219 K343 I344A202-F341 HydrophobicContact CB-CE2 4.49Å; A202-F341 HydrophobicContact CB-CZ 4.16Å; A205-F341 HydrophobicContact CB-CE1 3.98Å; A205-F341 HydrophobicContact CB-CZ 4.12Å; L206-F341 HydrophobicContact CD2-CD1 4.02Å; L206-F341 HydrophobicContact CD2-CE1 3.91Å; L206-F341 HydrophobicContact CG-CE1 3.97Å; S211-F341 PolarHBondContact O-N 3.31Å; S211-F341 VanDerWaalsContact O-N 3.12Å; G212-F341 VanDerWaalsContact O-CB 3.23Å; G212-F341 WeakPolarHBondContact O-CB 3.34Å; G215-F341 VanDerWaalsContact O-CE2 3.32Å; G215-F341 WeakPolarHBondContact O-CE2 3.24Å; G215-F341 WeakPolarHBondContact O-CZ 3.26Å; I216-F341 HydrophobicContact CB-CD2 4.23Å; I216-F341 HydrophobicContact CD1-CD2 4.16Å; I216-F341 HydrophobicContact CD1-CE2 4.36Å; S219-F341 WeakPolarHBondContact OG-CE2 3.36Å; F341-K343 PolarHBondContact O-N 2.94Å; F341-I344 HydrophobicContact CB-CD1 4.17Å; F341-I344 WeakPolarHBondContact O-CB 3.48Å; F341-I344 PolarHBondContact O-N 3.13Å; F341-I344 VanDerWaalsContact O-N 3.1Å
342T98.4Very high98.2Very high49 Ų4940 Ų4030%0.30119%0.194SC..G310 helixtrans-67.9-15.7178.874.20000112.7M74 A202 L206 D340M74-T342 WeakPolarHBondContact CE-O 3.34Å; A202-T342 HydrophobicContact CB-CG2 4.02Å; L206-T342 HydrophobicContact CD1-CG2 3.84Å; L206-T342 HydrophobicContact CG-CG2 4.48Å; D340-T342 VanDerWaalsContact CG-OG1 3.3Å; D340-T342 PolarHBondContact O-N 3.04Å; D340-T342 WeakPolarHBondContact OD1-CB 3.45Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.44Å; D340-T342 PolarHBondContact OD1-N 3.29Å; D340-T342 PolarHBondContact OD1-OG1 3.12Å; D340-T342 PolarHBondContact OD2-OG1 2.97Å
343K98.6Very high98.3Very high118 Ų11831.5 Ų31.551%0.51316%0.157SC..G310 helixtrans-99.3-0.3176.7-63.5177.9-179.6122.10113.2D340 F341 P345D340-K343 HydrophobicContact CB-CD 4.18Å; D340-K343 HydrophobicContact CB-CG 4.4Å; D340-K343 PolarHBondContact O-N 3.21Å; D340-K343 WeakPolarHBondContact OD2-CE 3.28Å; D340-K343 IonicContact OD2-NZ 3.38Å; D340-K343 PolarHBondContact OD2-NZ 3.13Å; F341-K343 PolarHBondContact O-N 2.94Å; K343-P345 WeakPolarHBondContact O-CD 3.36Å
344I98.7Very high98.3Very high1 Ų129.9 Ų29.91%0.00515%0.15CC..SBendtrans-72.8119.7171.4-57.3174000107.3M74 P213 W288 A292 V295 R334 F341 H346M74-I344 WeakPolarHBondContact CE-O 3.16Å; P213-I344 HydrophobicContact CB-CD1 4.24Å; P213-I344 HydrophobicContact CG-CD1 4.01Å; W288-I344 HydrophobicContact CZ2-CD1 3.91Å; W288-I344 HydrophobicContact CZ2-CG1 4.26Å; A292-I344 HydrophobicContact CB-CD1 4.25Å; V295-I344 HydrophobicContact CB-CG2 3.87Å; V295-I344 HydrophobicContact CG1-CB 4.2Å; V295-I344 HydrophobicContact CG1-CG2 3.87Å; V295-I344 HydrophobicContact CG2-CD1 4.17Å; V295-I344 HydrophobicContact CG2-CG2 4.05Å; R334-I344 HydrophobicContact CB-CG2 4.31Å; R334-I344 HydrophobicContact CG-CG2 4.43Å; F341-I344 HydrophobicContact CB-CD1 4.17Å; F341-I344 WeakPolarHBondContact O-CB 3.48Å; F341-I344 PolarHBondContact O-N 3.13Å; F341-I344 VanDerWaalsContact O-N 3.1Å; I344-H346 PolarHBondContact O-CD2 2.6Å; I344-H346 VanDerWaalsContact O-CD2 3.27Å; I344-H346 PolarHBondContact O-N 2.92Å
345P98.1Very high98.3Very high0 Ų029.4 Ų29.40%015%0.148CC..PPolyproline II helixtrans-60.6123177.826.2-35.8000110.5M74 A76 F329 R334 K343 G347M74-P345 HydrophobicContact CB-CB 4.26Å; A76-P345 HydrophobicContact CB-CB 4.03Å; A76-P345 HydrophobicContact CB-CG 4.09Å; F329-P345 HydrophobicContact CB-CG 4.2Å; F329-P345 HydrophobicContact CD1-CB 4.17Å; F329-P345 HydrophobicContact CD1-CG 4.23Å; F329-P345 HydrophobicContact CD2-CB 3.8Å; F329-P345 HydrophobicContact CD2-CG 4.02Å; F329-P345 HydrophobicContact CE1-CB 4.14Å; F329-P345 HydrophobicContact CE2-CB 3.77Å; F329-P345 HydrophobicContact CE2-CG 4.49Å; F329-P345 HydrophobicContact CG-CB 4Å; F329-P345 HydrophobicContact CG-CG 3.88Å; F329-P345 HydrophobicContact CZ-CB 3.94Å; R334-P345 HydrophobicContact CG-CG 4.49Å; K343-P345 WeakPolarHBondContact O-CD 3.36Å; P345-G347 PolarHBondContact O-N 2.95Å
346H98.1Very high98.3Very high11 Ų1127.7 Ų27.75%0.05113%0.134CC..PPolyproline II helixtrans-74124.6-179.3-46.6148.5000110.6F73 M74 Y163 V297 R327 F329 I344F73-H346 HydrophobicContact CE1-CB 4.2Å; M74-H346 HydrophobicContact SD-CB 4.35Å; Y163-H346 AromaticContact CE1-CE1 3.78Å; Y163-H346 AromaticContact CE1-ND1 3.53Å; Y163-H346 AromaticContact CZ-ND1 3.72Å; Y163-H346 PolarHBondContact OH-ND1 3.5Å; Y163-H346 VanDerWaalsContact OH-ND1 3.1Å; V297-H346 HydrophobicContact CG1-CB 4.16Å; V297-H346 HydrophobicContact CG2-CB 4.12Å; R327-H346 VanDerWaalsContact CD-O 3.3Å; R327-H346 WeakPolarHBondContact CD-O 3.32Å; F329-H346 WeakPolarHBondContact CE2-O 3.49Å; I344-H346 PolarHBondContact O-CD2 2.6Å; I344-H346 VanDerWaalsContact O-CD2 3.27Å; I344-H346 PolarHBondContact O-N 2.92Å
347G96.7Very high98.4Very high1 Ų123.3 Ų23.31%0.0111%0.111CC..  trans157.2152.5176.900000112.1V295 R327 R334 P345V295-G347 PolarHBondContact O-N 3.03Å; R327-G347 CarbonylContact O-C 3.54Å; R327-G347 VanDerWaalsContact O-C 3.23Å; R327-G347 WeakPolarHBondContact O-CA 3.18Å; R334-G347 PolarHBondContact NH1-O 3.42Å; R334-G347 VanDerWaalsContact NH1-O 3.13Å; R334-G347 PolarHBondContact NH2-O 3.01Å; P345-G347 PolarHBondContact O-N 2.95Å
348V97.9Very high98.4Very high1 Ų123.3 Ų23.31%0.00611%0.111CC..BIsolated β-bridgetrans-140164.8-179.7-59.10000110.9A274 I296 H326 R327 L426A274-V348 HydrophobicContact CB-CG2 4.36Å; I296-V348 HydrophobicContact CB-CG1 4.02Å; I296-V348 HydrophobicContact CD1-CG2 3.78Å; H326-V348 WeakPolarHBondContact CA-O 3.42Å; R327-V348 CarbonylContact C-O 3.57Å; R327-V348 PolarHBondContact N-O 3.14Å; R327-V348 PolarHBondContact O-N 3.32Å; V348-L426 HydrophobicContact CB-CD1 3.54Å; V348-L426 HydrophobicContact CB-CD2 4.48Å; V348-L426 HydrophobicContact CB-CG 4.27Å; V348-L426 HydrophobicContact CG1-CD1 3.84Å; V348-L426 HydrophobicContact CG1-CD2 4.35Å; V348-L426 HydrophobicContact CG2-CD1 3.74Å
349A97.7Very high98.4Very high7 Ų718 Ų186%0.0589%0.088CC..  trans-91.5135.5173.200000110.7P328 Q420P328-A349 HydrophobicContact CB-CB 4.12Å; A349-Q420 HydrophobicContact CB-CG 4.24Å
350G97.9Very high98.4Very high0 Ų012.7 Ų12.70%06%0.063CC..  trans-158.6-0.6169.700000117S324 H326 Q352 D353 R354S324-G350 VanDerWaalsContact CB-C 3.46Å; H326-G350 PolarHBondContact ND1-N 3.23Å; G350-Q352 VanDerWaalsContact C-N 3.31Å; G350-Q352 PolarHBondContact O-N 3.34Å; G350-D353 PolarHBondContact O-N 3.5Å; G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 PolarHBondContact O-N 2.82Å
351V98.7Very high98.5Very high2 Ų216.3 Ų16.31%0.0128%0.075CC..THydrogen-bonded Turntrans-62.2-36.6-171.772.10000112.7V67 A88 A89 V97 H326 Q420V67-V351 HydrophobicContact CG1-CG2 4.17Å; A88-V351 HydrophobicContact CB-CG1 3.71Å; A89-V351 HydrophobicContact CB-CG2 3.64Å; V97-V351 HydrophobicContact CG1-CG2 4.49Å; H326-V351 HydrophobicContact CB-CB 3.72Å; H326-V351 HydrophobicContact CB-CG1 4.36Å; H326-V351 WeakPolarHBondContact ND1-CG1 3.47Å; H326-V351 PolarHBondContact ND1-N 3.38Å; V351-Q420 HydrophobicContact CG1-CB 4.45Å
352Q98.7Very high98.5Very high14 Ų1416.2 Ų16.27%0.0657%0.074CC..THydrogen-bonded Turntrans-75.8-35.6178.5-174.6177.7-7.600112.1A88 G92 G350 V419 Q420A88-Q352 HydrophobicContact CB-CB 4.24Å; A88-Q352 WeakPolarHBondContact O-CA 3.42Å; G92-Q352 WeakPolarHBondContact CA-O 3.36Å; G350-Q352 VanDerWaalsContact C-N 3.31Å; G350-Q352 PolarHBondContact O-N 3.34Å; Q352-V419 HydrophobicContact CG-CG2 4.48Å; Q352-Q420 HydrophobicContact CB-CB 4.3Å; Q352-Q420 HydrophobicContact CB-CG 4.45Å
353D98.6Very high98.5Very high1 Ų115.1 Ų15.11%0.0057%0.068CC..THydrogen-bonded Turntrans-93.4-18.4-167.6-65.9-49.6000113.6G350 M355 S356 V357 R411 I413 Q420 N425 Y427G350-D353 PolarHBondContact O-N 3.5Å; D353-M355 VanDerWaalsContact C-N 3.33Å; D353-M355 PolarHBondContact O-N 3.46Å; D353-M355 VanDerWaalsContact O-N 3.13Å; D353-S356 PolarHBondContact O-N 2.87Å; D353-V357 HydrophobicContact CB-CG2 3.94Å; D353-V357 WeakPolarHBondContact O-CB 3.45Å; D353-V357 WeakPolarHBondContact O-CG2 3.3Å; D353-V357 PolarHBondContact O-N 3.43Å; D353-R411 IonicContact OD1-CZ 3.88Å; D353-R411 IonicContact OD1-NH1 2.79Å; D353-R411 PolarHBondContact OD1-NH1 2.96Å; D353-R411 IonicContact OD1-NH2 2.67Å; D353-R411 PolarHBondContact OD1-NH2 2.93Å; D353-I413 HydrophobicContact CB-CD1 4.15Å; D353-Q420 PolarHBondContact OD2-NE2 3.41Å; D353-Q420 VanDerWaalsContact OD2-NE2 3.11Å; D353-N425 PolarHBondContact OD2-ND2 2.81Å; D353-Y427 HydrophobicContact CB-CD2 3.81Å; D353-Y427 HydrophobicContact CB-CE2 4.03Å
354R98.8Very high98.5Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-43-52.6-175.1-172-178.168.61013.9113.5I63 D64 T94 V273 V322 G350 I358 T377I63-R354 PolarHBondContact O-NH1 3.08Å; I63-R354 PolarHBondContact O-NH2 2.94Å; D64-R354 IonicContact OD2-NE 3.48Å; T94-R354 PolarHBondContact OG1-NH2 3.34Å; V273-R354 HydrophobicContact CB-CG 4.34Å; V322-R354 PolarHBondContact O-NH1 2.82Å; G350-R354 WeakPolarHBondContact O-CB 3.32Å; G350-R354 PolarHBondContact O-N 2.82Å; R354-I358 WeakPolarHBondContact O-CB 3.41Å; R354-I358 WeakPolarHBondContact O-CG1 3.28Å; R354-I358 PolarHBondContact O-N 2.88Å; R354-I358 VanDerWaalsContact O-N 3.08Å; R354-T377 PolarHBondContact NH1-O 3.47Å; R354-T377 PolarHBondContact NH2-O 3.23Å
355M98.8Very high98.5Very high1 Ų116.4 Ų16.41%0.0059%0.085CC..Hα-helixtrans-69.3-48.5-174.2-65.9-164.169.700112.7G92 D353 I358 W359 F373 W405G92-M355 WeakPolarHBondContact O-CB 3.09Å; D353-M355 VanDerWaalsContact C-N 3.33Å; D353-M355 PolarHBondContact O-N 3.46Å; D353-M355 VanDerWaalsContact O-N 3.13Å; M355-I358 PolarHBondContact O-N 2.83Å; M355-W359 WeakPolarHBondContact O-CB 3.25Å; M355-W359 PolarHBondContact O-N 2.9Å; M355-F373 HydrophobicContact CB-CZ 4.19Å; M355-F373 HydrophobicContact CE-CE1 3.77Å; M355-F373 HydrophobicContact CE-CZ 3.76Å; M355-F373 WeakPolarHBondContact O-CE2 3.26Å; M355-W405 HydrophobicContact CB-CH2 3.88Å; M355-W405 HydrophobicContact CB-CZ3 3.99Å
356S98.8Very high98.5Very high0 Ų019.5 Ų19.50%012%0.117CC..Hα-helixtrans-67.8-38.4-179.6-62.40000112.2D353 W359 E360 R411 G434D353-S356 PolarHBondContact O-N 2.87Å; S356-W359 PolarHBondContact O-N 3.35Å; S356-E360 WeakPolarHBondContact O-CB 3.22Å; S356-E360 PolarHBondContact O-N 3.25Å; S356-R411 PolarHBondContact OG-NE 3.33Å; S356-R411 VanDerWaalsContact OG-NE 3.14Å; S356-R411 PolarHBondContact OG-NH2 3.09Å; S356-G434 WeakPolarHBondContact CB-O 2.96Å; S356-G434 PolarHBondContact OG-O 3.01Å
357V98.9Very high98.5Very high0 Ų023.2 Ų23.20%013%0.133CC..Hα-helixtrans-66.9-41.8179.8171.10000110.8V273 V277 D353 E360 R361 I413 Y427 M430V273-V357 HydrophobicContact CG2-CB 3.82Å; V273-V357 HydrophobicContact CG2-CG1 3.47Å; V273-V357 VanDerWaalsContact CG2-CG1 3.47Å; V277-V357 HydrophobicContact CB-CG1 4.16Å; V277-V357 HydrophobicContact CG1-CG1 3.7Å; V277-V357 HydrophobicContact CG2-CG1 3.75Å; D353-V357 HydrophobicContact CB-CG2 3.94Å; D353-V357 WeakPolarHBondContact O-CB 3.45Å; D353-V357 WeakPolarHBondContact O-CG2 3.3Å; D353-V357 PolarHBondContact O-N 3.43Å; V357-E360 PolarHBondContact O-N 3.5Å; V357-R361 WeakPolarHBondContact O-CB 3.47Å; V357-R361 WeakPolarHBondContact O-CG 3.31Å; V357-R361 PolarHBondContact O-N 3.45Å; V357-I413 HydrophobicContact CG2-CD1 3.42Å; V357-I413 VanDerWaalsContact CG2-CD1 3.42Å; V357-Y427 HydrophobicContact CG1-CD1 4.29Å; V357-Y427 HydrophobicContact CG1-CE1 4.23Å; V357-Y427 HydrophobicContact CG2-CD1 4.28Å; V357-Y427 HydrophobicContact CG2-CD2 4.07Å; V357-Y427 HydrophobicContact CG2-CE2 4.49Å; V357-Y427 HydrophobicContact CG2-CG 3.96Å; V357-M430 HydrophobicContact CG1-SD 4.39Å; V357-M430 HydrophobicContact CG2-SD 4.4Å
358I98.9Very high98.6Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-71.6-33.8175.7-63-60.9000111.7V273 A276 V277 M311 V322 R354 M355 G362 F373V273-I358 HydrophobicContact CB-CD1 4.38Å; V273-I358 HydrophobicContact CB-CG1 4.49Å; V273-I358 HydrophobicContact CG2-CD1 4.12Å; V273-I358 HydrophobicContact CG2-CG1 4.2Å; A276-I358 HydrophobicContact CB-CD1 4.21Å; V277-I358 HydrophobicContact CG1-CD1 4.36Å; M311-I358 HydrophobicContact CE-CD1 3.81Å; V322-I358 HydrophobicContact CG1-CD1 4.48Å; V322-I358 HydrophobicContact CG1-CG1 4Å; V322-I358 HydrophobicContact CG1-CG2 4.27Å; V322-I358 HydrophobicContact CG2-CD1 3.76Å; V322-I358 HydrophobicContact CG2-CG1 3.92Å; R354-I358 WeakPolarHBondContact O-CB 3.41Å; R354-I358 WeakPolarHBondContact O-CG1 3.28Å; R354-I358 PolarHBondContact O-N 2.88Å; R354-I358 VanDerWaalsContact O-N 3.08Å; M355-I358 PolarHBondContact O-N 2.83Å; I358-G362 VanDerWaalsContact O-CA 3.26Å; I358-G362 WeakPolarHBondContact O-CA 3.48Å; I358-G362 PolarHBondContact O-N 3.22Å; I358-F373 HydrophobicContact CB-CE2 4.27Å; I358-F373 HydrophobicContact CG2-CD2 4.03Å; I358-F373 HydrophobicContact CG2-CE2 4.1Å
359W98.9Very high98.6Very high9 Ų928.2 Ų28.23%0.03416%0.159CC..Iπ-helixtrans-60.8-51.8171.4-177.7-85.4000111.3L57 M355 S356 R361 V363 V364 E370 F373 W405 P407L57-W359 HydrophobicContact CD1-CH2 3.43Å; L57-W359 VanDerWaalsContact CD1-CH2 3.43Å; L57-W359 HydrophobicContact CD1-CZ2 4.25Å; L57-W359 HydrophobicContact CD1-CZ3 4.06Å; M355-W359 WeakPolarHBondContact O-CB 3.25Å; M355-W359 PolarHBondContact O-N 2.9Å; S356-W359 PolarHBondContact O-N 3.35Å; W359-R361 PolarHBondContact O-N 3.38Å; W359-V363 HydrophobicContact CD2-CB 4.05Å; W359-V363 HydrophobicContact CD2-CG1 4.34Å; W359-V363 HydrophobicContact CD2-CG2 4.13Å; W359-V363 HydrophobicContact CE3-CB 4.21Å; W359-V363 HydrophobicContact CE3-CG1 4.41Å; W359-V363 HydrophobicContact CE3-CG2 3.82Å; W359-V363 HydrophobicContact CG-CB 4.43Å; W359-V363 HydrophobicContact CH2-CG1 3.94Å; W359-V363 HydrophobicContact CZ2-CB 4.47Å; W359-V363 HydrophobicContact CZ2-CG1 3.88Å; W359-V363 HydrophobicContact CZ3-CB 4.48Å; W359-V363 HydrophobicContact CZ3-CG1 4.23Å; W359-V363 HydrophobicContact CZ3-CG2 4.09Å; W359-V363 WeakPolarHBondContact O-CA 3.32Å; W359-V363 WeakPolarHBondContact O-CB 3.33Å; W359-V363 PolarHBondContact O-N 3.04Å; W359-V364 PolarHBondContact O-N 3.5Å; W359-E370 HydrophobicContact CH2-CB 4.02Å; W359-E370 HydrophobicContact CZ3-CB 4.13Å; W359-F373 HydrophobicContact CB-CD2 4.49Å; W359-F373 HydrophobicContact CB-CE2 3.93Å; W359-F373 HydrophobicContact CB-CZ 4.33Å; W359-F373 AromaticContact CE3-CD1 3.8Å; W359-F373 HydrophobicContact CE3-CD1 3.8Å; W359-F373 HydrophobicContact CE3-CD2 4.09Å; W359-F373 AromaticContact CE3-CE1 3.87Å; W359-F373 HydrophobicContact CE3-CE1 3.87Å; W359-F373 HydrophobicContact CE3-CE2 4.16Å; W359-F373 AromaticContact CE3-CG 3.91Å; W359-F373 HydrophobicContact CE3-CG 3.91Å; W359-F373 HydrophobicContact CE3-CZ 4.05Å; W359-F373 AromaticContact CZ3-CD1 3.99Å; W359-F373 HydrophobicContact CZ3-CD1 3.99Å; W359-F373 HydrophobicContact CZ3-CE1 4.35Å; W359-F373 HydrophobicContact CZ3-CG 4.27Å; W359-W405 HydrophobicContact CB-CZ2 3.69Å; W359-W405 AromaticContact CD2-CE2 3.93Å; W359-W405 AromaticContact CD2-CZ2 4Å; W359-W405 HydrophobicContact CD2-CZ2 4Å; W359-W405 AromaticContact CD2-NE1 3.34Å; W359-W405 VanDerWaalsContact CD2-NE1 3.34Å; W359-W405 AromaticContact CE2-NE1 3.54Å; W359-W405 HydrophobicContact CE3-CZ2 4.26Å; W359-W405 AromaticContact CE3-NE1 3.46Å; W359-W405 AromaticContact CG-CZ2 3.74Å; W359-W405 HydrophobicContact CG-CZ2 3.74Å; W359-W405 AromaticContact CG-NE1 3.92Å; W359-W405 AromaticContact CH2-NE1 4Å; W359-W405 AromaticContact CZ2-NE1 3.88Å; W359-W405 AromaticContact CZ3-NE1 3.79Å; W359-P407 HydrophobicContact CH2-CB 4.28Å; W359-P407 HydrophobicContact CZ2-CB 3.54Å
360E98.8Very high98.7Very high25 Ų2530.3 Ų30.312%0.11717%0.168CC..Iπ-helixtrans-61-44179.6179.562.1-156.900111.9S356 V357 V364 T365 C432 H433S356-E360 WeakPolarHBondContact O-CB 3.22Å; S356-E360 PolarHBondContact O-N 3.25Å; V357-E360 PolarHBondContact O-N 3.5Å; E360-V364 WeakPolarHBondContact O-CB 3.3Å; E360-T365 WeakPolarHBondContact O-CG2 3.47Å; E360-C432 HydrophobicContact CB-CB 4.02Å; E360-C432 HydrophobicContact CG-CB 4.41Å; E360-H433 IonicContact OE1-ND1 2.88Å; E360-H433 IonicContact OE2-CE1 2.83Å; E360-H433 IonicContact OE2-CG 2.69Å; E360-H433 PolarHBondContact OE2-N 3Å; E360-H433 IonicContact OE2-ND1 3.71Å; E360-H433 PolarHBondContact OE2-ND1 2.62Å
361R98.7Very high98.7Very high101 Ų10131.6 Ų31.638%0.38118%0.175SC..Iπ-helixtrans-88.5-21.1-174.9-62.5-58.1-170-164.52114.3V277 M311 V357 W359 T365V277-R361 HydrophobicContact CB-CG 4.09Å; V277-R361 HydrophobicContact CG1-CB 3.79Å; V277-R361 HydrophobicContact CG1-CG 3.63Å; M311-R361 HydrophobicContact CE-CB 3.67Å; V357-R361 WeakPolarHBondContact O-CB 3.47Å; V357-R361 WeakPolarHBondContact O-CG 3.31Å; V357-R361 PolarHBondContact O-N 3.45Å; W359-R361 PolarHBondContact O-N 3.38Å; R361-T365 PolarHBondContact O-OG1 3.33Å
362G98.8Very high98.7Very high0 Ų033.4 Ų33.40%018%0.181CC..Iπ-helixtrans-102.4-55.8-178.700000113.3I358 T365 K367 M368I358-G362 VanDerWaalsContact O-CA 3.26Å; I358-G362 WeakPolarHBondContact O-CA 3.48Å; I358-G362 PolarHBondContact O-N 3.22Å; G362-T365 PolarHBondContact O-OG1 3.29Å; G362-K367 WeakPolarHBondContact O-CA 3.23Å; G362-K367 WeakPolarHBondContact O-CB 3.44Å; G362-K367 PolarHBondContact O-N 3.04Å; G362-M368 PolarHBondContact O-N 3.36Å
363V98.8Very high98.8Very high26 Ų2632.7 Ų32.716%0.15818%0.178CC..Iπ-helixtrans-81.5-53.5-172.8-177.70000111.3W359 T365 G366 M368 F373W359-V363 HydrophobicContact CD2-CB 4.05Å; W359-V363 HydrophobicContact CD2-CG1 4.34Å; W359-V363 HydrophobicContact CD2-CG2 4.13Å; W359-V363 HydrophobicContact CE3-CB 4.21Å; W359-V363 HydrophobicContact CE3-CG1 4.41Å; W359-V363 HydrophobicContact CE3-CG2 3.82Å; W359-V363 HydrophobicContact CG-CB 4.43Å; W359-V363 HydrophobicContact CH2-CG1 3.94Å; W359-V363 HydrophobicContact CZ2-CB 4.47Å; W359-V363 HydrophobicContact CZ2-CG1 3.88Å; W359-V363 HydrophobicContact CZ3-CB 4.48Å; W359-V363 HydrophobicContact CZ3-CG1 4.23Å; W359-V363 HydrophobicContact CZ3-CG2 4.09Å; W359-V363 WeakPolarHBondContact O-CA 3.32Å; W359-V363 WeakPolarHBondContact O-CB 3.33Å; W359-V363 PolarHBondContact O-N 3.04Å; V363-T365 PolarHBondContact O-N 2.83Å; V363-G366 PolarHBondContact O-N 2.77Å; V363-M368 WeakPolarHBondContact CA-O 3.44Å; V363-M368 HydrophobicContact CG2-CG 4.15Å; V363-F373 HydrophobicContact CG2-CB 3.64Å; V363-F373 HydrophobicContact CG2-CD2 4.07Å; V363-F373 HydrophobicContact CG2-CG 4.05Å
364V98.8Very high98.8Very high69 Ų6932.7 Ų32.742%0.41818%0.178SC..THydrogen-bonded Turntrans-62.2-34.3-176.6177.80000111.8W359 E360 G366 H433W359-V364 PolarHBondContact O-N 3.5Å; E360-V364 WeakPolarHBondContact O-CB 3.3Å; V364-G366 VanDerWaalsContact C-N 3.27Å; V364-G366 PolarHBondContact O-N 2.8Å; V364-H433 HydrophobicContact CG2-CB 3.94Å
365T98.2Very high98.8Very high77 Ų7733 Ų3347%0.47218%0.18SC..THydrogen-bonded Turntrans-78.7-7.5176.963.10000113.8E360 R361 G362 V363 K367E360-T365 WeakPolarHBondContact O-CG2 3.47Å; R361-T365 PolarHBondContact O-OG1 3.33Å; G362-T365 PolarHBondContact O-OG1 3.29Å; V363-T365 PolarHBondContact O-N 2.83Å; T365-K367 WeakPolarHBondContact OG1-CG 3.44Å
366G98.3Very high98.8Very high65 Ų6532.9 Ų32.967%0.6718%0.18SC*.THydrogen-bonded Turntrans75.519.4-178.500000115V363 V364 M368V363-G366 PolarHBondContact O-N 2.77Å; V364-G366 VanDerWaalsContact C-N 3.27Å; V364-G366 PolarHBondContact O-N 2.8Å; G366-M368 VanDerWaalsContact C-N 3.34Å
367K98.5Very high98.8Very high89 Ų8933 Ų3339%0.38718%0.18SC..SBendtrans-74-27.5173.4-66.6-72.4-171.1175.20112.5S308 M311 G362 T365S308-K367 WeakPolarHBondContact OG-CE 3.48Å; S308-K367 PolarHBondContact OG-NZ 2.77Å; M311-K367 HydrophobicContact CG-CB 3.84Å; M311-K367 HydrophobicContact CG-CG 3.93Å; G362-K367 WeakPolarHBondContact O-CA 3.23Å; G362-K367 WeakPolarHBondContact O-CB 3.44Å; G362-K367 PolarHBondContact O-N 3.04Å; T365-K367 WeakPolarHBondContact OG1-CG 3.44Å
368M98.7Very high98.8Very high16 Ų1633 Ų338%0.07918%0.18CC..SBendtrans-151161.5174.871.5-177.869.200110.2M311 L314 G362 V363 G366 R372 F373 V376M311-M368 HydrophobicContact CG-CE 4.5Å; M311-M368 HydrophobicContact SD-CE 3.64Å; L314-M368 HydrophobicContact CB-CE 3.82Å; G362-M368 PolarHBondContact O-N 3.36Å; V363-M368 WeakPolarHBondContact CA-O 3.44Å; V363-M368 HydrophobicContact CG2-CG 4.15Å; G366-M368 VanDerWaalsContact C-N 3.34Å; M368-R372 HydrophobicContact CB-CB 3.93Å; M368-R372 HydrophobicContact CB-CG 3.79Å; M368-R372 HydrophobicContact CG-CB 4.48Å; M368-R372 HydrophobicContact CG-CG 4.44Å; M368-R372 HydrophobicContact SD-CG 4.14Å; M368-F373 HydrophobicContact SD-CB 4.33Å; M368-V376 HydrophobicContact SD-CG2 4.06Å
369D98.9Very high98.8Very high90 Ų9033 Ų3348%0.48118%0.18SC..  trans-88.6176.8171.260.925000111.9N371 R372 F373D369-N371 VanDerWaalsContact C-N 3.27Å; D369-N371 PolarHBondContact O-N 2.79Å; D369-N371 PolarHBondContact OD1-N 2.81Å; D369-R372 PolarHBondContact O-N 3.2Å; D369-R372 VanDerWaalsContact OD1-CB 3.28Å; D369-R372 WeakPolarHBondContact OD1-CB 3.38Å; D369-R372 PolarHBondContact OD1-N 3.5Å; D369-F373 PolarHBondContact O-N 3.25Å
370E98.9Very high98.8Very high52 Ų5232.8 Ų32.824%0.24318%0.18CC..Hα-helixtrans-62.8-30.3178.259.9-173.3-14600113.3V18 T23 W359 F373 V374V18-E370 HydrophobicContact CG1-CB 4.05Å; V18-E370 HydrophobicContact CG1-CG 3.82Å; V18-E370 HydrophobicContact CG2-CG 4.46Å; T23-E370 WeakPolarHBondContact CB-OE1 3.49Å; T23-E370 VanDerWaalsContact CG2-OE1 3.27Å; T23-E370 WeakPolarHBondContact CG2-OE1 3.41Å; T23-E370 PolarHBondContact OG1-OE1 3.06Å; W359-E370 HydrophobicContact CH2-CB 4.02Å; W359-E370 HydrophobicContact CZ3-CB 4.13Å; E370-F373 WeakPolarHBondContact O-CB 3.47Å; E370-F373 PolarHBondContact O-N 2.91Å; E370-V374 WeakPolarHBondContact O-CG2 3.43Å; E370-V374 PolarHBondContact O-N 2.92Å; E370-V374 VanDerWaalsContact O-N 3.08Å
371N98.9Very high98.8Very high26 Ų2631.6 Ų31.614%0.13918%0.175CC..Hα-helixtrans-71.7-43.8178.3-56.2100.3000110.4N19 D20 F22 T23 D369 F373 V374 A375N19-N371 WeakPolarHBondContact O-CA 3.35Å; N19-N371 WeakPolarHBondContact O-CB 3.38Å; N19-N371 PolarHBondContact O-ND2 3.23Å; D20-N371 WeakPolarHBondContact CA-O 3.32Å; F22-N371 WeakPolarHBondContact CA-ND2 3.35Å; F22-N371 PolarHBondContact O-ND2 3.28Å; T23-N371 PolarHBondContact N-ND2 2.82Å; T23-N371 PolarHBondContact OG1-ND2 3.27Å; D369-N371 VanDerWaalsContact C-N 3.27Å; D369-N371 PolarHBondContact O-N 2.79Å; D369-N371 PolarHBondContact OD1-N 2.81Å; N371-F373 VanDerWaalsContact C-N 3.31Å; N371-F373 PolarHBondContact O-N 2.96Å; N371-V374 WeakPolarHBondContact O-CB 3.44Å; N371-V374 PolarHBondContact O-N 3.32Å; N371-A375 PolarHBondContact O-N 2.72Å
372R98.9Very high98.8Very high40 Ų4026.8 Ų26.815%0.15116%0.156CC..Hα-helixtrans-66.8-34.2174.5-176.664.4-166164.57111.7L314 D317 L319 M368 D369 A375 V376 N380L314-R372 PolarHBondContact O-NE 3.31Å; L314-R372 PolarHBondContact O-NH2 3.08Å; D317-R372 IonicContact OD1-CZ 3.16Å; D317-R372 IonicContact OD1-NH1 2.83Å; D317-R372 PolarHBondContact OD1-NH1 2.64Å; D317-R372 IonicContact OD1-NH2 3.64Å; D317-R372 PolarHBondContact OD1-NH2 3.24Å; L319-R372 PolarHBondContact O-NH2 2.91Å; M368-R372 HydrophobicContact CB-CB 3.93Å; M368-R372 HydrophobicContact CB-CG 3.79Å; M368-R372 HydrophobicContact CG-CB 4.48Å; M368-R372 HydrophobicContact CG-CG 4.44Å; M368-R372 HydrophobicContact SD-CG 4.14Å; D369-R372 PolarHBondContact O-N 3.2Å; D369-R372 VanDerWaalsContact OD1-CB 3.28Å; D369-R372 WeakPolarHBondContact OD1-CB 3.38Å; D369-R372 PolarHBondContact OD1-N 3.5Å; R372-A375 WeakPolarHBondContact O-CB 3.32Å; R372-A375 PolarHBondContact O-N 3.19Å; R372-A375 VanDerWaalsContact O-N 3.16Å; R372-V376 VanDerWaalsContact NH2-CG1 3.32Å; R372-V376 PolarHBondContact O-N 3.41Å; R372-N380 PolarHBondContact NH1-ND2 2.84Å
373F98.9Very high98.8Very high0 Ų028.8 Ų28.80%017%0.165CC..Hα-helixtrans-56.8-47.9169.5172.2-94.7000111.7L59 M355 I358 W359 V363 M368 D369 E370 N371 A375 V376 T377L59-F373 HydrophobicContact CD1-CD1 4.35Å; L59-F373 HydrophobicContact CD1-CE1 3.88Å; M355-F373 HydrophobicContact CB-CZ 4.19Å; M355-F373 HydrophobicContact CE-CE1 3.77Å; M355-F373 HydrophobicContact CE-CZ 3.76Å; M355-F373 WeakPolarHBondContact O-CE2 3.26Å; I358-F373 HydrophobicContact CB-CE2 4.27Å; I358-F373 HydrophobicContact CG2-CD2 4.03Å; I358-F373 HydrophobicContact CG2-CE2 4.1Å; W359-F373 HydrophobicContact CB-CD2 4.49Å; W359-F373 HydrophobicContact CB-CE2 3.93Å; W359-F373 HydrophobicContact CB-CZ 4.33Å; W359-F373 AromaticContact CE3-CD1 3.8Å; W359-F373 HydrophobicContact CE3-CD1 3.8Å; W359-F373 HydrophobicContact CE3-CD2 4.09Å; W359-F373 AromaticContact CE3-CE1 3.87Å; W359-F373 HydrophobicContact CE3-CE1 3.87Å; W359-F373 HydrophobicContact CE3-CE2 4.16Å; W359-F373 AromaticContact CE3-CG 3.91Å; W359-F373 HydrophobicContact CE3-CG 3.91Å; W359-F373 HydrophobicContact CE3-CZ 4.05Å; W359-F373 AromaticContact CZ3-CD1 3.99Å; W359-F373 HydrophobicContact CZ3-CD1 3.99Å; W359-F373 HydrophobicContact CZ3-CE1 4.35Å; W359-F373 HydrophobicContact CZ3-CG 4.27Å; V363-F373 HydrophobicContact CG2-CB 3.64Å; V363-F373 HydrophobicContact CG2-CD2 4.07Å; V363-F373 HydrophobicContact CG2-CG 4.05Å; M368-F373 HydrophobicContact SD-CB 4.33Å; D369-F373 PolarHBondContact O-N 3.25Å; E370-F373 WeakPolarHBondContact O-CB 3.47Å; E370-F373 PolarHBondContact O-N 2.91Å; N371-F373 VanDerWaalsContact C-N 3.31Å; N371-F373 PolarHBondContact O-N 2.96Å; F373-A375 VanDerWaalsContact C-N 3.29Å; F373-A375 PolarHBondContact O-N 2.92Å; F373-V376 PolarHBondContact O-N 2.84Å; F373-T377 HydrophobicContact CD2-CG2 4.04Å; F373-T377 HydrophobicContact CE1-CG2 4.46Å; F373-T377 HydrophobicContact CE2-CG2 3.77Å; F373-T377 HydrophobicContact CG-CG2 4.5Å; F373-T377 HydrophobicContact CZ-CG2 4.01Å; F373-T377 WeakPolarHBondContact O-CB 3.37Å; F373-T377 WeakPolarHBondContact O-CG2 3.24Å; F373-T377 PolarHBondContact O-N 3.5Å; F373-T377 VanDerWaalsContact O-N 3.08Å; F373-T377 PolarHBondContact O-OG1 2.96Å
374V98.9Very high98.8Very high1 Ų127.5 Ų27.51%0.00616%0.157CC..Hα-helixtrans-59-41.5174.3170.60000111.2V18 D20 L59 P60 E370 N371 S378 S379V18-V374 HydrophobicContact CB-CG2 4.34Å; V18-V374 HydrophobicContact CG1-CG2 3.84Å; D20-V374 HydrophobicContact CB-CG1 4.38Å; L59-V374 HydrophobicContact CB-CG2 4.47Å; L59-V374 HydrophobicContact CD2-CG2 4.02Å; P60-V374 HydrophobicContact CG-CG1 3.8Å; E370-V374 WeakPolarHBondContact O-CG2 3.43Å; E370-V374 PolarHBondContact O-N 2.92Å; E370-V374 VanDerWaalsContact O-N 3.08Å; N371-V374 WeakPolarHBondContact O-CB 3.44Å; N371-V374 PolarHBondContact O-N 3.32Å; V374-S378 PolarHBondContact O-N 2.82Å; V374-S378 PolarHBondContact O-OG 2.97Å; V374-S379 PolarHBondContact O-N 2.93Å; V374-S379 VanDerWaalsContact O-N 3.16Å
375A98.9Very high98.8Very high5 Ų524.2 Ų24.24%0.04114%0.137CC..Iπ-helixtrans-58.9-52.1178.100000112.7D20 N371 R372 F373 S379 N380D20-A375 HydrophobicContact CB-CB 3.87Å; N371-A375 PolarHBondContact O-N 2.72Å; R372-A375 WeakPolarHBondContact O-CB 3.32Å; R372-A375 PolarHBondContact O-N 3.19Å; R372-A375 VanDerWaalsContact O-N 3.16Å; F373-A375 VanDerWaalsContact C-N 3.29Å; F373-A375 PolarHBondContact O-N 2.92Å; A375-S379 PolarHBondContact O-N 2.81Å; A375-N380 WeakPolarHBondContact O-CB 3.49Å; A375-N380 VanDerWaalsContact O-CG 3.31Å; A375-N380 PolarHBondContact O-N 2.79Å; A375-N380 PolarHBondContact O-ND2 3.25Å
376V98.9Very high98.8Very high0 Ų023.2 Ų23.20%013%0.129CC..Iπ-helixtrans-77.5-20.4-174.6-59.30000113.8L314 V321 V322 M368 R372 F373L314-V376 HydrophobicContact CB-CG1 4.48Å; L314-V376 HydrophobicContact CD2-CB 4.21Å; L314-V376 HydrophobicContact CD2-CG1 4.07Å; V321-V376 WeakPolarHBondContact CA-O 3.41Å; V322-V376 HydrophobicContact CG1-CB 4.47Å; V322-V376 HydrophobicContact CG1-CG2 4.19Å; V322-V376 PolarHBondContact N-O 2.65Å; V322-V376 VanDerWaalsContact N-O 3.09Å; M368-V376 HydrophobicContact SD-CG2 4.06Å; R372-V376 VanDerWaalsContact NH2-CG1 3.32Å; R372-V376 PolarHBondContact O-N 3.41Å; F373-V376 PolarHBondContact O-N 2.84Å
377T98.9Very high98.8Very high1 Ų120.3 Ų20.31%0.00610%0.098CC..Iπ-helixtrans-98.5-16.7-179.159.50000114.1I63 V322 R354 F373I63-T377 PolarHBondContact N-O 3.1Å; I63-T377 VanDerWaalsContact O-O 3.12Å; V322-T377 HydrophobicContact CG1-CG2 4.07Å; R354-T377 PolarHBondContact NH1-O 3.47Å; R354-T377 PolarHBondContact NH2-O 3.23Å; F373-T377 HydrophobicContact CD2-CG2 4.04Å; F373-T377 HydrophobicContact CE1-CG2 4.46Å; F373-T377 HydrophobicContact CE2-CG2 3.77Å; F373-T377 HydrophobicContact CG-CG2 4.5Å; F373-T377 HydrophobicContact CZ-CG2 4.01Å; F373-T377 WeakPolarHBondContact O-CB 3.37Å; F373-T377 WeakPolarHBondContact O-CG2 3.24Å; F373-T377 PolarHBondContact O-N 3.5Å; F373-T377 VanDerWaalsContact O-N 3.08Å; F373-T377 PolarHBondContact O-OG1 2.96Å
378S98.9Very high98.8Very high0 Ų019.8 Ų19.80%09%0.094CC..Iπ-helixtrans-148.7-60.9-178.469.30000114.5V374 N380 A381 A382V374-S378 PolarHBondContact O-N 2.82Å; V374-S378 PolarHBondContact O-OG 2.97Å; S378-N380 PolarHBondContact O-N 3.28Å; S378-A381 WeakPolarHBondContact O-CB 3.45Å; S378-A381 PolarHBondContact O-N 3.4Å; S378-A382 PolarHBondContact O-N 3.16Å
379S98.9Very high98.8Very high0 Ų022.2 Ų22.20%011%0.111CC..Iπ-helixtrans-65.8-38.3-164.4-45.60000113.2V374 A375 A382 K383 G392V374-S379 PolarHBondContact O-N 2.93Å; V374-S379 VanDerWaalsContact O-N 3.16Å; A375-S379 PolarHBondContact O-N 2.81Å; S379-A382 PolarHBondContact O-N 3.2Å; S379-K383 VanDerWaalsContact O-CG 3.27Å; S379-K383 WeakPolarHBondContact O-CG 3.48Å; S379-K383 PolarHBondContact O-N 3.39Å; S379-G392 WeakPolarHBondContact CB-O 3.48Å; S379-G392 PolarHBondContact OG-O 3.16Å
380N98.9Very high98.8Very high6 Ų623.2 Ų23.23%0.03211%0.108CC..Hα-helixtrans-67.1-42.4177.1-71.9-17.2000111.4S320 V321 R372 A375 S378 A382 K383 I384S320-N380 VanDerWaalsContact O-CB 3.29Å; S320-N380 WeakPolarHBondContact O-CB 3.44Å; S320-N380 PolarHBondContact O-ND2 3.49Å; V321-N380 HydrophobicContact CG2-CB 3.99Å; R372-N380 PolarHBondContact NH1-ND2 2.84Å; A375-N380 WeakPolarHBondContact O-CB 3.49Å; A375-N380 VanDerWaalsContact O-CG 3.31Å; A375-N380 PolarHBondContact O-N 2.79Å; A375-N380 PolarHBondContact O-ND2 3.25Å; S378-N380 PolarHBondContact O-N 3.28Å; N380-A382 VanDerWaalsContact C-N 3.33Å; N380-A382 PolarHBondContact O-N 2.93Å; N380-K383 PolarHBondContact O-N 3Å; N380-I384 WeakPolarHBondContact O-CB 3.36Å; N380-I384 WeakPolarHBondContact O-CG1 3.43Å; N380-I384 PolarHBondContact O-N 3.22Å
381A98.9Very high98.8Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-57.6-47.3172.800000110.8I63 T65 V321 S378 K383 I384 Y385I63-A381 HydrophobicContact CB-CB 4.01Å; I63-A381 HydrophobicContact CG2-CB 3.92Å; T65-A381 HydrophobicContact CG2-CB 3.34Å; V321-A381 HydrophobicContact CG1-CB 4.42Å; V321-A381 HydrophobicContact CG2-CB 4.42Å; S378-A381 WeakPolarHBondContact O-CB 3.45Å; S378-A381 PolarHBondContact O-N 3.4Å; A381-K383 VanDerWaalsContact C-N 3.34Å; A381-K383 PolarHBondContact O-N 3.1Å; A381-I384 PolarHBondContact O-N 2.87Å; A381-Y385 WeakPolarHBondContact O-CB 3.31Å; A381-Y385 VanDerWaalsContact O-CD2 3.28Å; A381-Y385 WeakPolarHBondContact O-CD2 3.12Å; A381-Y385 PolarHBondContact O-N 3.09Å
382A98.9Very high98.8Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-61.1-39.2177.600000112.8I63 S378 S379 N380 N386 L387 Y388 K391I63-A382 HydrophobicContact CD1-CB 3.85Å; S378-A382 PolarHBondContact O-N 3.16Å; S379-A382 PolarHBondContact O-N 3.2Å; N380-A382 VanDerWaalsContact C-N 3.33Å; N380-A382 PolarHBondContact O-N 2.93Å; A382-N386 PolarHBondContact O-N 2.99Å; A382-N386 VanDerWaalsContact O-N 3.15Å; A382-L387 HydrophobicContact CB-CB 4.14Å; A382-L387 PolarHBondContact O-N 3.16Å; A382-Y388 HydrophobicContact CB-CD2 4.36Å; A382-Y388 PolarHBondContact O-N 3.17Å; A382-Y388 VanDerWaalsContact O-N 3.1Å; A382-K391 VanDerWaalsContact CB-O 3.26Å; A382-K391 WeakPolarHBondContact CB-O 3.42Å
383K98.9Very high98.8Very high41 Ų4119.7 Ų19.718%0.1789%0.092CC..Hα-helixtrans-69.2-44.1177.1-70.7166.4-170.1170.30112D20 S379 N380 A381 Y388 Y470D20-K383 IonicContact OD2-NZ 3.62Å; D20-K383 PolarHBondContact OD2-NZ 3.29Å; S379-K383 VanDerWaalsContact O-CG 3.27Å; S379-K383 WeakPolarHBondContact O-CG 3.48Å; S379-K383 PolarHBondContact O-N 3.39Å; N380-K383 PolarHBondContact O-N 3Å; A381-K383 VanDerWaalsContact C-N 3.34Å; A381-K383 PolarHBondContact O-N 3.1Å; K383-Y388 HydrophobicContact CG-CD1 4.07Å; K383-Y388 HydrophobicContact CG-CD2 4.02Å; K383-Y388 HydrophobicContact CG-CG 3.69Å; K383-Y470 HydrophobicContact CB-CD1 3.99Å; K383-Y470 HydrophobicContact CB-CD2 4.01Å; K383-Y470 HydrophobicContact CB-CE1 4.42Å; K383-Y470 HydrophobicContact CB-CE2 4.45Å; K383-Y470 HydrophobicContact CB-CG 3.77Å; K383-Y470 HydrophobicContact CD-CD2 4.23Å; K383-Y470 HydrophobicContact CD-CE2 4.13Å; K383-Y470 HydrophobicContact CG-CD2 4.5Å; K383-Y470 WeakPolarHBondContact O-CB 3.37Å
384I98.7Very high98.8Very high0 Ų019.9 Ų19.90%09%0.093CC..Hα-helixtrans-64.5-46.2-179-70.9171.1000110.1I187 Y244 H268 V321 N380 A381 P468 Y470 L471I187-I384 HydrophobicContact CD1-CG2 4.15Å; I187-I384 WeakPolarHBondContact CD1-O 3.44Å; Y244-I384 HydrophobicContact CD2-CD1 4.39Å; Y244-I384 HydrophobicContact CD2-CG2 4.01Å; Y244-I384 HydrophobicContact CE2-CD1 3.81Å; Y244-I384 HydrophobicContact CE2-CG2 3.97Å; H268-I384 HydrophobicContact CB-CD1 4.29Å; V321-I384 HydrophobicContact CG2-CD1 4.08Å; N380-I384 WeakPolarHBondContact O-CB 3.36Å; N380-I384 WeakPolarHBondContact O-CG1 3.43Å; N380-I384 PolarHBondContact O-N 3.22Å; A381-I384 PolarHBondContact O-N 2.87Å; I384-P468 WeakPolarHBondContact O-CB 3.47Å; I384-P468 WeakPolarHBondContact O-CG 3.4Å; I384-Y470 HydrophobicContact CD1-CE1 4.4Å; I384-Y470 HydrophobicContact CG1-CD1 3.74Å; I384-Y470 HydrophobicContact CG1-CE1 3.73Å; I384-L471 HydrophobicContact CG1-CD2 4.42Å; I384-L471 HydrophobicContact CG2-CD1 4.34Å
385Y98.6Very high98.8Very high0 Ų021.9 Ų21.90%011%0.106CC..THydrogen-bonded Turntrans-91.811.8-176.9-65.2-69.5000115T65 M98 H131 N155 I187 R189 A381T65-Y385 HydrophobicContact CG2-CD2 3.97Å; T65-Y385 HydrophobicContact CG2-CE2 3.59Å; M98-Y385 HydrophobicContact CE-CD1 3.68Å; M98-Y385 HydrophobicContact CE-CD2 4.15Å; M98-Y385 HydrophobicContact CE-CE1 4.25Å; M98-Y385 HydrophobicContact CE-CG 3.66Å; M98-Y385 HydrophobicContact SD-CD1 4.13Å; M98-Y385 HydrophobicContact SD-CD2 3.5Å; M98-Y385 WeakPolarHBondContact SD-CD2 3.31Å; M98-Y385 HydrophobicContact SD-CE1 4.49Å; M98-Y385 HydrophobicContact SD-CE2 3.9Å; M98-Y385 HydrophobicContact SD-CG 3.65Å; H131-Y385 AromaticContact CE1-CD1 3.97Å; H131-Y385 AromaticContact CE1-CE1 3.38Å; H131-Y385 WeakPolarHBondContact CE1-CE1 3.34Å; H131-Y385 AromaticContact CE1-CZ 3.64Å; N155-Y385 PolarHBondContact ND2-O 3.23Å; I187-Y385 HydrophobicContact CD1-CD1 3.36Å; I187-Y385 HydrophobicContact CD1-CE1 3.54Å; I187-Y385 HydrophobicContact CD1-CG 4.23Å; I187-Y385 HydrophobicContact CG2-CE1 4.48Å; R189-Y385 PolarHBondContact NH1-OH 3.28Å; A381-Y385 WeakPolarHBondContact O-CB 3.31Å; A381-Y385 VanDerWaalsContact O-CD2 3.28Å; A381-Y385 WeakPolarHBondContact O-CD2 3.12Å; A381-Y385 PolarHBondContact O-N 3.09Å
386N98.5Very high98.7Very high56 Ų5625 Ų2530%0.29913%0.126SC..THydrogen-bonded Turntrans6540.1173.5-146.89000115.7A382 R465 T466 P468A382-N386 PolarHBondContact O-N 2.99Å; A382-N386 VanDerWaalsContact O-N 3.15Å; N386-R465 WeakPolarHBondContact CB-O 3.35Å; N386-R465 PolarHBondContact ND2-O 3.31Å; N386-T466 PolarHBondContact ND2-O 2.75Å; N386-P468 HydrophobicContact CB-CB 3.95Å
387L98.3Very high98.7Very high4 Ų427.6 Ų27.62%0.02115%0.153CC..  trans-111.7-12.8179.5-50.6172.6000112.7M96 A382 R390 K391 Y462 Q464M96-L387 HydrophobicContact CE-CD1 3.55Å; M96-L387 HydrophobicContact SD-CD1 3.62Å; A382-L387 HydrophobicContact CB-CB 4.14Å; A382-L387 PolarHBondContact O-N 3.16Å; L387-R390 CarbonylContact O-C 3.23Å; L387-R390 WeakPolarHBondContact O-CA 3.18Å; L387-R390 WeakPolarHBondContact O-CB 3.41Å; L387-R390 PolarHBondContact O-N 3Å; L387-K391 HydrophobicContact CB-CB 4.34Å; L387-K391 PolarHBondContact O-N 2.9Å; L387-Y462 HydrophobicContact CD2-CD1 3.3Å; L387-Y462 HydrophobicContact CD2-CE1 3.25Å; L387-Y462 HydrophobicContact CD2-CG 4.19Å; L387-Q464 HydrophobicContact CD2-CG 4.12Å
388Y98.8Very high98.7Very high78 Ų7827.6 Ų27.631%0.30615%0.153SC..THydrogen-bonded Turntrans-80.1141-176.2-174-90.3000112.5A382 K383 R393A382-Y388 HydrophobicContact CB-CD2 4.36Å; A382-Y388 PolarHBondContact O-N 3.17Å; A382-Y388 VanDerWaalsContact O-N 3.1Å; K383-Y388 HydrophobicContact CG-CD1 4.07Å; K383-Y388 HydrophobicContact CG-CD2 4.02Å; K383-Y388 HydrophobicContact CG-CG 3.69Å; Y388-R393 HydrophobicContact CE2-CB 3.93Å; Y388-R393 HydrophobicContact CE2-CG 4.43Å; Y388-R393 VanDerWaalsContact OH-CD 3.31Å; Y388-R393 WeakPolarHBondContact OH-CD 3.34Å; Y388-R393 PolarHBondContact OH-NH1 3.05Å
389P98.5Very high98.7Very high67 Ų6728.1 Ų28.144%0.43516%0.155SC..THydrogen-bonded Turncis-90.29.2-0.337.5-36.6000113.6K391 R393 V395 A398P389-K391 PolarHBondContact O-N 3.41Å; P389-R393 HydrophobicContact CB-CB 4.3Å; P389-V395 HydrophobicContact CB-CG1 4.36Å; P389-A398 WeakPolarHBondContact O-CB 3.4Å
390R98.4Very high98.7Very high110 Ų11028.1 Ų28.142%0.41516%0.155SC..THydrogen-bonded Turntrans-61.1-32.9-178.4178.3159.2165-137.5-4.2112.2L387 D399 Y462L387-R390 CarbonylContact O-C 3.23Å; L387-R390 WeakPolarHBondContact O-CA 3.18Å; L387-R390 WeakPolarHBondContact O-CB 3.41Å; L387-R390 PolarHBondContact O-N 3Å; R390-D399 HydrophobicContact CG-CB 4.43Å; R390-D399 WeakPolarHBondContact CG-OD1 3.31Å; R390-D399 IonicContact CZ-OD1 2.82Å; R390-D399 IonicContact CZ-OD2 2.7Å; R390-D399 IonicContact NE-OD1 3.23Å; R390-D399 PolarHBondContact NE-OD1 3.26Å; R390-D399 IonicContact NE-OD2 3.49Å; R390-D399 PolarHBondContact NE-OD2 2.88Å; R390-D399 IonicContact NH2-OD1 3.24Å; R390-D399 PolarHBondContact NH2-OD1 3.23Å; R390-D399 IonicContact NH2-OD2 3.69Å; R390-D399 PolarHBondContact NH2-OD2 2.98Å; R390-D399 WeakPolarHBondContact O-CB 3.34Å; R390-D399 PolarHBondContact O-N 3.47Å; R390-Y462 WeakPolarHBondContact CD-OH 3.31Å; R390-Y462 WeakPolarHBondContact CG-OH 3.49Å; R390-Y462 VanDerWaalsContact CZ-CZ 3.47Å; R390-Y462 PolarHBondContact NE-OH 3.13Å; R390-Y462 VanDerWaalsContact NE-OH 3.15Å; R390-Y462 PolarHBondContact NH1-OH 3.24Å
391K98.8Very high98.7Very high6 Ų628.2 Ų28.23%0.02616%0.156CC..SBendtrans-122.4160.9164.2-61.6-168.6-177.1-54.80110.8I63 M96 D127 A382 L387 P389 R393 D399 D401 Y462I63-K391 HydrophobicContact CD1-CB 4.02Å; M96-K391 HydrophobicContact CB-CD 4.42Å; M96-K391 HydrophobicContact CG-CD 4.49Å; M96-K391 HydrophobicContact SD-CD 3.35Å; M96-K391 WeakPolarHBondContact SD-CD 3.45Å; M96-K391 VanDerWaalsContact SD-CE 3.56Å; D127-K391 IonicContact OD2-NZ 2.79Å; D127-K391 PolarHBondContact OD2-NZ 3.27Å; A382-K391 VanDerWaalsContact CB-O 3.26Å; A382-K391 WeakPolarHBondContact CB-O 3.42Å; L387-K391 HydrophobicContact CB-CB 4.34Å; L387-K391 PolarHBondContact O-N 2.9Å; P389-K391 PolarHBondContact O-N 3.41Å; K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 2.59Å; K391-D399 IonicContact NZ-OD2 3.68Å; K391-D399 PolarHBondContact NZ-OD2 2.94Å; K391-D401 IonicContact NZ-OD2 2.64Å; K391-D401 PolarHBondContact NZ-OD2 2.73Å; K391-Y462 HydrophobicContact CD-CE2 4.43Å; K391-Y462 VanDerWaalsContact CE-CD2 3.4Å
392G98.6Very high98.7Very high5 Ų528.2 Ų28.25%0.05216%0.156CC..SBendtrans73.81917700000114.6S379S379-G392 WeakPolarHBondContact CB-O 3.48Å; S379-G392 PolarHBondContact OG-O 3.16Å
393R98.9Very high98.7Very high33 Ų3328.2 Ų28.213%0.12516%0.156CC..  trans-152.6140.5172.4-163.5175.5-171.969.410.2111.9N19 D20 D21 Y388 P389 K391 V395 A398N19-R393 WeakPolarHBondContact OD1-CA 3.38Å; N19-R393 WeakPolarHBondContact OD1-CG 3.39Å; D20-R393 IonicContact OD1-NH1 3.55Å; D20-R393 PolarHBondContact OD1-NH1 2.75Å; D21-R393 VanDerWaalsContact CG-NH1 3.33Å; D21-R393 IonicContact OD1-CZ 2.76Å; D21-R393 VanDerWaalsContact OD1-CZ 3.23Å; D21-R393 IonicContact OD1-NH1 3.03Å; D21-R393 PolarHBondContact OD1-NH1 3.36Å; D21-R393 IonicContact OD1-NH2 2.86Å; D21-R393 PolarHBondContact OD1-NH2 3.2Å; D21-R393 IonicContact OD2-CZ 3.5Å; D21-R393 IonicContact OD2-NH1 3.42Å; D21-R393 PolarHBondContact OD2-NH1 3.35Å; D21-R393 IonicContact OD2-NH2 3.65Å; D21-R393 PolarHBondContact OD2-NH2 3Å; Y388-R393 HydrophobicContact CE2-CB 3.93Å; Y388-R393 HydrophobicContact CE2-CG 4.43Å; Y388-R393 VanDerWaalsContact OH-CD 3.31Å; Y388-R393 WeakPolarHBondContact OH-CD 3.34Å; Y388-R393 PolarHBondContact OH-NH1 3.05Å; P389-R393 HydrophobicContact CB-CB 4.3Å; K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 2.59Å; R393-V395 HydrophobicContact CB-CG1 4.26Å; R393-V395 HydrophobicContact CG-CB 4.28Å; R393-V395 HydrophobicContact CG-CG1 4.04Å; R393-A398 WeakPolarHBondContact O-CB 3.21Å
394I98.9Very high98.7Very high4 Ų426.4 Ų26.42%0.02115%0.148CC..  trans-91.898.7169.5-54.6-55000108.7V17 N19 V28 I35 V38 P60 V402V17-I394 HydrophobicContact CG1-CB 3.64Å; V17-I394 HydrophobicContact CG1-CG1 4.24Å; V17-I394 HydrophobicContact CG1-CG2 3.63Å; V17-I394 HydrophobicContact CG2-CG2 4.16Å; N19-I394 PolarHBondContact ND2-O 2.63Å; N19-I394 VanDerWaalsContact ND2-O 3.08Å; N19-I394 PolarHBondContact OD1-N 3.38Å; V28-I394 HydrophobicContact CG1-CG2 4.26Å; V28-I394 HydrophobicContact CG2-CG2 3.8Å; I35-I394 HydrophobicContact CD1-CD1 3.98Å; I35-I394 HydrophobicContact CD1-CG2 4.2Å; V38-I394 HydrophobicContact CG2-CG2 4.06Å; P60-I394 HydrophobicContact CB-CD1 4.42Å; P60-I394 HydrophobicContact CG-CD1 4.3Å; P60-I394 HydrophobicContact CG-CG1 4.02Å; I394-V402 HydrophobicContact CD1-CB 4.3Å; I394-V402 HydrophobicContact CD1-CG1 3.98Å; I394-V402 HydrophobicContact CD1-CG2 3.69Å
395V98.8Very high98.7Very high44 Ų4426.4 Ų26.427%0.26715%0.148SC..SBendtrans-154.9149.8-178.762.90000109.8I35 P389 R393 G397 A398I35-V395 WeakPolarHBondContact CB-O 3.34Å; P389-V395 HydrophobicContact CB-CG1 4.36Å; R393-V395 HydrophobicContact CB-CG1 4.26Å; R393-V395 HydrophobicContact CG-CB 4.28Å; R393-V395 HydrophobicContact CG-CG1 4.04Å; V395-G397 PolarHBondContact O-N 3.41Å; V395-A398 HydrophobicContact CG1-CB 3.9Å; V395-A398 WeakPolarHBondContact O-CB 3.33Å; V395-A398 PolarHBondContact O-N 3.07Å; V395-A398 VanDerWaalsContact O-N 3.13Å
396P98.8Very high98.7Very high70 Ų7027.4 Ų27.446%0.45515%0.154SC..THydrogen-bonded Turntrans-51.1133.7172-30.438.4000113I35 V38I35-P396 CarbonylContact O-C 3.54Å; I35-P396 WeakPolarHBondContact O-CA 3.35Å; V38-P396 HydrophobicContact CG2-CG 4.41Å
397G98.5Very high98.7Very high55 Ų5526 Ų2657%0.56715%0.148SC*.THydrogen-bonded Turntrans88.2-9.9-177.800000115.4I35 V395I35-G397 PolarHBondContact O-N 3.5Å; V395-G397 PolarHBondContact O-N 3.41Å
398A98.8Very high98.6Very high1 Ų132 Ų321%0.00818%0.18CC..SBendtrans-75.6157.4172.300000112I34 I35 P389 R393 V395I34-A398 WeakPolarHBondContact CA-O 3.32Å; I35-A398 HydrophobicContact CD1-CB 4.32Å; I35-A398 PolarHBondContact N-O 3.1Å; P389-A398 WeakPolarHBondContact O-CB 3.4Å; R393-A398 WeakPolarHBondContact O-CB 3.21Å; V395-A398 HydrophobicContact CG1-CB 3.9Å; V395-A398 WeakPolarHBondContact O-CB 3.33Å; V395-A398 PolarHBondContact O-N 3.07Å; V395-A398 VanDerWaalsContact O-N 3.13Å
399D98.8Very high98.5Very high11 Ų1129.6 Ų29.66%0.05918%0.176CC..BIsolated β-bridgetrans-60.4139.2171.5-71.2-13.3000109.1R390 K391 D401R390-D399 HydrophobicContact CG-CB 4.43Å; R390-D399 WeakPolarHBondContact CG-OD1 3.31Å; R390-D399 IonicContact CZ-OD1 2.82Å; R390-D399 IonicContact CZ-OD2 2.7Å; R390-D399 IonicContact NE-OD1 3.23Å; R390-D399 PolarHBondContact NE-OD1 3.26Å; R390-D399 IonicContact NE-OD2 3.49Å; R390-D399 PolarHBondContact NE-OD2 2.88Å; R390-D399 IonicContact NH2-OD1 3.24Å; R390-D399 PolarHBondContact NH2-OD1 3.23Å; R390-D399 IonicContact NH2-OD2 3.69Å; R390-D399 PolarHBondContact NH2-OD2 2.98Å; R390-D399 WeakPolarHBondContact O-CB 3.34Å; R390-D399 PolarHBondContact O-N 3.47Å; K391-D399 IonicContact NZ-OD2 3.68Å; K391-D399 PolarHBondContact NZ-OD2 2.94Å; D399-D401 PolarHBondContact O-N 3.2Å
400A98.6Very high98.4Very high0 Ų029.2 Ų29.20%017%0.172CC..  trans-80.263.7177.800000111.6I30 G33 I35 I440 R442 G443I30-A400 HydrophobicContact CB-CB 4.21Å; I30-A400 HydrophobicContact CD1-CB 3.98Å; I30-A400 HydrophobicContact CG1-CB 3.81Å; I30-A400 HydrophobicContact CG2-CB 3.38Å; G33-A400 WeakPolarHBondContact O-CB 3.45Å; G33-A400 PolarHBondContact O-N 2.86Å; I35-A400 HydrophobicContact CG1-CB 4.22Å; A400-I440 WeakPolarHBondContact O-CG2 3.39Å; A400-R442 PolarHBondContact O-N 3.45Å; A400-G443 PolarHBondContact O-N 3.21Å
401D98.8Very high98.3Very high8 Ų826.3 Ų26.34%0.04316%0.162CC..  trans-105.392.6172-70.5-17000108.2G61 T95 K391 D399 I440 S441 R442G61-D401 PolarHBondContact N-O 3.37Å; T95-D401 HydrophobicContact CG2-CB 4.31Å; K391-D401 IonicContact NZ-OD2 2.64Å; K391-D401 PolarHBondContact NZ-OD2 2.73Å; D399-D401 PolarHBondContact O-N 3.2Å; D401-I440 CarbonylContact C-O 3.52Å; D401-I440 WeakPolarHBondContact CA-O 3.32Å; D401-S441 WeakPolarHBondContact OD1-CA 3.48Å; D401-R442 PolarHBondContact OD1-N 3.05Å
402V98.9Very high98.3Very high0 Ų029.9 Ų29.90%018%0.184CC..EExtended strand (participates in β ladder)trans-134.2141-162.9-173.60000110.4I12 I30 I35 V58 L59 I394 I440I12-V402 HydrophobicContact CD1-CB 4.3Å; I12-V402 HydrophobicContact CD1-CG1 3.61Å; I30-V402 HydrophobicContact CD1-CG2 4.19Å; I35-V402 HydrophobicContact CD1-CG2 4.1Å; V58-V402 HydrophobicContact CG1-CG1 3.47Å; V58-V402 VanDerWaalsContact CG1-CG1 3.47Å; L59-V402 WeakPolarHBondContact O-CA 3.08Å; I394-V402 HydrophobicContact CD1-CB 4.3Å; I394-V402 HydrophobicContact CD1-CG1 3.98Å; I394-V402 HydrophobicContact CD1-CG2 3.69Å; V402-I440 HydrophobicContact CB-CB 4.38Å; V402-I440 PolarHBondContact N-O 2.72Å; V402-I440 PolarHBondContact O-N 3.13Å
403V98.9Very high98.3Very high0 Ų029.7 Ų29.70%018%0.182CC..EExtended strand (participates in β ladder)trans-117.3129.6173.7177.50000109.5V58 L59 G93 W405 P436 V438 T439V58-V403 WeakPolarHBondContact CA-O 3.44Å; L59-V403 PolarHBondContact N-O 3.19Å; L59-V403 PolarHBondContact O-N 3.39Å; G93-V403 WeakPolarHBondContact O-CG2 3.28Å; V403-W405 HydrophobicContact CG1-CB 4.31Å; V403-W405 HydrophobicContact CG1-CE3 4.04Å; V403-P436 HydrophobicContact CG1-CB 3.92Å; V403-V438 WeakPolarHBondContact CA-O 3.39Å; V403-T439 HydrophobicContact CG2-CG2 4.31Å
404V98.8Very high98.2Very high2 Ų229.2 Ų29.21%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-90.1111163-173.70000107.1I12 I51 A53 K56 L57 L437 V438I12-V404 HydrophobicContact CD1-CG2 4.36Å; I12-V404 HydrophobicContact CG2-CG2 3.91Å; I51-V404 HydrophobicContact CG2-CG2 4.12Å; A53-V404 HydrophobicContact CB-CG1 3.85Å; K56-V404 HydrophobicContact CB-CG1 3.71Å; K56-V404 HydrophobicContact CG-CG1 4.11Å; L57-V404 CarbonylContact O-C 3.57Å; L57-V404 WeakPolarHBondContact O-CA 3.17Å; V404-L437 PolarHBondContact O-N 3.43Å; V404-V438 HydrophobicContact CB-CB 3.99Å; V404-V438 HydrophobicContact CG2-CB 4.08Å; V404-V438 HydrophobicContact CG2-CG1 4.46Å; V404-V438 PolarHBondContact N-O 3.36Å; V404-V438 PolarHBondContact O-N 3.24Å
405W98.8Very high98.2Very high0 Ų032.2 Ų32.20%020%0.199CC..EExtended strand (participates in β ladder)trans-107.7127.3-171.2-175.1-95.7000110.2K56 L57 L59 M355 W359 V403 P407 G434 P436K56-W405 WeakPolarHBondContact CB-O 3.48Å; L57-W405 HydrophobicContact CB-CB 4.25Å; L57-W405 PolarHBondContact N-O 3.23Å; L57-W405 PolarHBondContact O-N 2.99Å; L59-W405 HydrophobicContact CD1-CB 3.71Å; L59-W405 HydrophobicContact CD1-CD2 4.2Å; L59-W405 HydrophobicContact CD1-CG 3.81Å; L59-W405 HydrophobicContact CG-CB 4Å; M355-W405 HydrophobicContact CB-CH2 3.88Å; M355-W405 HydrophobicContact CB-CZ3 3.99Å; W359-W405 HydrophobicContact CB-CZ2 3.69Å; W359-W405 AromaticContact CD2-CE2 3.93Å; W359-W405 AromaticContact CD2-CZ2 4Å; W359-W405 HydrophobicContact CD2-CZ2 4Å; W359-W405 AromaticContact CD2-NE1 3.34Å; W359-W405 VanDerWaalsContact CD2-NE1 3.34Å; W359-W405 AromaticContact CE2-NE1 3.54Å; W359-W405 HydrophobicContact CE3-CZ2 4.26Å; W359-W405 AromaticContact CE3-NE1 3.46Å; W359-W405 AromaticContact CG-CZ2 3.74Å; W359-W405 HydrophobicContact CG-CZ2 3.74Å; W359-W405 AromaticContact CG-NE1 3.92Å; W359-W405 AromaticContact CH2-NE1 4Å; W359-W405 AromaticContact CZ2-NE1 3.88Å; W359-W405 AromaticContact CZ3-NE1 3.79Å; V403-W405 HydrophobicContact CG1-CB 4.31Å; V403-W405 HydrophobicContact CG1-CE3 4.04Å; W405-P407 WeakPolarHBondContact O-CD 3.4Å; W405-G434 VanDerWaalsContact CE2-C 3.44Å; W405-G434 VanDerWaalsContact CH2-O 3.23Å; W405-G434 WeakPolarHBondContact CH2-O 3.46Å; W405-G434 WeakPolarHBondContact CZ2-O 3.33Å; W405-G434 VanDerWaalsContact NE1-CA 3.31Å; W405-P436 HydrophobicContact CE3-CB 4.09Å; W405-P436 HydrophobicContact CZ3-CB 4.08Å; W405-P436 HydrophobicContact CZ3-CG 4.18Å
406D98.4Very high98.1Very high22 Ų2235.3 Ų35.312%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-96106.9173.2-167.3-23.6000109.9K56 D408 A409 G434 V435 L437K56-D406 HydrophobicContact CD-CB 3.66Å; K56-D406 WeakPolarHBondContact CE-OD2 3.35Å; K56-D406 IonicContact NZ-OD2 3.96Å; D406-D408 VanDerWaalsContact C-N 3.26Å; D406-D408 PolarHBondContact O-N 2.99Å; D406-D408 PolarHBondContact OD1-N 3.32Å; D406-A409 HydrophobicContact CB-CB 3.66Å; D406-A409 PolarHBondContact OD1-N 3.22Å; D406-G434 CarbonylContact O-C 3.52Å; D406-G434 WeakPolarHBondContact O-CA 3.16Å; D406-V435 PolarHBondContact N-O 3.39Å; D406-V435 PolarHBondContact O-N 3.19Å; D406-L437 HydrophobicContact CB-CD1 3.73Å; D406-L437 HydrophobicContact CB-CD2 4.14Å; D406-L437 HydrophobicContact CB-CG 3.73Å
407P98Very high98Very high27 Ų2736.2 Ų36.218%0.17523%0.227CC..EExtended strand (participates in β ladder)trans-71.9-20.8-17932.1-36.2000112.9L57 W359 W405L57-P407 HydrophobicContact CD1-CB 4.32Å; L57-P407 HydrophobicContact CD1-CG 4.44Å; L57-P407 HydrophobicContact CG-CG 4.24Å; W359-P407 HydrophobicContact CH2-CB 4.28Å; W359-P407 HydrophobicContact CZ2-CB 3.54Å; W405-P407 WeakPolarHBondContact O-CD 3.4Å
408D96.6Very high97.9Very high129 Ų12934.9 Ų34.969%0.6921%0.206SC*.EExtended strand (participates in β ladder)trans-99.6-22.1-175.1-63.3-41.4000112.4D406D406-D408 VanDerWaalsContact C-N 3.26Å; D406-D408 PolarHBondContact O-N 2.99Å; D406-D408 PolarHBondContact OD1-N 3.32Å
409A96.7Very high97.8Very high27 Ų2737 Ų3722%0.22322%0.219CC..EExtended strand (participates in β ladder)trans-63.5146.2171.600000111.1D406 H433 G434 V435D406-A409 HydrophobicContact CB-CB 3.66Å; D406-A409 PolarHBondContact OD1-N 3.22Å; A409-H433 WeakPolarHBondContact O-CA 3.31Å; A409-G434 PolarHBondContact O-N 3.18Å; A409-G434 VanDerWaalsContact O-N 3.13Å; A409-V435 HydrophobicContact CB-CB 4.18Å; A409-V435 HydrophobicContact CB-CG2 4.15Å
410T97.1Very high97.8Very high60 Ų6036.8 Ų36.837%0.36822%0.218SC..EExtended strand (participates in β ladder)trans-122.8139.8176.365.10000112.3C432 H433T410-C432 CarbonylContact C-O 3.59Å; T410-C432 VanDerWaalsContact CA-O 3.24Å; T410-C432 WeakPolarHBondContact CA-O 3.4Å; T410-H433 HydrophobicContact CG2-CB 4.45Å; T410-H433 WeakPolarHBondContact CG2-CD2 3.37Å
411R96.3Very high97.6Very high49 Ų4937.5 Ų37.519%0.18522%0.224CC..EExtended strand (participates in β ladder)trans-123.4145.1166.572-179.4-175.6104.4-0110.2D353 S356 C432 V435D353-R411 IonicContact OD1-CZ 3.88Å; D353-R411 IonicContact OD1-NH1 2.79Å; D353-R411 PolarHBondContact OD1-NH1 2.96Å; D353-R411 IonicContact OD1-NH2 2.67Å; D353-R411 PolarHBondContact OD1-NH2 2.93Å; S356-R411 PolarHBondContact OG-NE 3.33Å; S356-R411 VanDerWaalsContact OG-NE 3.14Å; S356-R411 PolarHBondContact OG-NH2 3.09Å; R411-C432 PolarHBondContact N-O 3.39Å; R411-C432 PolarHBondContact O-N 2.93Å; R411-V435 HydrophobicContact CB-CG2 3.98Å; R411-V435 HydrophobicContact CG-CG2 3.93Å
412T98.4Very high97.4Very high81 Ų8138.1 Ų38.150%0.49723%0.233SC..EExtended strand (participates in β ladder)trans-96.2121.7165.8-59.10000107.7S414T412-S414 PolarHBondContact O-N 3.45Å
413I98.5Very high97.3Very high1 Ų141.2 Ų41.21%0.00525%0.25CC..  trans-66.7131177.5-58.8177.7000108.7D353 V357 N425 Y427 G429 M430D353-I413 HydrophobicContact CB-CD1 4.15Å; V357-I413 HydrophobicContact CG2-CD1 3.42Å; V357-I413 VanDerWaalsContact CG2-CD1 3.42Å; I413-N425 WeakPolarHBondContact CG2-ND2 3.4Å; I413-N425 WeakPolarHBondContact CG2-OD1 3.46Å; I413-Y427 WeakPolarHBondContact CB-O 3.11Å; I413-Y427 HydrophobicContact CD1-CG 4.36Å; I413-G429 PolarHBondContact O-N 3.19Å; I413-M430 HydrophobicContact CD1-CB 4.46Å; I413-M430 PolarHBondContact N-O 3.25Å
414S97.8Very high97.2Very high23 Ų2343.5 Ų43.516%0.16126%0.26CS..  trans-150.9136.9-178.6167.20000110.7T412 S416 T417 Q418 E428T412-S414 PolarHBondContact O-N 3.45Å; S414-S416 PolarHBondContact O-N 3.28Å; S414-S416 PolarHBondContact OG-N 2.72Å; S414-S416 VanDerWaalsContact OG-N 3.1Å; S414-S416 PolarHBondContact OG-OG 2.87Å; S414-T417 PolarHBondContact O-N 3.02Å; S414-T417 PolarHBondContact O-OG1 2.87Å; S414-Q418 PolarHBondContact O-N 3.15Å; S414-Q418 VanDerWaalsContact O-N 3.09Å; S414-E428 WeakPolarHBondContact CA-OE1 3.49Å; S414-E428 WeakPolarHBondContact CA-OE2 3.34Å
415L97.1Very high97.2Very high66 Ų6643.5 Ų43.535%0.34626%0.26SS..THydrogen-bonded Turntrans-51.1-36.2170.4178.863.1000112.1T417 Q418 D423 E428L415-T417 PolarHBondContact O-N 3.37Å; L415-Q418 HydrophobicContact CD1-CG 4.22Å; L415-D423 WeakPolarHBondContact CD2-O 3.48Å; L415-E428 WeakPolarHBondContact CB-OE2 3.41Å; L415-E428 PolarHBondContact N-OE2 3.18Å
416S97Very high97.2Very high109 Ų10944.3 Ų44.376%0.76226%0.264SS*.THydrogen-bonded Turntrans-68.5-15.6-179.566.60000114.1S414S414-S416 PolarHBondContact O-N 3.28Å; S414-S416 PolarHBondContact OG-N 2.72Å; S414-S416 VanDerWaalsContact OG-N 3.1Å; S414-S416 PolarHBondContact OG-OG 2.87Å
417T96.4Very high97.2Very high90 Ų9043.4 Ų43.455%0.55226%0.259SS*.THydrogen-bonded Turntrans-117.9-8.2-176.760.50000113.6S414 L415S414-T417 PolarHBondContact O-N 3.02Å; S414-T417 PolarHBondContact O-OG1 2.87Å; L415-T417 PolarHBondContact O-N 3.37Å
418Q97.4Very high97.2Very high26 Ų2646.9 Ų46.912%0.12127%0.273CS..  trans-70.5150.7178.582.5178.519.500110.8S414 L415 Q420 G422 N425S414-Q418 PolarHBondContact O-N 3.15Å; S414-Q418 VanDerWaalsContact O-N 3.09Å; L415-Q418 HydrophobicContact CD1-CG 4.22Å; Q418-Q420 HydrophobicContact CB-CG 4.3Å; Q418-Q420 HydrophobicContact CG-CG 4.2Å; Q418-Q420 WeakPolarHBondContact CG-O 3.39Å; Q418-Q420 PolarHBondContact NE2-O 3.11Å; Q418-G422 PolarHBondContact NE2-O 2.89Å; Q418-N425 PolarHBondContact OE1-ND2 3.47Å
419V97.4Very high97.3Very high46 Ų4643 Ų4328%0.27926%0.264SS..  trans-108-15.1171.8-63.10000112.2A88 M91 Q352A88-V419 HydrophobicContact CB-CG2 3.95Å; M91-V419 HydrophobicContact CB-CG2 3.93Å; M91-V419 HydrophobicContact CE-CG1 4.47Å; M91-V419 HydrophobicContact CG-CG2 3.98Å; Q352-V419 HydrophobicContact CG-CG2 4.48Å
420Q97.5Very high97.3Very high7 Ų743 Ų433%0.03326%0.259CS..SBendtrans-68.6151.6170.876.1-171.1-4.800110.9A88 A349 V351 Q352 D353 Q418 N425A88-Q420 HydrophobicContact CB-CB 3.72Å; A349-Q420 HydrophobicContact CB-CG 4.24Å; V351-Q420 HydrophobicContact CG1-CB 4.45Å; Q352-Q420 HydrophobicContact CB-CB 4.3Å; Q352-Q420 HydrophobicContact CB-CG 4.45Å; D353-Q420 PolarHBondContact OD2-NE2 3.41Å; D353-Q420 VanDerWaalsContact OD2-NE2 3.11Å; Q418-Q420 HydrophobicContact CB-CG 4.3Å; Q418-Q420 HydrophobicContact CG-CG 4.2Å; Q418-Q420 WeakPolarHBondContact CG-O 3.39Å; Q418-Q420 PolarHBondContact NE2-O 3.11Å; Q420-N425 PolarHBondContact NE2-ND2 3.38Å
421G95.6Very high97.4Very high14 Ų1446.7 Ų46.714%0.14427%0.267CS..SBendtrans-71.2171.4179.400000113.6D80 P328D80-G421 WeakPolarHBondContact OD1-CA 3.4Å; D80-G421 PolarHBondContact OD1-N 2.84Å; D80-G421 VanDerWaalsContact OD1-N 3.11Å; D80-G421 WeakPolarHBondContact OD2-CA 3.42Å; D80-G421 PolarHBondContact OD2-N 2.9Å; P328-G421 WeakPolarHBondContact CB-O 3.11Å
422G93.9Very high97.5Very high22 Ų2244.4 Ų44.423%0.22726%0.258CS..SBendtrans94.9158-170.500000112.3Q418Q418-G422 PolarHBondContact NE2-O 2.89Å
423D96.6Very high97.5Very high65 Ų6543 Ų4335%0.34825%0.246SC..SBendtrans-107.620.3179.4555.3000111.8S330 T331 L415S330-D423 WeakPolarHBondContact CA-OD1 3.46Å; T331-D423 WeakPolarHBondContact CB-OD2 3.5Å; T331-D423 VanDerWaalsContact N-CG 3.32Å; T331-D423 PolarHBondContact N-OD1 3.42Å; T331-D423 PolarHBondContact N-OD2 3.19Å; T331-D423 PolarHBondContact OG1-OD1 3.14Å; T331-D423 PolarHBondContact OG1-OD2 3.31Å; L415-D423 WeakPolarHBondContact CD2-O 3.48Å
424F97.5Very high97.4Very high47 Ų4743 Ų4321%0.20625%0.245CC..  trans-148.2138.5178.6-164.8-83.4000109.9H290 A293 H294 L426H290-F424 HydrophobicContact CB-CE2 4.35Å; H290-F424 HydrophobicContact CB-CZ 4.48Å; H290-F424 AromaticContact ND1-CE2 3.99Å; H290-F424 AromaticContact ND1-CZ 3.55Å; A293-F424 HydrophobicContact CB-CB 4.07Å; A293-F424 HydrophobicContact CB-CD1 3.41Å; A293-F424 VanDerWaalsContact CB-CD1 3.41Å; A293-F424 HydrophobicContact CB-CD2 3.79Å; A293-F424 HydrophobicContact CB-CE1 3.69Å; A293-F424 HydrophobicContact CB-CE2 4.04Å; A293-F424 HydrophobicContact CB-CG 3.47Å; A293-F424 VanDerWaalsContact CB-CG 3.47Å; A293-F424 HydrophobicContact CB-CZ 3.99Å; H294-F424 AromaticContact CE1-CE1 3.61Å; H294-F424 AromaticContact CE1-CZ 3.83Å; F424-L426 HydrophobicContact CD1-CD2 4.13Å; F424-L426 HydrophobicContact CE1-CD2 4.12Å
425N98.3Very high97.4Very high2 Ų243.1 Ų43.11%0.01125%0.245CC..  trans-113.9127170-166.8-59.6000109.5D353 I413 Q418 Q420 Y427 E428D353-N425 PolarHBondContact OD2-ND2 2.81Å; I413-N425 WeakPolarHBondContact CG2-ND2 3.4Å; I413-N425 WeakPolarHBondContact CG2-OD1 3.46Å; Q418-N425 PolarHBondContact OE1-ND2 3.47Å; Q420-N425 PolarHBondContact NE2-ND2 3.38Å; N425-Y427 PolarHBondContact O-N 2.85Å; N425-Y427 WeakPolarHBondContact OD1-CA 3.33Å; N425-Y427 PolarHBondContact OD1-N 3.02Å; N425-E428 WeakPolarHBondContact O-CB 3.39Å; N425-E428 PolarHBondContact O-N 3.09Å
426L98Very high97.4Very high17 Ų1740.8 Ų40.89%0.08923%0.234CC..THydrogen-bonded Turntrans-65.8-21-178.6-58.5-173.8000113.8A274 L278 A293 V348 F424A274-L426 HydrophobicContact CB-CD1 4.08Å; L278-L426 HydrophobicContact CD1-CB 3.77Å; L278-L426 HydrophobicContact CD1-CD1 4.02Å; L278-L426 HydrophobicContact CD1-CG 4.48Å; A293-L426 WeakPolarHBondContact O-CD2 3.48Å; V348-L426 HydrophobicContact CB-CD1 3.54Å; V348-L426 HydrophobicContact CB-CD2 4.48Å; V348-L426 HydrophobicContact CB-CG 4.27Å; V348-L426 HydrophobicContact CG1-CD1 3.84Å; V348-L426 HydrophobicContact CG1-CD2 4.35Å; V348-L426 HydrophobicContact CG2-CD1 3.74Å; F424-L426 HydrophobicContact CD1-CD2 4.13Å; F424-L426 HydrophobicContact CE1-CD2 4.12Å
427Y98.3Very high97.4Very high3 Ų337.8 Ų37.81%0.01221%0.209CC..THydrogen-bonded Turntrans-110.321.8-175.8-40.5-70.1000111.4V273 A274 V277 L278 D353 V357 I413 N425 G429 M430V273-Y427 WeakPolarHBondContact CG1-OH 3.48Å; V273-Y427 HydrophobicContact CG2-CE1 4.46Å; A274-Y427 WeakPolarHBondContact CA-OH 3.35Å; A274-Y427 PolarHBondContact N-OH 2.98Å; V277-Y427 HydrophobicContact CG2-CD1 4.01Å; V277-Y427 HydrophobicContact CG2-CE1 3.44Å; V277-Y427 VanDerWaalsContact CG2-CE1 3.44Å; L278-Y427 HydrophobicContact CD1-CD1 4.3Å; L278-Y427 HydrophobicContact CD1-CE1 3.8Å; L278-Y427 HydrophobicContact CD2-CD1 4.27Å; L278-Y427 HydrophobicContact CD2-CE1 4.35Å; L278-Y427 HydrophobicContact CG-CD1 4.45Å; L278-Y427 HydrophobicContact CG-CE1 4.03Å; D353-Y427 HydrophobicContact CB-CD2 3.81Å; D353-Y427 HydrophobicContact CB-CE2 4.03Å; V357-Y427 HydrophobicContact CG1-CD1 4.29Å; V357-Y427 HydrophobicContact CG1-CE1 4.23Å; V357-Y427 HydrophobicContact CG2-CD1 4.28Å; V357-Y427 HydrophobicContact CG2-CD2 4.07Å; V357-Y427 HydrophobicContact CG2-CE2 4.49Å; V357-Y427 HydrophobicContact CG2-CG 3.96Å; I413-Y427 WeakPolarHBondContact CB-O 3.11Å; I413-Y427 HydrophobicContact CD1-CG 4.36Å; N425-Y427 PolarHBondContact O-N 2.85Å; N425-Y427 WeakPolarHBondContact OD1-CA 3.33Å; N425-Y427 PolarHBondContact OD1-N 3.02Å; Y427-G429 PolarHBondContact O-N 3.13Å; Y427-M430 HydrophobicContact CD1-CE 3.96Å; Y427-M430 WeakPolarHBondContact O-CB 3.06Å; Y427-M430 PolarHBondContact O-N 3.16Å
428E98.3Very high97.5Very high100 Ų10033.9 Ų33.947%0.46719%0.185SC..THydrogen-bonded Turntrans-48126.5179.6-17063.7-148.900111.4S414 L415 N425 M430S414-E428 WeakPolarHBondContact CA-OE1 3.49Å; S414-E428 WeakPolarHBondContact CA-OE2 3.34Å; L415-E428 WeakPolarHBondContact CB-OE2 3.41Å; L415-E428 PolarHBondContact N-OE2 3.18Å; N425-E428 WeakPolarHBondContact O-CB 3.39Å; N425-E428 PolarHBondContact O-N 3.09Å; E428-M430 PolarHBondContact O-N 2.86Å
429G98.3Very high97.6Very high49 Ų4932.7 Ų32.751%0.50518%0.18SC..THydrogen-bonded Turntrans77.6-2.6-178.800000115.3I413 Y427 R431I413-G429 PolarHBondContact O-N 3.19Å; Y427-G429 PolarHBondContact O-N 3.13Å; G429-R431 PolarHBondContact O-N 2.67Å
430M98.4Very high97.6Very high26 Ų2630.6 Ų30.613%0.12817%0.167CC..  trans-69.7115.4176.9-169.2178.7-58.600110.3V357 I413 Y427 E428V357-M430 HydrophobicContact CG1-SD 4.39Å; V357-M430 HydrophobicContact CG2-SD 4.4Å; I413-M430 HydrophobicContact CD1-CB 4.46Å; I413-M430 PolarHBondContact N-O 3.25Å; Y427-M430 HydrophobicContact CD1-CE 3.96Å; Y427-M430 WeakPolarHBondContact O-CB 3.06Å; Y427-M430 PolarHBondContact O-N 3.16Å; E428-M430 PolarHBondContact O-N 2.86Å
431R98.5Very high97.7Very high138 Ų13830.4 Ų30.452%0.52117%0.167SC..EExtended strand (participates in β ladder)trans-76.6121.8168.9-173.9176178.5-131.6-3109.1G429G429-R431 PolarHBondContact O-N 2.67Å
432C98.5Very high97.8Very high0 Ų033.9 Ų33.90%018%0.175CC..EExtended strand (participates in β ladder)trans-118130.7177.1-600000110.1E360 T410 R411E360-C432 HydrophobicContact CB-CB 4.02Å; E360-C432 HydrophobicContact CG-CB 4.41Å; T410-C432 CarbonylContact C-O 3.59Å; T410-C432 VanDerWaalsContact CA-O 3.24Å; T410-C432 WeakPolarHBondContact CA-O 3.4Å; R411-C432 PolarHBondContact N-O 3.39Å; R411-C432 PolarHBondContact O-N 2.93Å
433H98.4Very high98Very high52 Ų5232.9 Ų32.924%0.24117%0.165CC..EExtended strand (participates in β ladder)trans-75.8161.5156.9-53.777.6000109.1E360 V364 A409 T410E360-H433 IonicContact OE1-ND1 2.88Å; E360-H433 IonicContact OE2-CE1 2.83Å; E360-H433 IonicContact OE2-CG 2.69Å; E360-H433 PolarHBondContact OE2-N 3Å; E360-H433 IonicContact OE2-ND1 3.71Å; E360-H433 PolarHBondContact OE2-ND1 2.62Å; V364-H433 HydrophobicContact CG2-CB 3.94Å; A409-H433 WeakPolarHBondContact O-CA 3.31Å; T410-H433 HydrophobicContact CG2-CB 4.45Å; T410-H433 WeakPolarHBondContact CG2-CD2 3.37Å
434G96.7Very high98Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans79.898.1-177.600000111.8S356 W405 D406 A409S356-G434 WeakPolarHBondContact CB-O 2.96Å; S356-G434 PolarHBondContact OG-O 3.01Å; W405-G434 VanDerWaalsContact CE2-C 3.44Å; W405-G434 VanDerWaalsContact CH2-O 3.23Å; W405-G434 WeakPolarHBondContact CH2-O 3.46Å; W405-G434 WeakPolarHBondContact CZ2-O 3.33Å; W405-G434 VanDerWaalsContact NE1-CA 3.31Å; D406-G434 CarbonylContact O-C 3.52Å; D406-G434 WeakPolarHBondContact O-CA 3.16Å; A409-G434 PolarHBondContact O-N 3.18Å; A409-G434 VanDerWaalsContact O-N 3.13Å
435V96.6Very high98Very high26 Ų2634.6 Ų34.616%0.15817%0.167CC..EExtended strand (participates in β ladder)trans-126.2134.3-178.9-177.90000109.8D406 A409 R411 L437D406-V435 PolarHBondContact N-O 3.39Å; D406-V435 PolarHBondContact O-N 3.19Å; A409-V435 HydrophobicContact CB-CB 4.18Å; A409-V435 HydrophobicContact CB-CG2 4.15Å; R411-V435 HydrophobicContact CB-CG2 3.98Å; R411-V435 HydrophobicContact CG-CG2 3.93Å; V435-L437 PolarHBondContact O-N 2.8Å
436P97.5Very high98Very high18 Ų1834.7 Ų34.712%0.11717%0.168CC..EExtended strand (participates in β ladder)trans-70.6110.9170.829.7-32.1000109.1M91 V403 W405M91-P436 WeakPolarHBondContact O-CG 3.33Å; V403-P436 HydrophobicContact CG1-CB 3.92Å; W405-P436 HydrophobicContact CE3-CB 4.09Å; W405-P436 HydrophobicContact CZ3-CB 4.08Å; W405-P436 HydrophobicContact CZ3-CG 4.18Å
437L97.5Very high97.9Very high46 Ų4634.3 Ų34.324%0.24117%0.166CC..EExtended strand (participates in β ladder)trans-78.9-40.9174.6-66.6-176.5000111.2K56 V404 D406 V435 N449K56-L437 HydrophobicContact CD-CD1 3.71Å; K56-L437 HydrophobicContact CG-CD1 4.3Å; V404-L437 PolarHBondContact O-N 3.43Å; D406-L437 HydrophobicContact CB-CD1 3.73Å; D406-L437 HydrophobicContact CB-CD2 4.14Å; D406-L437 HydrophobicContact CB-CG 3.73Å; V435-L437 PolarHBondContact O-N 2.8Å; L437-N449 PolarHBondContact O-N 3.28Å
438V98.5Very high97.8Very high8 Ų836.5 Ų36.55%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-136.8132.5-178.7171.50000109.5I51 V403 V404 I440 L445 C447 E448I51-V438 HydrophobicContact CD1-CG1 4.13Å; I51-V438 HydrophobicContact CG2-CG2 4.17Å; V403-V438 WeakPolarHBondContact CA-O 3.39Å; V404-V438 HydrophobicContact CB-CB 3.99Å; V404-V438 HydrophobicContact CG2-CB 4.08Å; V404-V438 HydrophobicContact CG2-CG1 4.46Å; V404-V438 PolarHBondContact N-O 3.36Å; V404-V438 PolarHBondContact O-N 3.24Å; V438-I440 HydrophobicContact CG1-CD1 4.47Å; V438-I440 HydrophobicContact CG1-CG1 3.92Å; V438-L445 HydrophobicContact CB-CD1 4.41Å; V438-L445 HydrophobicContact CG1-CD1 3.25Å; V438-C447 WeakPolarHBondContact CA-O 3.38Å; V438-E448 HydrophobicContact CG2-CG 4.2Å
439T98.8Very high97.2Very high1 Ų137.8 Ų37.81%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-117.2126.4168.3-52.80000109.1L90 T95 V403 V446 C447L90-T439 HydrophobicContact CB-CG2 4.47Å; L90-T439 HydrophobicContact CD2-CG2 3.81Å; L90-T439 WeakPolarHBondContact O-CB 3.49Å; L90-T439 WeakPolarHBondContact O-CG2 3.2Å; L90-T439 PolarHBondContact O-OG1 3.1Å; T95-T439 HydrophobicContact CG2-CG2 3.65Å; V403-T439 HydrophobicContact CG2-CG2 4.31Å; T439-V446 HydrophobicContact CG2-CG2 4.14Å; T439-V446 WeakPolarHBondContact O-CG2 3.27Å; T439-V446 PolarHBondContact O-N 2.84Å; T439-C447 PolarHBondContact N-O 2.77Å; T439-C447 PolarHBondContact O-N 2.69Å
440I98.8Very high96.8Very high1 Ų138.2 Ų38.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-111.1128.4174.4-55.7176.6000107.5I10 I12 I30 I51 A400 D401 V402 V438 R444I10-I440 HydrophobicContact CD1-CD1 4.21Å; I10-I440 HydrophobicContact CD1-CG2 4.31Å; I10-I440 HydrophobicContact CG2-CD1 4.08Å; I12-I440 HydrophobicContact CD1-CD1 3.84Å; I12-I440 HydrophobicContact CG1-CD1 4.25Å; I30-I440 HydrophobicContact CD1-CD1 3.99Å; I30-I440 HydrophobicContact CD1-CG2 4.45Å; I51-I440 HydrophobicContact CD1-CD1 3.89Å; A400-I440 WeakPolarHBondContact O-CG2 3.39Å; D401-I440 CarbonylContact C-O 3.52Å; D401-I440 WeakPolarHBondContact CA-O 3.32Å; V402-I440 HydrophobicContact CB-CB 4.38Å; V402-I440 PolarHBondContact N-O 2.72Å; V402-I440 PolarHBondContact O-N 3.13Å; V438-I440 HydrophobicContact CG1-CD1 4.47Å; V438-I440 HydrophobicContact CG1-CG1 3.92Å; I440-R444 CarbonylContact C-O 3.26Å; I440-R444 VanDerWaalsContact CA-O 3.26Å; I440-R444 WeakPolarHBondContact CA-O 3.45Å; I440-R444 WeakPolarHBondContact CG2-O 3.39Å
441S98.6Very high96.6Very high4 Ų441 Ų413%0.02821%0.21CC..EExtended strand (participates in β ladder)trans-126.6127.6176.2173.40000108.4D401 G443 R444D401-S441 WeakPolarHBondContact OD1-CA 3.48Å; S441-G443 PolarHBondContact O-N 2.82Å; S441-G443 VanDerWaalsContact O-N 3.17Å; S441-R444 PolarHBondContact N-O 2.99Å; S441-R444 WeakPolarHBondContact O-CB 3.35Å; S441-R444 PolarHBondContact O-N 3.42Å
442R97.9Very high96.6Very high87 Ų8736.2 Ų36.233%0.32819%0.192SC..THydrogen-bonded Turntrans5237.6-176.7-50.2-178.862.669.212.7112.6G33 D127 A400 D401 R444G33-R442 VanDerWaalsContact CA-O 3.24Å; G33-R442 WeakPolarHBondContact CA-O 3.45Å; D127-R442 VanDerWaalsContact CG-NH1 3.32Å; D127-R442 VanDerWaalsContact OD1-CD 3.31Å; D127-R442 WeakPolarHBondContact OD1-CD 3.36Å; D127-R442 IonicContact OD1-CZ 3.61Å; D127-R442 IonicContact OD1-NE 3.57Å; D127-R442 IonicContact OD1-NH1 2.93Å; D127-R442 PolarHBondContact OD1-NH1 3.49Å; D127-R442 IonicContact OD2-NH1 3.41Å; D127-R442 PolarHBondContact OD2-NH1 3.07Å; A400-R442 PolarHBondContact O-N 3.45Å; D401-R442 PolarHBondContact OD1-N 3.05Å; R442-R444 PolarHBondContact O-N 3.08Å
443G97.6Very high96.4Very high1 Ų142.3 Ų42.31%0.0122%0.223CC..THydrogen-bonded Turntrans67.716.8-177.800000115.4I10 A400 S441I10-G443 WeakPolarHBondContact CD1-O 3.18Å; A400-G443 PolarHBondContact O-N 3.21Å; S441-G443 PolarHBondContact O-N 2.82Å; S441-G443 VanDerWaalsContact O-N 3.17Å
444R97.6Very high96.3Very high124 Ų12440.7 Ų40.747%0.46822%0.217SC..EExtended strand (participates in β ladder)trans-111.1135.8174.7-55.9-174.4175.9-178.4-3.1109.5M8 I440 S441 R442 V446M8-R444 HydrophobicContact SD-CB 4.07Å; M8-R444 HydrophobicContact SD-CG 3.76Å; I440-R444 CarbonylContact C-O 3.26Å; I440-R444 VanDerWaalsContact CA-O 3.26Å; I440-R444 WeakPolarHBondContact CA-O 3.45Å; I440-R444 WeakPolarHBondContact CG2-O 3.39Å; S441-R444 PolarHBondContact N-O 2.99Å; S441-R444 WeakPolarHBondContact O-CB 3.35Å; S441-R444 PolarHBondContact O-N 3.42Å; R442-R444 PolarHBondContact O-N 3.08Å; R444-V446 HydrophobicContact CB-CG1 4.4Å; R444-V446 PolarHBondContact O-N 3.35Å
445L96.9Very high96.3Very high23 Ų2343.8 Ų43.812%0.1224%0.242CC..EExtended strand (participates in β ladder)trans-67.7114.9169.6-178.767.3000109.3K49 I51 V438 C447 E448K49-L445 HydrophobicContact CD-CD2 4.23Å; I51-L445 HydrophobicContact CD1-CD1 4.49Å; V438-L445 HydrophobicContact CB-CD1 4.41Å; V438-L445 HydrophobicContact CG1-CD1 3.25Å; L445-C447 WeakPolarHBondContact CD1-O 3.29Å; L445-E448 HydrophobicContact CD1-CB 4.13Å; L445-E448 HydrophobicContact CD2-CB 4.08Å; L445-E448 HydrophobicContact CD2-CG 4.4Å; L445-E448 WeakPolarHBondContact CD2-OE2 3.34Å; L445-E448 HydrophobicContact CG-CB 4.3Å
446V98.1Very high96.3Very high5 Ų548.6 Ų48.63%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-115.7-24-176.2-68.20000113.1L90 T439 R444 M453 C454L90-V446 HydrophobicContact CB-CG2 4.48Å; L90-V446 HydrophobicContact CD1-CB 4.37Å; L90-V446 HydrophobicContact CD1-CG2 4.03Å; L90-V446 HydrophobicContact CD2-CG2 3.85Å; L90-V446 HydrophobicContact CG-CG2 4.35Å; T439-V446 HydrophobicContact CG2-CG2 4.14Å; T439-V446 WeakPolarHBondContact O-CG2 3.27Å; T439-V446 PolarHBondContact O-N 2.84Å; R444-V446 HydrophobicContact CB-CG1 4.4Å; R444-V446 PolarHBondContact O-N 3.35Å; V446-M453 PolarHBondContact O-N 3.45Å; V446-C454 HydrophobicContact CB-CB 4Å; V446-C454 HydrophobicContact CG1-CB 3.83Å
447C96.9Very high96.3Very high8 Ų848.5 Ų48.55%0.05427%0.266CS..EExtended strand (participates in β ladder)trans-135.1132.8170.4-57.10000109.1M91 V438 T439 L445 V451M91-C447 HydrophobicContact SD-CB 4.11Å; V438-C447 WeakPolarHBondContact CA-O 3.38Å; T439-C447 PolarHBondContact N-O 2.77Å; T439-C447 PolarHBondContact O-N 2.69Å; L445-C447 WeakPolarHBondContact CD1-O 3.29Å; C447-V451 WeakPolarHBondContact CA-O 3.48Å
448E95.5Very high96.3Very high50 Ų5047.7 Ų47.723%0.23426%0.264CS..EExtended strand (participates in β ladder)trans-145.4124.1173.5-174168.5-119.500108.3K49 V438 L445 G450 V451K49-E448 IonicContact NZ-OE1 2.9Å; K49-E448 PolarHBondContact NZ-OE1 2.9Å; K49-E448 IonicContact NZ-OE2 3.73Å; K49-E448 PolarHBondContact NZ-OE2 3.27Å; V438-E448 HydrophobicContact CG2-CG 4.2Å; L445-E448 HydrophobicContact CD1-CB 4.13Å; L445-E448 HydrophobicContact CD2-CB 4.08Å; L445-E448 HydrophobicContact CD2-CG 4.4Å; L445-E448 WeakPolarHBondContact CD2-OE2 3.34Å; L445-E448 HydrophobicContact CG-CB 4.3Å; E448-G450 VanDerWaalsContact C-N 3.28Å; E448-G450 PolarHBondContact O-N 2.72Å; E448-V451 PolarHBondContact N-O 3.28Å; E448-V451 VanDerWaalsContact N-O 3.11Å; E448-V451 WeakPolarHBondContact O-CB 3.16Å; E448-V451 PolarHBondContact O-N 3.29Å
449N86.5Confident96.2Very high126 Ų12647.3 Ų47.367%0.67426%0.261SS*.THydrogen-bonded Turntrans51.642.7176-59.2-37.1000114L437 V451L437-N449 PolarHBondContact O-N 3.28Å; N449-V451 VanDerWaalsContact C-N 3.26Å; N449-V451 PolarHBondContact O-N 3.43Å
450G88.2Confident96.2Very high59 Ų5951.7 Ų51.761%0.60828%0.28SS*.THydrogen-bonded Turntrans76.55.4-179.900000115.1M91 E448M91-G450 WeakPolarHBondContact CE-O 3.35Å; E448-G450 VanDerWaalsContact C-N 3.28Å; E448-G450 PolarHBondContact O-N 2.72Å
451V95.4Very high96.2Very high84 Ų8452.8 Ų52.851%0.50929%0.285SS..EExtended strand (participates in β ladder)trans-100.3124.2175.2-175.60000109.9C447 E448 N449 M453C447-V451 WeakPolarHBondContact CA-O 3.48Å; E448-V451 PolarHBondContact N-O 3.28Å; E448-V451 VanDerWaalsContact N-O 3.11Å; E448-V451 WeakPolarHBondContact O-CB 3.16Å; E448-V451 PolarHBondContact O-N 3.29Å; N449-V451 VanDerWaalsContact C-N 3.26Å; N449-V451 PolarHBondContact O-N 3.43Å; V451-M453 HydrophobicContact CG1-CG 3.93Å; V451-M453 HydrophobicContact CG1-SD 4.38Å
452F97.6Very high96.1Very high37 Ų3753.5 Ų53.516%0.16229%0.287CS..EExtended strand (participates in β ladder)trans-90.5131.6175.5-179.1-103.4000111.5Y83 K87 L90 M91 C125 C454Y83-F452 HydrophobicContact CE2-CE1 4.28Å; K87-F452 HydrophobicContact CB-CD2 4.49Å; K87-F452 HydrophobicContact CB-CE1 4.16Å; K87-F452 HydrophobicContact CB-CE2 3.91Å; K87-F452 HydrophobicContact CB-CZ 3.69Å; K87-F452 HydrophobicContact CD-CD1 3.81Å; K87-F452 HydrophobicContact CD-CE1 3.84Å; K87-F452 HydrophobicContact CD-CG 4.16Å; K87-F452 HydrophobicContact CD-CZ 4.22Å; K87-F452 HydrophobicContact CG-CD1 3.92Å; K87-F452 HydrophobicContact CG-CD2 3.8Å; K87-F452 HydrophobicContact CG-CE1 3.83Å; K87-F452 HydrophobicContact CG-CE2 3.72Å; K87-F452 HydrophobicContact CG-CG 3.87Å; K87-F452 HydrophobicContact CG-CZ 3.7Å; L90-F452 HydrophobicContact CB-CE2 4.37Å; L90-F452 HydrophobicContact CD1-CE2 3.94Å; M91-F452 HydrophobicContact CG-CB 4.49Å; M91-F452 HydrophobicContact CG-CD2 4.24Å; M91-F452 HydrophobicContact SD-CB 3.85Å; M91-F452 HydrophobicContact SD-CD2 4.34Å; C125-F452 HydrophobicContact CB-CZ 4.07Å; F452-C454 HydrophobicContact CE1-CB 4.03Å; F452-C454 VanDerWaalsContact CE1-O 3.28Å; F452-C454 WeakPolarHBondContact CE1-O 3.31Å; F452-C454 HydrophobicContact CE2-CB 3.8Å; F452-C454 HydrophobicContact CZ-CB 3.47Å; F452-C454 VanDerWaalsContact CZ-CB 3.47Å
453M95.9Very high96.1Very high128 Ų12853.1 Ų53.163%0.63130%0.296SS*.  trans-138.940.8-172.1-54.3-17880.900113V446 V451V446-M453 PolarHBondContact O-N 3.45Å; V451-M453 HydrophobicContact CG1-CG 3.93Å; V451-M453 HydrophobicContact CG1-SD 4.38Å
454C96Very high95.9Very high18 Ų1853.2 Ų53.212%0.12230%0.296CS..  trans-116.1138178.8-168.40000112.1C125 V446 F452 S458C125-C454 HydrophobicContact CB-CB 4.3Å; C125-C454 PolarHBondContact O-SG 2.91Å; V446-C454 HydrophobicContact CB-CB 4Å; V446-C454 HydrophobicContact CG1-CB 3.83Å; F452-C454 HydrophobicContact CE1-CB 4.03Å; F452-C454 VanDerWaalsContact CE1-O 3.28Å; F452-C454 WeakPolarHBondContact CE1-O 3.31Å; F452-C454 HydrophobicContact CE2-CB 3.8Å; F452-C454 HydrophobicContact CZ-CB 3.47Å; F452-C454 VanDerWaalsContact CZ-CB 3.47Å; C454-S458 WeakPolarHBondContact SG-CB 3.45Å
455A95.8Very high95.9Very high65 Ų6557.1 Ų57.154%0.53731%0.311SS..  trans-77151171.700000110.8S458A455-S458 VanDerWaalsContact O-CB 3.31Å; A455-S458 WeakPolarHBondContact O-CB 3.31Å; A455-S458 PolarHBondContact O-N 2.71Å; A455-S458 PolarHBondContact O-OG 3.29Å
456E97Very high95.9Very high128 Ų12857.7 Ų57.760%0.59832%0.316SS*.THydrogen-bonded Turntrans-57.6146.7167.261.4-177.2-161.300111.3Y83 S458Y83-E456 HydrophobicContact CD2-CB 3.68Å; Y83-E456 HydrophobicContact CE2-CB 4.11Å; E456-S458 PolarHBondContact O-N 3.37Å
457G97.1Very high95.9Very high16 Ų1662.3 Ų62.317%0.16534%0.335CS..THydrogen-bonded Turntrans70.68.1-18000000115.5A122 K123 A124 G459 K460A122-G457 WeakPolarHBondContact O-CA 3.36Å; A122-G457 PolarHBondContact O-N 3.38Å; K123-G457 VanDerWaalsContact C-N 3.35Å; K123-G457 PolarHBondContact O-N 2.99Å; A124-G457 CarbonylContact O-C 3.58Å; A124-G457 VanDerWaalsContact O-CA 3.32Å; A124-G457 WeakPolarHBondContact O-CA 3.18Å; A124-G457 PolarHBondContact O-N 3.47Å; G457-G459 VanDerWaalsContact C-N 3.33Å; G457-K460 PolarHBondContact O-NZ 3.18Å
458S97.3Very high96Very high28 Ų2862 Ų6220%0.19633%0.333CS..  trans-68.8-32.9176.2-64.80000112.6A124 C454 A455 E456A124-S458 PolarHBondContact O-N 3.19Å; A124-S458 VanDerWaalsContact O-N 3.14Å; C454-S458 WeakPolarHBondContact SG-CB 3.45Å; A455-S458 VanDerWaalsContact O-CB 3.31Å; A455-S458 WeakPolarHBondContact O-CB 3.31Å; A455-S458 PolarHBondContact O-N 2.71Å; A455-S458 PolarHBondContact O-OG 3.29Å; E456-S458 PolarHBondContact O-N 3.37Å
459G97.8Very high96.1Very high0 Ų064.4 Ų64.40%035%0.347CS..SBendtrans-64160.6172.800000112.1A124 C126 G457A124-G459 WeakPolarHBondContact O-CA 3.37Å; A124-G459 PolarHBondContact O-N 3.47Å; C126-G459 VanDerWaalsContact O-CA 3.28Å; C126-G459 WeakPolarHBondContact O-CA 3.35Å; G457-G459 VanDerWaalsContact C-N 3.33Å
460K98.3Very high96.6Very high94 Ų9461.9 Ų61.941%0.40933%0.329SS..  trans-128.6142.3174.3-61.3-66.2157.8-133.40111D127 Y128 G457 Y462D127-K460 WeakPolarHBondContact CA-O 3.18Å; D127-K460 PolarHBondContact OD1-N 2.93Å; Y128-K460 PolarHBondContact N-O 3.34Å; G457-K460 PolarHBondContact O-NZ 3.18Å; K460-Y462 PolarHBondContact O-N 3Å
461F98.6Very high97Very high23 Ų2359.2 Ų59.210%0.10130%0.301CS..BIsolated β-bridgetrans-57.6136.2163.2176.8-103.1000109.8Y113 R117 Y128 L130 H152 P463Y113-F461 WeakPolarHBondContact OH-CZ 3.35Å; R117-F461 VanDerWaalsContact CZ-CD2 3.43Å; R117-F461 VanDerWaalsContact NH1-CZ 3.31Å; R117-F461 VanDerWaalsContact NH2-CG 3.33Å; Y128-F461 HydrophobicContact CD2-CD2 4.27Å; Y128-F461 HydrophobicContact CE1-CB 3.91Å; Y128-F461 VanDerWaalsContact CE1-N 3.32Å; Y128-F461 HydrophobicContact CE2-CB 4.29Å; Y128-F461 AromaticContact CE2-CD2 3.83Å; Y128-F461 HydrophobicContact CE2-CD2 3.83Å; Y128-F461 CarbonylContact O-C 3.54Å; Y128-F461 WeakPolarHBondContact O-CA 3.36Å; L130-F461 HydrophobicContact CB-CE2 4.43Å; L130-F461 HydrophobicContact CG-CE2 4.28Å; H152-F461 WeakPolarHBondContact O-CE1 3.46Å; H152-F461 WeakPolarHBondContact O-CZ 3.33Å; F461-P463 HydrophobicContact CD1-CG 3.87Å; F461-P463 HydrophobicContact CE1-CB 4.01Å; F461-P463 HydrophobicContact CE1-CG 3.78Å; F461-P463 WeakPolarHBondContact O-CD 3.36Å
462Y96.5Very high97.2Very high19 Ų1955.9 Ų55.98%0.07528%0.279CS..  trans-112.1102.4179.7-156.8-67.9000109.7Y128 L387 R390 K391 K460 Q464Y128-Y462 PolarHBondContact O-N 3.34Å; L387-Y462 HydrophobicContact CD2-CD1 3.3Å; L387-Y462 HydrophobicContact CD2-CE1 3.25Å; L387-Y462 HydrophobicContact CD2-CG 4.19Å; R390-Y462 WeakPolarHBondContact CD-OH 3.31Å; R390-Y462 WeakPolarHBondContact CG-OH 3.49Å; R390-Y462 VanDerWaalsContact CZ-CZ 3.47Å; R390-Y462 PolarHBondContact NE-OH 3.13Å; R390-Y462 VanDerWaalsContact NE-OH 3.15Å; R390-Y462 PolarHBondContact NH1-OH 3.24Å; K391-Y462 HydrophobicContact CD-CE2 4.43Å; K391-Y462 VanDerWaalsContact CE-CD2 3.4Å; K460-Y462 PolarHBondContact O-N 3Å; Y462-Q464 PolarHBondContact O-N 3.39Å; Y462-Q464 PolarHBondContact O-NE2 3.49Å
463P96.9Very high97.1Very high79 Ų7960.9 Ų60.951%0.51330%0.301SS..PPolyproline II helixtrans-60.9124.2176.3-20.431.5000110.6F461F461-P463 HydrophobicContact CD1-CG 3.87Å; F461-P463 HydrophobicContact CE1-CB 4.01Å; F461-P463 HydrophobicContact CE1-CG 3.78Å; F461-P463 WeakPolarHBondContact O-CD 3.36Å
464Q95.1Very high97Very high4 Ų459.8 Ų59.82%0.01929%0.293CS..PPolyproline II helixtrans-95.7129.5175.9-46.6100.654.900110.4A129 G153 N155 L387 Y462A129-Q464 HydrophobicContact CB-CG 4.48Å; G153-Q464 PolarHBondContact O-N 3.45Å; N155-Q464 HydrophobicContact CB-CB 3.97Å; N155-Q464 WeakPolarHBondContact ND2-CB 3.43Å; N155-Q464 PolarHBondContact OD1-OE1 3.24Å; L387-Q464 HydrophobicContact CD2-CG 4.12Å; Y462-Q464 PolarHBondContact O-N 3.39Å; Y462-Q464 PolarHBondContact O-NE2 3.49Å
465R96.6Very high97Very high206 Ų20659.7 Ų59.778%0.77729%0.291SS*.PPolyproline II helixtrans-75.5145.5172.9-67-178.6-179.2179.20.1110.1N155 N386N155-R465 PolarHBondContact ND2-O 3.38Å; N386-R465 WeakPolarHBondContact CB-O 3.35Å; N386-R465 PolarHBondContact ND2-O 3.31Å
466T97.6Very high96.9Very high35 Ų3560.2 Ų60.222%0.21529%0.287CS..SBendtrans-76.4175.4172.751.40000112.6V149 N155 I184 G185 N386V149-T466 HydrophobicContact CB-CG2 4.15Å; V149-T466 HydrophobicContact CG1-CG2 3.34Å; V149-T466 HydrophobicContact CG2-CG2 3.83Å; N155-T466 HydrophobicContact CB-CG2 3.9Å; I184-T466 VanDerWaalsContact O-CB 3.31Å; I184-T466 WeakPolarHBondContact O-CB 3.25Å; I184-T466 WeakPolarHBondContact O-CG2 3.41Å; G185-T466 WeakPolarHBondContact O-CB 3.26Å; N386-T466 PolarHBondContact ND2-O 2.75Å
467F98.1Very high96.8Very high102 Ų10259.2 Ų59.245%0.44728%0.282SS..SBendtrans53.454.9-175.2-58.2-84.3000112.9G185 D469 Y472G185-F467 VanDerWaalsContact CA-CZ 3.49Å; G185-F467 PolarHBondContact O-N 2.89Å; F467-D469 PolarHBondContact O-N 3.26Å; F467-D469 VanDerWaalsContact O-N 3.08Å; F467-Y472 AromaticContact CD1-CD1 3.82Å; F467-Y472 HydrophobicContact CD1-CD1 3.82Å; F467-Y472 HydrophobicContact CD1-CE1 4.19Å; F467-Y472 HydrophobicContact CD1-CG 4.08Å; F467-Y472 HydrophobicContact CE1-CD1 4.35Å; F467-Y472 HydrophobicContact CE1-CE1 4.39Å
468P97.9Very high96.6Very high0 Ų060.9 Ų60.90%028%0.284CS..  trans-53.7120.2173.420.4-31.3000110.1I187 I384 N386 Y470 L471 Y472I187-P468 HydrophobicContact CD1-CG 4.37Å; I187-P468 HydrophobicContact CG1-CG 4.27Å; I384-P468 WeakPolarHBondContact O-CB 3.47Å; I384-P468 WeakPolarHBondContact O-CG 3.4Å; N386-P468 HydrophobicContact CB-CB 3.95Å; P468-Y470 PolarHBondContact O-N 2.86Å; P468-Y470 VanDerWaalsContact O-N 3.12Å; P468-L471 HydrophobicContact CB-CG 4.49Å; P468-L471 HydrophobicContact CG-CB 4.2Å; P468-L471 HydrophobicContact CG-CD1 3.83Å; P468-L471 HydrophobicContact CG-CG 4.06Å; P468-L471 PolarHBondContact O-N 2.78Å; P468-Y472 HydrophobicContact CG-CD2 3.96Å; P468-Y472 HydrophobicContact CG-CE2 4.33Å; P468-Y472 PolarHBondContact O-N 3.31Å
469D97.7Very high96.2Very high101 Ų10163.1 Ų63.154%0.5429%0.291SS..Hα-helixtrans-53.6-37.3-177.7-105.225.7000111.7F467 L471 K473F467-D469 PolarHBondContact O-N 3.26Å; F467-D469 VanDerWaalsContact O-N 3.08Å; D469-L471 PolarHBondContact O-N 2.85Å; D469-K473 WeakPolarHBondContact O-CB 3.29Å; D469-K473 PolarHBondContact O-N 2.84Å; D469-K473 VanDerWaalsContact O-N 3.09Å
470Y97.6Very high95.9Very high73 Ų7369.7 Ų69.729%0.28632%0.32SS..Hα-helixtrans-54.2-35.3178-171-113.2000113.2H268 K383 I384 P468H268-Y470 AromaticContact CE1-CE1 3.5Å; H268-Y470 VanDerWaalsContact CE1-CE1 3.5Å; H268-Y470 WeakPolarHBondContact CE1-CE1 3.29Å; K383-Y470 HydrophobicContact CB-CD1 3.99Å; K383-Y470 HydrophobicContact CB-CD2 4.01Å; K383-Y470 HydrophobicContact CB-CE1 4.42Å; K383-Y470 HydrophobicContact CB-CE2 4.45Å; K383-Y470 HydrophobicContact CB-CG 3.77Å; K383-Y470 HydrophobicContact CD-CD2 4.23Å; K383-Y470 HydrophobicContact CD-CE2 4.13Å; K383-Y470 HydrophobicContact CG-CD2 4.5Å; K383-Y470 WeakPolarHBondContact O-CB 3.37Å; I384-Y470 HydrophobicContact CD1-CE1 4.4Å; I384-Y470 HydrophobicContact CG1-CD1 3.74Å; I384-Y470 HydrophobicContact CG1-CE1 3.73Å; P468-Y470 PolarHBondContact O-N 2.86Å; P468-Y470 VanDerWaalsContact O-N 3.12Å
471L96.8Very high95.5Very high4 Ų471.7 Ų71.72%0.02134%0.335CS..Hα-helixtrans-99.6-48.7179.8-52.3-177.5000111.9I187 P242 H268 I384 P468 D469 K474 M475I187-L471 HydrophobicContact CD1-CD1 4.28Å; I187-L471 HydrophobicContact CG1-CD1 3.77Å; I187-L471 HydrophobicContact CG2-CD1 4.39Å; P242-L471 HydrophobicContact CB-CB 4.22Å; P242-L471 HydrophobicContact CG-CB 4.35Å; H268-L471 WeakPolarHBondContact CD2-CD2 3.5Å; H268-L471 VanDerWaalsContact NE2-CD2 3.31Å; H268-L471 WeakPolarHBondContact NE2-CD2 3.33Å; I384-L471 HydrophobicContact CG1-CD2 4.42Å; I384-L471 HydrophobicContact CG2-CD1 4.34Å; P468-L471 HydrophobicContact CB-CG 4.49Å; P468-L471 HydrophobicContact CG-CB 4.2Å; P468-L471 HydrophobicContact CG-CD1 3.83Å; P468-L471 HydrophobicContact CG-CG 4.06Å; P468-L471 PolarHBondContact O-N 2.78Å; D469-L471 PolarHBondContact O-N 2.85Å; L471-K474 WeakPolarHBondContact O-CG 3.3Å; L471-M475 WeakPolarHBondContact O-CG 3.37Å
472Y98Very high95Very high13 Ų1374.8 Ų74.85%0.05135%0.35CS..Hα-helixtrans-87-23.8-165.4-83.7-89.5000114.3C181 G185 A186 P242 F467 P468 K474 M475 V476C181-Y472 PolarHBondContact O-OH 3Å; G185-Y472 WeakPolarHBondContact O-CE2 3.42Å; A186-Y472 PolarHBondContact N-OH 3.31Å; A186-Y472 PolarHBondContact O-OH 3.04Å; P242-Y472 HydrophobicContact CG-CD2 4.34Å; P242-Y472 HydrophobicContact CG-CE1 4.31Å; P242-Y472 HydrophobicContact CG-CE2 3.69Å; F467-Y472 AromaticContact CD1-CD1 3.82Å; F467-Y472 HydrophobicContact CD1-CD1 3.82Å; F467-Y472 HydrophobicContact CD1-CE1 4.19Å; F467-Y472 HydrophobicContact CD1-CG 4.08Å; F467-Y472 HydrophobicContact CE1-CD1 4.35Å; F467-Y472 HydrophobicContact CE1-CE1 4.39Å; P468-Y472 HydrophobicContact CG-CD2 3.96Å; P468-Y472 HydrophobicContact CG-CE2 4.33Å; P468-Y472 PolarHBondContact O-N 3.31Å; Y472-K474 VanDerWaalsContact C-N 3.3Å; Y472-K474 PolarHBondContact O-N 2.92Å; Y472-M475 HydrophobicContact CD1-CB 4.5Å; Y472-M475 WeakPolarHBondContact O-CA 3.49Å; Y472-M475 WeakPolarHBondContact O-CB 3.4Å; Y472-M475 PolarHBondContact O-N 3.11Å; Y472-V476 PolarHBondContact O-N 3.37Å
473K97.1Very high94.5Very high142 Ų14276.6 Ų76.662%0.61737%0.369SS*.Hα-helixtrans-59.8-40.1-178-170171.3-175.11670112.6D469D469-K473 WeakPolarHBondContact O-CB 3.29Å; D469-K473 PolarHBondContact O-N 2.84Å; D469-K473 VanDerWaalsContact O-N 3.09Å
474K94Very high94.1Very high106 Ų10681 Ų8146%0.46138%0.376SS..Hα-helixtrans-73.3-31.1174.170.8-173.177.3166.90112.5V266 L471 Y472 Q477 R478V266-K474 HydrophobicContact CG1-CD 4.22Å; V266-K474 HydrophobicContact CG2-CD 3.8Å; V266-K474 HydrophobicContact CG2-CG 4.12Å; L471-K474 WeakPolarHBondContact O-CG 3.3Å; Y472-K474 VanDerWaalsContact C-N 3.3Å; Y472-K474 PolarHBondContact O-N 2.92Å; K474-Q477 PolarHBondContact O-N 3.41Å; K474-R478 PolarHBondContact O-N 3.42Å
475M94.4Very high94Very high16 Ų1690 Ų908%0.07942%0.415CS..Hα-helixtrans-66.1-39178.9-67.1-60.3-7300112.2R240 V266 L471 Y472 Q477 R478 E479R240-M475 HydrophobicContact CB-CE 4.25Å; R240-M475 WeakPolarHBondContact O-CE 3.33Å; V266-M475 HydrophobicContact CB-SD 3.86Å; V266-M475 HydrophobicContact CG1-SD 4.34Å; V266-M475 HydrophobicContact CG2-CG 4.38Å; V266-M475 HydrophobicContact CG2-SD 3.37Å; V266-M475 WeakPolarHBondContact CG2-SD 3.42Å; L471-M475 WeakPolarHBondContact O-CG 3.37Å; Y472-M475 HydrophobicContact CD1-CB 4.5Å; Y472-M475 WeakPolarHBondContact O-CA 3.49Å; Y472-M475 WeakPolarHBondContact O-CB 3.4Å; Y472-M475 PolarHBondContact O-N 3.11Å; M475-Q477 VanDerWaalsContact C-N 3.3Å; M475-Q477 PolarHBondContact O-N 3.43Å; M475-R478 WeakPolarHBondContact O-CB 3.43Å; M475-R478 PolarHBondContact O-N 2.83Å; M475-R478 VanDerWaalsContact O-N 3.17Å; M475-E479 WeakPolarHBondContact O-CB 3.47Å; M475-E479 PolarHBondContact O-N 3.06Å
476V94.2Very high93.8Very high76 Ų7683.7 Ų83.746%0.46141%0.414SS..Hα-helixtrans-55.2-45.7175172.20000111.5Y472 K480Y472-V476 PolarHBondContact O-N 3.37Å; V476-K480 WeakPolarHBondContact O-CG 2.99Å; V476-K480 PolarHBondContact O-N 2.7Å
477Q94.6Very high93.8Very high106 Ų10686.8 Ų86.850%0.49543%0.433SS..Hα-helixtrans-73.2-36.8178.4-64.8-65.94700112.5K474 M475 E479 K480 N481K474-Q477 PolarHBondContact O-N 3.41Å; M475-Q477 VanDerWaalsContact C-N 3.3Å; M475-Q477 PolarHBondContact O-N 3.43Å; Q477-E479 VanDerWaalsContact C-N 3.33Å; Q477-E479 PolarHBondContact O-N 2.95Å; Q477-K480 PolarHBondContact O-N 3.46Å; Q477-N481 WeakPolarHBondContact O-CB 3.46Å; Q477-N481 PolarHBondContact O-N 3.12Å; Q477-N481 PolarHBondContact O-ND2 3.39Å
478R92.8Very high93.6Very high51 Ų5188.9 Ų88.919%0.19245%0.454CS..Hα-helixtrans-58.7-45.1175-173.7-179.2-175.8122-0.9111.6N237 G264 K474 M475 K480 N481 Q482N237-R478 PolarHBondContact OD1-NH2 3.13Å; G264-R478 PolarHBondContact O-NH1 3.46Å; K474-R478 PolarHBondContact O-N 3.42Å; M475-R478 WeakPolarHBondContact O-CB 3.43Å; M475-R478 PolarHBondContact O-N 2.83Å; M475-R478 VanDerWaalsContact O-N 3.17Å; R478-K480 PolarHBondContact O-N 3.48Å; R478-N481 PolarHBondContact O-N 3.13Å; R478-Q482 HydrophobicContact CG-CG 4.25Å; R478-Q482 VanDerWaalsContact CG-OE1 3.3Å; R478-Q482 VanDerWaalsContact O-CB 3.31Å; R478-Q482 WeakPolarHBondContact O-CB 3.49Å; R478-Q482 WeakPolarHBondContact O-CG 2.82Å; R478-Q482 PolarHBondContact O-N 3.11Å
479E89.8Confident93.5Very high75 Ų7597.8 Ų97.835%0.3549%0.487SS..Hα-helixtrans-63.9-40.9-179.2-178.9155.7-141.700112.3K182 R240 M475 Q477 A483K182-E479 WeakPolarHBondContact CE-OE2 3.49Å; K182-E479 IonicContact NZ-OE1 3.99Å; K182-E479 PolarHBondContact NZ-OE1 2.92Å; K182-E479 IonicContact NZ-OE2 3.77Å; K182-E479 PolarHBondContact NZ-OE2 3.17Å; R240-E479 IonicContact NH1-OE1 2.72Å; M475-E479 WeakPolarHBondContact O-CB 3.47Å; M475-E479 PolarHBondContact O-N 3.06Å; Q477-E479 VanDerWaalsContact C-N 3.33Å; Q477-E479 PolarHBondContact O-N 2.95Å; E479-A483 PolarHBondContact O-N 3.16Å
480K90.9Very high93.4Very high139 Ų139100.3 Ų100.360%0.60450%0.501SS*.Hα-helixtrans-62.4-44174-70.3174.5-175.1175.90112.4V476 Q477 R478V476-K480 WeakPolarHBondContact O-CG 2.99Å; V476-K480 PolarHBondContact O-N 2.7Å; Q477-K480 PolarHBondContact O-N 3.46Å; R478-K480 PolarHBondContact O-N 3.48Å
481N90.5Very high93.3Very high136 Ų136102.5 Ų102.573%0.72752%0.524SS*.Hα-helixtrans-81.5-22.3-173.6-68.3-19.6000113.8Q477 R478Q477-N481 WeakPolarHBondContact O-CB 3.46Å; Q477-N481 PolarHBondContact O-N 3.12Å; Q477-N481 PolarHBondContact O-ND2 3.39Å; R478-N481 PolarHBondContact O-N 3.13Å
482Q88.1Confident93.2Very high88 Ų88110.6 Ų110.641%0.41156%0.555SS.*THydrogen-bonded Turntrans-105.622.7-178.9-61.8-176.7-16.500112.6R240 R478 Y484R240-Q482 PolarHBondContact NH2-O 3.39Å; R478-Q482 HydrophobicContact CG-CG 4.25Å; R478-Q482 VanDerWaalsContact CG-OE1 3.3Å; R478-Q482 VanDerWaalsContact O-CB 3.31Å; R478-Q482 WeakPolarHBondContact O-CB 3.49Å; R478-Q482 WeakPolarHBondContact O-CG 2.82Å; R478-Q482 PolarHBondContact O-N 3.11Å; Q482-Y484 PolarHBondContact O-N 3.23Å
483A86.8Confident93Very high57 Ų57115.9 Ų115.947%0.47160%0.595SS.*  trans-63.9125.2174.300000110.5E479E479-A483 PolarHBondContact O-N 3.16Å
484Y87.8Confident92.9Very high171 Ų171110.8 Ų110.867%0.67158%0.582SS**  trans-69135.3176.5-65.8-66.8000110R238 Q482R238-Y484 PolarHBondContact NH1-OH 2.93Å; R238-Y484 PolarHBondContact NH2-OH 3.05Å; Q482-Y484 PolarHBondContact O-N 3.23Å
485K92.1Very high92.8Very high193 Ų193113.2 Ų113.284%0.83960%0.6SS**  trans-118128.1175-62.6-176.6-178.2178.60109
486G93.7Very high92.7Very high74 Ų74118 Ų11876%0.76363%0.63SS**PPolyproline II helixtrans-64.8149.116900000110.4
487V96.3Very high92.4Very high100 Ų100118.4 Ų118.461%0.60664%0.641SS**PPolyproline II helixtrans-79.9123.1167.9-179.90000107.4R489V487-R489 HydrophobicContact CG1-CG 4.06Å; V487-R489 PolarHBondContact O-N 3.28Å
488V95.3Very high91.9Very high146 Ų146123.6 Ų123.689%0.88566%0.662SS**PPolyproline II helixtrans-68.7122.5172.4-177.90000108
489R95.6Very high91.3Very high187 Ų187126.7 Ų126.771%0.70669%0.687SS**  trans-132.2150.8177.1-62.3-171.2-179.588.8-1.7108.8V487V487-R489 HydrophobicContact CG1-CG 4.06Å; V487-R489 PolarHBondContact O-N 3.28Å
490D95.3Very high90.6Very high154 Ų154127.4 Ų127.482%0.82471%0.705SS**PPolyproline II helixtrans-60.8143.8165-63.9-39.3000109.5Y492D490-Y492 PolarHBondContact O-N 2.79Å
491P94.9Very high89.4Confident118 Ų118125.7 Ų125.777%0.76670%0.702SS**PPolyproline II helixtrans-55134.5172.9-24.234.2000110.6S493P491-S493 PolarHBondContact O-N 3.24Å; P491-S493 VanDerWaalsContact O-N 3.17Å
492Y95.4Very high87.9Confident174 Ų174125.2 Ų125.268%0.68271%0.705SS**PPolyproline II helixtrans-60.8119.3175.2174.7-103.6000109.9D490 G494 D495 V496D490-Y492 PolarHBondContact O-N 2.79Å; Y492-G494 VanDerWaalsContact CE1-C 3.44Å; Y492-G494 WeakPolarHBondContact CE1-O 3.36Å; Y492-G494 VanDerWaalsContact CZ-CA 3.45Å; Y492-G494 WeakPolarHBondContact OH-CA 3.4Å; Y492-D495 PolarHBondContact OH-O 3.13Å; Y492-V496 HydrophobicContact CD1-CG2 4.31Å; Y492-V496 HydrophobicContact CE1-CG2 3.8Å
493S94.4Very high86.5Confident125 Ų125128.1 Ų128.187%0.87472%0.72SS**  trans-106.30.8-177.858.50000114P491P491-S493 PolarHBondContact O-N 3.24Å; P491-S493 VanDerWaalsContact O-N 3.17Å
494G94.7Very high84.9Confident35 Ų35131.6 Ų131.636%0.36172%0.724SS.*SBendtrans-78.3170.1178.600000113Y492Y492-G494 VanDerWaalsContact CE1-C 3.44Å; Y492-G494 WeakPolarHBondContact CE1-O 3.36Å; Y492-G494 VanDerWaalsContact CZ-CA 3.45Å; Y492-G494 WeakPolarHBondContact OH-CA 3.4Å
495D91.6Very high82.9Confident156 Ų156132.9 Ų132.983%0.83473%0.734SS**  trans-65.5146.9175.9-67.1-34.9000111.6Y492Y492-D495 PolarHBondContact OH-O 3.13Å
496V91.2Very high80.9Confident118 Ų118132.2 Ų132.272%0.71573%0.734SS**  trans-113.4127.3173.2-178.10000108.7Y492 K498Y492-V496 HydrophobicContact CD1-CG2 4.31Å; Y492-V496 HydrophobicContact CE1-CG2 3.8Å; V496-K498 PolarHBondContact O-N 3.46Å
497A89.6Confident78.8Confident83 Ų83135.2 Ų135.269%0.68673%0.731SS**  trans-61.5134.7178.700000111.4V499A497-V499 PolarHBondContact O-N 3.22Å
498K83.2Confident76.4Confident216 Ų216134.1 Ų134.194%0.93974%0.74SS**  trans-74.8106.9170.5-70.3-174.4179-178.20109.2V496V496-K498 PolarHBondContact O-N 3.46Å
499V80.3Confident74Confident116 Ų116133.8 Ų133.870%0.70373%0.732SS**  trans-93.7116175.5-174.50000109.4A497 N501A497-V499 PolarHBondContact O-N 3.22Å; V499-N501 PolarHBondContact O-N 3.49Å
500A74.6Confident71.5Confident89 Ų89127.6 Ų127.674%0.73673%0.727SS**  trans-74.8103.8169.200000108.8T502A500-T502 PolarHBondContact O-N 3.24Å
501N65.6Low69.1Low103 Ų103125.6 Ų125.655%0.55172%0.723SS**  trans-80.584.9-178.7-125.6-10.9000110V499 M503 K504V499-N501 PolarHBondContact O-N 3.49Å; N501-M503 PolarHBondContact O-N 3.2Å; N501-K504 HydrophobicContact CB-CB 4.47Å; N501-K504 HydrophobicContact CB-CD 4.32Å; N501-K504 HydrophobicContact CB-CG 4.31Å; N501-K504 PolarHBondContact O-N 3.04Å
502T59.2Low66.9Low126 Ų126127.8 Ų127.877%0.77373%0.726SS**G310 helixtrans-61.5-23.7178.827.60000113.3A500A500-T502 PolarHBondContact O-N 3.24Å
503M59.3Low64.3Low149 Ų149126.5 Ų126.573%0.73473%0.731SS**G310 helixtrans-78.1-12.7176.4-65.6-154-160.700115N501 K505N501-M503 PolarHBondContact O-N 3.2Å; M503-K505 PolarHBondContact O-N 3.19Å
504K52.1Low61.8Low130 Ų130124.3 Ų124.357%0.56573%0.729SS**G310 helixtrans-70-21177.8-95.8-174.6173.4-176.60113.1N501N501-K504 HydrophobicContact CB-CB 4.47Å; N501-K504 HydrophobicContact CB-CD 4.32Å; N501-K504 HydrophobicContact CB-CG 4.31Å; N501-K504 PolarHBondContact O-N 3.04Å
505K47.2Very low58.9Low199 Ų199131.4 Ų131.487%0.86575%0.752SS**G310 helixtrans-77.5-19.8-175-141.6176.4-175.8-177.90113.3M503M503-K505 PolarHBondContact O-N 3.19Å
506E49Very low55.9Low179 Ų179129.8 Ų129.884%0.83675%0.753SS**THydrogen-bonded Turntrans-91.1-18.3-179.9-73.7-176.615700113.9
507L49.3Very low53.5Low137 Ų137129.9 Ų129.972%0.71776%0.756SS**THydrogen-bonded Turntrans-107.57.9-174-78.4165.3000115.3L509L507-L509 PolarHBondContact O-N 3.35Å
508G46.3Very low50.9Low76 Ų76133.4 Ų133.478%0.78476%0.763SS**THydrogen-bonded Turntrans6116.9167.300000116.8
509L46.4Very low48.4Very low139 Ų139133 Ų13373%0.72876%0.762SS**  trans-91.2112.2176.6-70.2167.7000109.7L507L507-L509 PolarHBondContact O-N 3.35Å
510G42.5Very low46.2Very low58 Ų58133.2 Ų133.260%0.59877%0.765SS**  trans-62.3164-177.900000114.3I512G510-I512 PolarHBondContact O-N 3.49Å
511P43.9Very low44.6Very low112 Ų112134.1 Ų134.173%0.72777%0.773SS**  trans-69.1132.6-176.4-7.422.5000111.2
512I49.8Very low42.9Very low164 Ų164134.1 Ų134.184%0.84179%0.787SS**  trans-96.979161.2-52.7173.1000105.8G510G510-I512 PolarHBondContact O-N 3.49Å
513D41Very low41.7Very low146 Ų146140 Ų14078%0.78180%0.795SS**  trans-115.1100170.4-72.9-31.6000108.1E515D513-E515 PolarHBondContact O-N 2.98Å
514G41.5Very low40.3Very low80 Ų80137 Ų13783%0.82579%0.794SS**  trans-82.289.8166.400000109.6
515E33.2Very low39.3Very low184 Ų184139.1 Ų139.186%0.8681%0.805SS**  trans-137.8114.9156.3-78.2-166.3160.600109.6D513D513-E515 PolarHBondContact O-N 2.98Å
516S29.9Very low38.7Very low121 Ų121138.5 Ų138.585%0.84681%0.806SS**  trans-138.4127.8157.5-85.60000108.2
517P40.5Very low37.8Very low120 Ų120133.6 Ų133.678%0.77980%0.803SS**  trans-86.2134.5-17732.7-31000111.5
518N35.1Very low37.3Very low157 Ų157134.1 Ų134.184%0.8481%0.812SS**  trans53.3113.1156.5-72.8-21.2000120.3
519K29Very low36.8Very low208 Ų208141.8 Ų141.890%0.90482%0.817SS**  -175161.1123-100.5179.4-177.3-179.80112.2
520P35.9Very low36.5Very low121 Ų121141.2 Ų141.279%0.78681%0.814SS**  trans-100173.1-136.940.1-37.6000115.7
521A40.5Very low36.5Very low107 Ų107146 Ų14688%0.88483%0.826SS**  trans-48.7135.1-175.400000116.3
522A30.3Very low36.3Very low103 Ų103148.9 Ų148.985%0.85183%0.829SS**  trans-146.8141.1154.200000110.1
523R32.4Very low35.8Very low249 Ų249150.4 Ų150.494%0.9483%0.832SS**  trans-80.6156.4-175-76.7176.1168174.4-3.9113.2
524A31.2Very low35.8Very low86 Ų86148.2 Ų148.271%0.71183%0.829SS**  trans81.4115.6142.300000120.7
525H30.6Very low35.8Very low175 Ų175150.3 Ų150.381%0.8183%0.831SS**  148.1143.8121.6-93.1-73.8000114.9
526Q34.6Very low35.9Very low187 Ų187150.7 Ų150.787%0.87483%0.83SS**  trans-41.1149.1-179.8-69.8159-25.700117.2
527G30.7Very low36.4Very low76 Ų76149.9 Ų149.978%0.78482%0.824SS**  trans172.695.8161.600000112.5
528V37.6Very low36.3Very low147 Ų147152.6 Ų152.689%0.89183%0.831SS**  trans-60.8131.5167.8176.10000108.6
529R36.3Very low36.6Very low238 Ų238150.6 Ų150.690%0.89883%0.83SS**  trans-103.2116164.9-94.1-173.5178.1-172.9-0.7109.3
530D40.5Very low37.6Very low126 Ų126144 Ų14467%0.67482%0.821SS**  trans-77.8134.6169.7-165.9-20000109.3H532D530-H532 IonicContact OD1-CD2 3.73Å; D530-H532 PolarHBondContact OD1-N 3.13Å; D530-H532 VanDerWaalsContact OD1-N 3.13Å
531L43Very low38.5Very low160 Ų160143.4 Ų143.484%0.83882%0.819SS**SBendtrans-101.87.1-175-96154.1000112.6
532H38.3Very low39.6Very low172 Ų172145 Ų14580%0.79681%0.809SS**  trans-96.44.6-174.9-76.3-72.8000116.6D530D530-H532 IonicContact OD1-CD2 3.73Å; D530-H532 PolarHBondContact OD1-N 3.13Å; D530-H532 VanDerWaalsContact OD1-N 3.13Å
533E39Very low40.6Very low195 Ų195147.2 Ų147.291%0.91181%0.811SS**  trans-11072.6172-71.6-163.3166.100112.8
534S41.5Very low41.6Very low101 Ų101140 Ų14071%0.70679%0.791SS**  trans-134.3107.2156.381.20000111.4F536S534-F536 PolarHBondContact O-N 3.34Å
535S42.7Very low43.1Very low124 Ų124140.7 Ų140.787%0.86778%0.783SS**  trans-78109165.944.80000109.3
536F35Very low44.3Very low192 Ų192140.9 Ų140.984%0.84278%0.784SS**  trans-123.1117.3168-113.6-89.4000109.9S534S534-F536 PolarHBondContact O-N 3.34Å
537S40.2Very low45.7Very low103 Ų103137.9 Ų137.972%0.7277%0.772SS**  trans-99.3137.8170177.70000108.6
538L38.7Very low46.9Very low177 Ų177139.6 Ų139.693%0.92777%0.77SS**  trans-97.898.4176.2-75165.6000109.7
539S40.8Very low47.6Very low116 Ų116142.8 Ų142.881%0.81177%0.772SS**  trans-130.9112.8159.156.30000109.7
540G48.9Very low48Very low69 Ų69143 Ų14371%0.71177%0.773SS**SBendtrans172.7138.7177.900000111.1
541S56.5Low48.2Very low109 Ų109142.8 Ų142.876%0.76278%0.781SS**  trans-51.6137.4176.752.60000112.2
542Q61.9Low48.2Very low140 Ų140140.9 Ų140.965%0.65478%0.781SS**  trans-88.5151.8178.9-62.9-170.4400110.8D544 D545Q542-D544 PolarHBondContact O-N 3.49Å; Q542-D545 PolarHBondContact N-OD2 3.37Å; Q542-D545 WeakPolarHBondContact O-CB 3.47Å; Q542-D545 PolarHBondContact O-N 3.22Å; Q542-D545 VanDerWaalsContact O-N 3.14Å
543V51.1Low48.2Very low150 Ų150137 Ų13791%0.90978%0.779SS**THydrogen-bonded Turntrans-61.3-18.4-168.8167.60000113.1
544D53.8Low48.3Very low97 Ų97139.4 Ų139.452%0.51978%0.78SS.*THydrogen-bonded Turntrans-104.71-176.960-24.7000114.7Q542 H546 I547Q542-D544 PolarHBondContact O-N 3.49Å; D544-H546 PolarHBondContact O-N 3.02Å; D544-I547 HydrophobicContact CB-CD1 4.27Å; D544-I547 PolarHBondContact O-N 3.15Å; D544-I547 VanDerWaalsContact O-N 3.15Å
545D62.4Low48.2Very low101 Ų101142.2 Ų142.254%0.5479%0.785SS.*THydrogen-bonded Turntrans-62.6-8.4179.2-76.5-26.1000114Q542Q542-D545 PolarHBondContact N-OD2 3.37Å; Q542-D545 WeakPolarHBondContact O-CB 3.47Å; Q542-D545 PolarHBondContact O-N 3.22Å; Q542-D545 VanDerWaalsContact O-N 3.14Å
546H57.1Low48Very low179 Ų179144 Ų14483%0.82978%0.784SS**THydrogen-bonded Turntrans-116.99.6-179.3-64.5-19.8000114.5D544 P548D544-H546 PolarHBondContact O-N 3.02Å; H546-P548 WeakPolarHBondContact O-CD 3.41Å
547I62.9Low48.5Very low123 Ų123138.8 Ų138.863%0.63178%0.776SS**  trans-98.2114.8-178.7-53.9178.5000110.1D544 K549D544-I547 HydrophobicContact CB-CD1 4.27Å; D544-I547 PolarHBondContact O-N 3.15Å; D544-I547 VanDerWaalsContact O-N 3.15Å; I547-K549 PolarHBondContact O-N 2.95Å
548P56.2Low48.6Very low113 Ų113139.8 Ų139.873%0.73478%0.78SS**  trans-68.3127.4176.98.8-3.5000111.1H546 R550H546-P548 WeakPolarHBondContact O-CD 3.41Å; P548-R550 PolarHBondContact O-N 3.14Å
549K52.9Low48.8Very low213 Ų213137.9 Ų137.993%0.92678%0.778SS**  trans-62.2115.9178.8-68.4-178.7178.3178.60110.7I547I547-K549 PolarHBondContact O-N 2.95Å
550R43.6Very low48.6Very low243 Ų243136.3 Ų136.392%0.91778%0.781SS**PPolyproline II helixtrans-76.9136.9168.8-83.2-174.9175.3-179.8-0.7110.5P548P548-R550 PolarHBondContact O-N 3.14Å
551S45.9Very low47.9Very low122 Ų122137 Ų13785%0.85379%0.787SS**PPolyproline II helixtrans-63.2128.8170.933.10000111
552S41.8Very low47.1Very low120 Ų120144 Ų14484%0.83980%0.797SS**PPolyproline II helixtrans-76.5128.2178.6470000111.1
553A38.7Very low46.2Very low90 Ų90143.1 Ų143.174%0.74481%0.806SS**PPolyproline II helixtrans-88.6129.716900000109.8I555A553-I555 PolarHBondContact O-N 2.86Å
554R40.6Very low46Very low246 Ų246142.1 Ų142.193%0.92881%0.806SS**PPolyproline II helixtrans-67.6123.8171.1-104.9-179.3179.3-178.70.4109.5
555I39.4Very low45Very low160 Ų160141.2 Ų141.282%0.82182%0.819SS**  trans-98.4112.1168.4-59.7179.3000108.3A553A553-I555 PolarHBondContact O-N 2.86Å
556L40Very low43.9Very low162 Ų162143.9 Ų143.985%0.84883%0.832SS**  trans-88.4122.6165.5-94.7148.6000108.2
557A44.5Very low43Very low82 Ų82150.2 Ų150.268%0.67885%0.849SS**  trans67.5115167.400000118.3
558P43.2Very low42Very low124 Ų124151.6 Ų151.681%0.80586%0.86SS**  trans-78.9146.2164.231.3-30.2000111.5
559P43.3Very low41.2Very low136 Ų136153.6 Ų153.688%0.88387%0.866SS**  trans-87.2132.8-175.632.8-31.5000112.6
560G36.6Very low40.6Very low84 Ų84150.3 Ų150.387%0.86686%0.863SS**  trans129.798.7155.800000115.3
561G34.3Very low40.4Very low82 Ų82144.8 Ų144.885%0.84586%0.86SS**  trans150.872.9159.700000115.6
562R39.1Very low40.1Very low257 Ų257146.3 Ų146.397%0.9786%0.86SS**  trans-83.6128.9154.8-87.1-176.6171.8176.4-2.3107.9
563S43.1Very low39.9Very low121 Ų121148 Ų14885%0.84686%0.862SS**  trans-143.5125148.9620000109.5
564S45.9Very low40Very low129 Ų129152.1 Ų152.190%0.90287%0.87SS**  trans-81.9138.9173.345.60000110.4
565G34.3Very low40Very low78 Ų78144.9 Ų144.980%0.80487%0.866SS**  trans-170.2107167.500000110.9
566I37.7Very low40Very low157 Ų157143.7 Ų143.781%0.80587%0.87SS**  trans-85.2125.8167.9-59.3163.8000106.4
567W38.4Very low40Very low312 Ų312142 Ų142100%1.18287%0.871SS**  179.80127.3-93.1102.8000108.7

Retrieved 567 of 567 residues in 755.7 ms (Link to these results)

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