A0A077ZBS6_TRITR Loading...

N-acetylglucosamine-6-phosphate deacetylase

AlphaFold DB , UniProt , Accession A0A077ZBS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 381 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
1M85.5Confident97Very high165 Ų16545.6 Ų45.681%0.81322%0.215SC*.  0138.90178.3166.7174.700105.4E41M1-E41 HydrophobicContact CE-CB 4.02Å
2K95Very high96.9Very high116 Ų11643.7 Ų43.750%0.50421%0.207SC..  trans-73.1144.7178.1-71.6-163.2168-147.50110.3F4 D23 T25 A40 E41K2-F4 HydrophobicContact CB-CD2 4.35Å; K2-F4 HydrophobicContact CB-CE2 3.93Å; K2-F4 HydrophobicContact CD-CE2 3.95Å; K2-F4 HydrophobicContact CD-CZ 4.44Å; K2-D23 IonicContact NZ-OD2 2.67Å; K2-D23 PolarHBondContact NZ-OD2 2.99Å; K2-T25 VanDerWaalsContact CA-OG1 3.31Å; K2-T25 WeakPolarHBondContact CA-OG1 3.48Å; K2-T25 HydrophobicContact CG-CG2 4.49Å; K2-A40 HydrophobicContact CB-CB 4.12Å; K2-A40 WeakPolarHBondContact O-CA 3.23Å; K2-A40 WeakPolarHBondContact O-CB 3.27Å; K2-E41 PolarHBondContact O-N 2.69Å
3T98Very high96Very high25 Ų2546.1 Ų46.115%0.15322%0.222CC..EExtended strand (participates in β ladder)trans-123.3128.6176.6-55.60000108.8V24 T25 E41 I43T3-V24 HydrophobicContact CG2-CG2 4.04Å; T3-V24 PolarHBondContact O-N 3.15Å; T3-T25 PolarHBondContact N-OG1 2.53Å; T3-T25 PolarHBondContact O-N 3.17Å; T3-T25 PolarHBondContact O-OG1 3.17Å; T3-E41 WeakPolarHBondContact CA-O 3.5Å; T3-E41 HydrophobicContact CG2-CB 4.35Å; T3-E41 HydrophobicContact CG2-CG 4.38Å; T3-E41 PolarHBondContact OG1-OE2 2.86Å; T3-I43 HydrophobicContact CG2-CD1 3.96Å; T3-I43 HydrophobicContact CG2-CG1 4.09Å
4F98.4Very high95.4Very high15 Ų1549.4 Ų49.47%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-122149.6176.4-75.9-105.6000110.1K2 L22 D23 T33 P37 A40 E41 I42 I43K2-F4 HydrophobicContact CB-CD2 4.35Å; K2-F4 HydrophobicContact CB-CE2 3.93Å; K2-F4 HydrophobicContact CD-CE2 3.95Å; K2-F4 HydrophobicContact CD-CZ 4.44Å; F4-L22 CarbonylContact C-O 3.58Å; F4-L22 VanDerWaalsContact CA-O 3.23Å; F4-L22 WeakPolarHBondContact CA-O 3.37Å; F4-L22 VanDerWaalsContact CD1-C 3.47Å; F4-D23 HydrophobicContact CD1-CB 3.98Å; F4-D23 HydrophobicContact CE1-CB 3.51Å; F4-D23 HydrophobicContact CE2-CB 4.38Å; F4-D23 HydrophobicContact CZ-CB 3.74Å; F4-T33 HydrophobicContact CE1-CG2 4.17Å; F4-P37 HydrophobicContact CB-CG 3.99Å; F4-P37 HydrophobicContact CD1-CG 3.95Å; F4-P37 HydrophobicContact CD2-CB 3.88Å; F4-P37 HydrophobicContact CD2-CG 3.57Å; F4-P37 HydrophobicContact CE1-CB 4.38Å; F4-P37 HydrophobicContact CE1-CG 4.3Å; F4-P37 HydrophobicContact CE2-CB 3.71Å; F4-P37 HydrophobicContact CE2-CG 3.94Å; F4-P37 HydrophobicContact CG-CB 4.28Å; F4-P37 HydrophobicContact CG-CG 3.58Å; F4-P37 HydrophobicContact CZ-CB 3.99Å; F4-P37 HydrophobicContact CZ-CG 4.3Å; F4-A40 HydrophobicContact CD2-CB 3.69Å; F4-A40 HydrophobicContact CE2-CB 4.05Å; F4-E41 PolarHBondContact N-O 2.88Å; F4-I42 CarbonylContact O-C 3.54Å; F4-I42 VanDerWaalsContact O-CA 3.31Å; F4-I42 WeakPolarHBondContact O-CA 3.2Å; F4-I43 PolarHBondContact O-N 3.46Å
5I98.4Very high95.1Very high0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-104.6125.9168.2-175.1164.6000109.5F10 Y21 L22 V24 I43 Q45 I50 F359I5-F10 HydrophobicContact CG2-CE1 4.22Å; I5-Y21 CarbonylContact O-C 3.56Å; I5-Y21 VanDerWaalsContact O-CA 3.3Å; I5-Y21 WeakPolarHBondContact O-CA 3.44Å; I5-L22 HydrophobicContact CG2-CB 3.81Å; I5-L22 HydrophobicContact CG2-CD2 4.42Å; I5-L22 HydrophobicContact CG2-CG 4.46Å; I5-L22 PolarHBondContact N-O 3.27Å; I5-L22 PolarHBondContact O-N 3.37Å; I5-V24 HydrophobicContact CG2-CG1 4.04Å; I5-I43 WeakPolarHBondContact CA-O 3.49Å; I5-I43 HydrophobicContact CB-CB 4.43Å; I5-I43 HydrophobicContact CG1-CB 4.37Å; I5-I43 HydrophobicContact CG1-CG2 4.5Å; I5-Q45 HydrophobicContact CD1-CG 3.91Å; I5-Q45 HydrophobicContact CG1-CG 4.08Å; I5-I50 HydrophobicContact CD1-CD1 3.44Å; I5-I50 VanDerWaalsContact CD1-CD1 3.44Å; I5-I50 HydrophobicContact CD1-CG1 4.12Å; I5-I50 HydrophobicContact CG1-CD1 4.12Å; I5-I50 HydrophobicContact CG1-CG1 4.42Å; I5-F359 HydrophobicContact CD1-CD2 4.34Å; I5-F359 HydrophobicContact CD1-CE2 3.35Å; I5-F359 HydrophobicContact CD1-CZ 3.68Å
6Y98.8Very high95.2Very high51 Ų5147.9 Ų47.920%0.225%0.254CS..EExtended strand (participates in β ladder)trans-94.8134.5171.6176.2-101.1000109.9G20 Y21 I43 Q45 S46Y6-G20 WeakPolarHBondContact CA-O 3.41Å; Y6-G20 WeakPolarHBondContact CD2-O 3.19Å; Y6-Y21 AromaticContact CD2-CD1 3.85Å; Y6-Y21 HydrophobicContact CD2-CD1 3.85Å; Y6-Y21 HydrophobicContact CD2-CD2 4.29Å; Y6-Y21 AromaticContact CD2-CE1 3.46Å; Y6-Y21 HydrophobicContact CD2-CE1 3.46Å; Y6-Y21 VanDerWaalsContact CD2-CE1 3.46Å; Y6-Y21 AromaticContact CD2-CE2 3.91Å; Y6-Y21 HydrophobicContact CD2-CE2 3.91Å; Y6-Y21 HydrophobicContact CD2-CG 4.25Å; Y6-Y21 AromaticContact CD2-CZ 3.47Å; Y6-Y21 VanDerWaalsContact CD2-CZ 3.47Å; Y6-Y21 HydrophobicContact CE2-CE1 4.41Å; Y6-Y21 HydrophobicContact CE2-CE2 4.24Å; Y6-Y21 AromaticContact CE2-CZ 3.99Å; Y6-Y21 HydrophobicContact CG-CD1 4.29Å; Y6-Y21 AromaticContact CG-CE1 3.91Å; Y6-Y21 HydrophobicContact CG-CE1 3.91Å; Y6-I43 PolarHBondContact N-O 3.08Å; Y6-Q45 CarbonylContact O-C 3.49Å; Y6-Q45 VanDerWaalsContact O-CA 3.29Å; Y6-Q45 WeakPolarHBondContact O-CA 3.29Å; Y6-Q45 VanDerWaalsContact O-CB 3.29Å; Y6-Q45 WeakPolarHBondContact O-CB 3.38Å; Y6-Q45 PolarHBondContact O-N 2.61Å; Y6-S46 VanDerWaalsContact CE1-OG 3.26Å; Y6-S46 WeakPolarHBondContact CE1-OG 3.47Å
7A98.8Very high95.3Very high0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-155.3169.4174.500000110.8F10 A19 G20 Q45 I50A7-F10 HydrophobicContact CB-CE1 4.21Å; A7-F10 HydrophobicContact CB-CE2 3.95Å; A7-F10 HydrophobicContact CB-CZ 3.67Å; A7-F10 WeakPolarHBondContact O-CE2 3.46Å; A7-A19 VanDerWaalsContact O-CA 3.27Å; A7-A19 WeakPolarHBondContact O-CA 3.42Å; A7-G20 PolarHBondContact N-O 3.27Å; A7-G20 PolarHBondContact O-N 3.44Å; A7-Q45 HydrophobicContact CB-CB 4.4Å; A7-I50 HydrophobicContact CB-CD1 4.07Å; A7-I50 HydrophobicContact CB-CG1 3.49Å; A7-I50 VanDerWaalsContact CB-CG1 3.49Å
8D98.6Very high95.5Very high67 Ų6749.1 Ų49.136%0.35827%0.268SS..EExtended strand (participates in β ladder)trans-83.8-19.4-176.9-78.923.2000112.8G18 A19 G47 K48D8-G18 CarbonylContact O-C 3.46Å; D8-G18 WeakPolarHBondContact O-CA 3.4Å; D8-A19 WeakPolarHBondContact O-CA 3.24Å; D8-A19 PolarHBondContact O-N 3.45Å; D8-G47 VanDerWaalsContact CG-N 3.34Å; D8-G47 PolarHBondContact OD1-N 3.31Å; D8-G47 WeakPolarHBondContact OD2-CA 3.05Å; D8-K48 PolarHBondContact N-O 2.85Å
9K98.6Very high95.6Very high54 Ų5449.1 Ų49.124%0.23527%0.274CS..EExtended strand (participates in β ladder)trans-153.7144.5-179.7-167.9-178-69.9176.40111.3F11 V16 K17 W49 I50K9-F11 HydrophobicContact CD-CE1 4.27Å; K9-F11 HydrophobicContact CD-CE2 4.3Å; K9-F11 HydrophobicContact CD-CZ 3.89Å; K9-V16 HydrophobicContact CD-CG1 3.76Å; K9-V16 HydrophobicContact CG-CG1 3.54Å; K9-K17 CarbonylContact C-O 3.51Å; K9-K17 WeakPolarHBondContact CA-O 3.34Å; K9-K17 WeakPolarHBondContact CG-O 3.25Å; K9-W49 HydrophobicContact CB-CB 4.09Å; K9-W49 HydrophobicContact CB-CD2 4.26Å; K9-W49 HydrophobicContact CB-CG 3.65Å; K9-W49 HydrophobicContact CD-CD2 3.87Å; K9-W49 HydrophobicContact CD-CE3 4.25Å; K9-W49 HydrophobicContact CD-CG 4.12Å; K9-W49 HydrophobicContact CD-CZ2 4.42Å; K9-W49 HydrophobicContact CG-CG 4.41Å; K9-W49 VanDerWaalsContact NZ-CH2 3.31Å; K9-W49 CarbonylContact O-C 3.41Å; K9-W49 WeakPolarHBondContact O-CA 3.34Å; K9-I50 PolarHBondContact O-N 3.07Å
10F98.7Very high95.8Very high0 Ų046.7 Ų46.70%026%0.262CS..EExtended strand (participates in β ladder)trans-129.9126.7176.2-62.2-98.4000109.9I5 A7 L12 V16 K17 G20 L22 Y32 I50I5-F10 HydrophobicContact CG2-CE1 4.22Å; A7-F10 HydrophobicContact CB-CE1 4.21Å; A7-F10 HydrophobicContact CB-CE2 3.95Å; A7-F10 HydrophobicContact CB-CZ 3.67Å; A7-F10 WeakPolarHBondContact O-CE2 3.46Å; F10-L12 HydrophobicContact CB-CD2 3.91Å; F10-L12 HydrophobicContact CB-CG 4.1Å; F10-L12 PolarHBondContact O-N 3.14Å; F10-V16 WeakPolarHBondContact O-CA 3.33Å; F10-K17 HydrophobicContact CB-CB 4.41Å; F10-K17 PolarHBondContact N-O 3.07Å; F10-K17 PolarHBondContact O-N 3.17Å; F10-G20 WeakPolarHBondContact CE2-O 3.38Å; F10-G20 WeakPolarHBondContact CZ-O 3.32Å; F10-L22 HydrophobicContact CD1-CB 3.97Å; F10-L22 HydrophobicContact CD1-CD2 4.08Å; F10-L22 HydrophobicContact CE1-CB 3.52Å; F10-L22 HydrophobicContact CE1-CD2 4.25Å; F10-L22 HydrophobicContact CZ-CB 4.27Å; F10-Y32 AromaticContact CD2-CD2 3.94Å; F10-Y32 HydrophobicContact CD2-CD2 3.94Å; F10-Y32 AromaticContact CD2-CE2 3.5Å; F10-Y32 HydrophobicContact CD2-CE2 3.5Å; F10-Y32 VanDerWaalsContact CD2-CE2 3.5Å; F10-Y32 HydrophobicContact CE2-CD2 4.23Å; F10-Y32 AromaticContact CE2-CE2 3.76Å; F10-Y32 HydrophobicContact CE2-CE2 3.76Å; F10-Y32 HydrophobicContact CG-CD2 4.16Å; F10-Y32 HydrophobicContact CG-CE2 4.15Å; F10-I50 CarbonylContact C-O 3.56Å; F10-I50 WeakPolarHBondContact CA-O 3.49Å; F10-I50 HydrophobicContact CD1-CB 3.64Å; F10-I50 HydrophobicContact CD1-CG1 3.92Å; F10-I50 HydrophobicContact CD1-CG2 4.11Å; F10-I50 HydrophobicContact CE1-CB 3.91Å; F10-I50 HydrophobicContact CE1-CG1 3.66Å; F10-I50 HydrophobicContact CE1-CG2 4.39Å; F10-I50 HydrophobicContact CG-CB 4.42Å; F10-I50 HydrophobicContact CZ-CG1 4.35Å
11F98.2Very high95.9Very high9 Ų946 Ų464%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-89.690.9171.6-58.8-88.2000108.5K9 V16 W49 I50 A51 P52 P327 E328 V331K9-F11 HydrophobicContact CD-CE1 4.27Å; K9-F11 HydrophobicContact CD-CE2 4.3Å; K9-F11 HydrophobicContact CD-CZ 3.89Å; F11-V16 HydrophobicContact CD1-CG2 3.62Å; F11-V16 HydrophobicContact CE1-CG2 3.99Å; F11-W49 HydrophobicContact CE2-CB 3.82Å; F11-W49 HydrophobicContact CE2-CD2 4.31Å; F11-W49 AromaticContact CE2-CE3 3.81Å; F11-W49 HydrophobicContact CE2-CE3 3.81Å; F11-W49 HydrophobicContact CE2-CG 4.37Å; F11-W49 HydrophobicContact CZ-CD2 4.33Å; F11-W49 AromaticContact CZ-CE3 3.59Å; F11-W49 HydrophobicContact CZ-CE3 3.59Å; F11-W49 HydrophobicContact CZ-CZ3 4.12Å; F11-I50 WeakPolarHBondContact CD2-O 3.23Å; F11-I50 PolarHBondContact N-O 3.23Å; F11-A51 HydrophobicContact CB-CB 4.34Å; F11-A51 HydrophobicContact CD2-CB 3.72Å; F11-A51 HydrophobicContact CE2-CB 4.43Å; F11-A51 HydrophobicContact CG-CB 4.34Å; F11-P52 WeakPolarHBondContact O-CD 3.34Å; F11-P327 HydrophobicContact CE1-CB 4.24Å; F11-P327 HydrophobicContact CZ-CB 4.11Å; F11-E328 HydrophobicContact CD1-CB 4.18Å; F11-E328 HydrophobicContact CD1-CG 4.48Å; F11-E328 HydrophobicContact CE1-CB 4.1Å; F11-V331 HydrophobicContact CB-CG1 4.1Å; F11-V331 HydrophobicContact CD1-CB 4.47Å; F11-V331 HydrophobicContact CD1-CG2 4.43Å; F11-V331 HydrophobicContact CD2-CG2 4.35Å; F11-V331 HydrophobicContact CE1-CG2 4.45Å; F11-V331 HydrophobicContact CE2-CG2 4.35Å; F11-V331 HydrophobicContact CG-CG1 4.26Å; F11-V331 HydrophobicContact CG-CG2 4.39Å; F11-V331 HydrophobicContact CZ-CG2 4.4Å
12L95.4Very high96.5Very high22 Ų2238.2 Ų38.212%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-94.9159.6178.8-52.1-174.8000110.3F10 S14 G15 K17 Y32 I351F10-L12 HydrophobicContact CB-CD2 3.91Å; F10-L12 HydrophobicContact CB-CG 4.1Å; F10-L12 PolarHBondContact O-N 3.14Å; L12-S14 PolarHBondContact O-N 2.85Å; L12-S14 VanDerWaalsContact O-N 3.15Å; L12-G15 WeakPolarHBondContact O-CA 3.38Å; L12-G15 PolarHBondContact O-N 2.97Å; L12-K17 HydrophobicContact CD1-CB 4.49Å; L12-K17 HydrophobicContact CD1-CG 3.53Å; L12-K17 HydrophobicContact CG-CG 4.15Å; L12-Y32 HydrophobicContact CD1-CG 4.31Å; L12-I351 HydrophobicContact CD2-CB 3.95Å; L12-I351 HydrophobicContact CD2-CD1 4.34Å; L12-I351 HydrophobicContact CD2-CG2 3.6Å
13N86.2Confident96.7Very high75 Ų7533.5 Ų33.540%0.40120%0.197SC..THydrogen-bonded Turntrans-57.3-31.7174.6-169.838.4000112.9G15 M350N13-G15 PolarHBondContact O-N 3.04Å; N13-M350 HydrophobicContact CB-CB 4.28Å
14S86.4Confident96.7Very high93 Ų9332.5 Ų32.565%0.6519%0.191SC*.THydrogen-bonded Turntrans-76.93176.769.20000114.7L12L12-S14 PolarHBondContact O-N 2.85Å; L12-S14 VanDerWaalsContact O-N 3.15Å
15G91.3Very high96.7Very high19 Ų1932.9 Ų32.920%0.19620%0.195CC..EExtended strand (participates in β ladder)trans103.1173.3-171.600000113.5L12 N13L12-G15 WeakPolarHBondContact O-CA 3.38Å; L12-G15 PolarHBondContact O-N 2.97Å; N13-G15 PolarHBondContact O-N 3.04Å
16V96.7Very high96.6Very high55 Ų5540.1 Ų40.133%0.33323%0.234SC..EExtended strand (participates in β ladder)trans-68132.9-173.9174.40000113.1K9 F10 F11 E328K9-V16 HydrophobicContact CD-CG1 3.76Å; K9-V16 HydrophobicContact CG-CG1 3.54Å; F10-V16 WeakPolarHBondContact O-CA 3.33Å; F11-V16 HydrophobicContact CD1-CG2 3.62Å; F11-V16 HydrophobicContact CE1-CG2 3.99Å; V16-E328 HydrophobicContact CG2-CB 3.95Å; V16-E328 VanDerWaalsContact CG2-CD 3.41Å; V16-E328 HydrophobicContact CG2-CG 3.78Å
17K97.7Very high96.5Very high78 Ų7838.2 Ų38.234%0.33923%0.229SC..EExtended strand (participates in β ladder)trans-109.7148.4167.6-54.2-61.2-179.1-170.40110.3K9 F10 L12 Y32K9-K17 CarbonylContact C-O 3.51Å; K9-K17 WeakPolarHBondContact CA-O 3.34Å; K9-K17 WeakPolarHBondContact CG-O 3.25Å; F10-K17 HydrophobicContact CB-CB 4.41Å; F10-K17 PolarHBondContact N-O 3.07Å; F10-K17 PolarHBondContact O-N 3.17Å; L12-K17 HydrophobicContact CD1-CB 4.49Å; L12-K17 HydrophobicContact CD1-CG 3.53Å; L12-K17 HydrophobicContact CG-CG 4.15Å; K17-Y32 HydrophobicContact CB-CD1 4.44Å; K17-Y32 HydrophobicContact CB-CD2 4.45Å; K17-Y32 HydrophobicContact CB-CE1 3.95Å; K17-Y32 HydrophobicContact CB-CE2 3.95Å; K17-Y32 HydrophobicContact CD-CE1 4.49Å; K17-Y32 HydrophobicContact CG-CD1 4.2Å; K17-Y32 HydrophobicContact CG-CE1 4.09Å
18G97.8Very high96.5Very high40 Ų4041.3 Ų41.341%0.41225%0.245SC..EExtended strand (participates in β ladder)trans-81.1-159.5172.800000112.4D8 G20 Y32D8-G18 CarbonylContact O-C 3.46Å; D8-G18 WeakPolarHBondContact O-CA 3.4Å; G18-G20 PolarHBondContact O-N 3.07Å; G18-Y32 PolarHBondContact O-OH 2.96Å
19A98.5Very high96.5Very high48 Ų4838.3 Ų38.340%0.39723%0.229SC..EExtended strand (participates in β ladder)trans-55.9136.6-173.300000112.9A7 D8 Y32A7-A19 VanDerWaalsContact O-CA 3.27Å; A7-A19 WeakPolarHBondContact O-CA 3.42Å; D8-A19 WeakPolarHBondContact O-CA 3.24Å; D8-A19 PolarHBondContact O-N 3.45Å; A19-Y32 PolarHBondContact O-OH 3.31Å; A19-Y32 VanDerWaalsContact O-OH 3.05Å
20G98.5Very high96.4Very high2 Ų236.6 Ų36.62%0.02123%0.226CC..EExtended strand (participates in β ladder)trans173.4-163.8-175.700000112.4Y6 A7 F10 G18 T33Y6-G20 WeakPolarHBondContact CA-O 3.41Å; Y6-G20 WeakPolarHBondContact CD2-O 3.19Å; A7-G20 PolarHBondContact N-O 3.27Å; A7-G20 PolarHBondContact O-N 3.44Å; F10-G20 WeakPolarHBondContact CE2-O 3.38Å; F10-G20 WeakPolarHBondContact CZ-O 3.32Å; G18-G20 PolarHBondContact O-N 3.07Å; G20-T33 CarbonylContact C-O 3.18Å; G20-T33 WeakPolarHBondContact CA-O 3.33Å
21Y98.6Very high96.3Very high31 Ų3138.7 Ų38.712%0.12224%0.244CC..EExtended strand (participates in β ladder)trans-127.4131-174.1-54.1-96.7000109.1I5 Y6 Y32 T33 E35 K36 P37 I42I5-Y21 CarbonylContact O-C 3.56Å; I5-Y21 VanDerWaalsContact O-CA 3.3Å; I5-Y21 WeakPolarHBondContact O-CA 3.44Å; Y6-Y21 AromaticContact CD2-CD1 3.85Å; Y6-Y21 HydrophobicContact CD2-CD1 3.85Å; Y6-Y21 HydrophobicContact CD2-CD2 4.29Å; Y6-Y21 AromaticContact CD2-CE1 3.46Å; Y6-Y21 HydrophobicContact CD2-CE1 3.46Å; Y6-Y21 VanDerWaalsContact CD2-CE1 3.46Å; Y6-Y21 AromaticContact CD2-CE2 3.91Å; Y6-Y21 HydrophobicContact CD2-CE2 3.91Å; Y6-Y21 HydrophobicContact CD2-CG 4.25Å; Y6-Y21 AromaticContact CD2-CZ 3.47Å; Y6-Y21 VanDerWaalsContact CD2-CZ 3.47Å; Y6-Y21 HydrophobicContact CE2-CE1 4.41Å; Y6-Y21 HydrophobicContact CE2-CE2 4.24Å; Y6-Y21 AromaticContact CE2-CZ 3.99Å; Y6-Y21 HydrophobicContact CG-CD1 4.29Å; Y6-Y21 AromaticContact CG-CE1 3.91Å; Y6-Y21 HydrophobicContact CG-CE1 3.91Å; Y21-Y32 CarbonylContact O-C 3.56Å; Y21-Y32 WeakPolarHBondContact O-CA 3.35Å; Y21-T33 PolarHBondContact N-O 3.3Å; Y21-T33 PolarHBondContact O-N 2.69Å; Y21-E35 WeakPolarHBondContact CD2-O 3.35Å; Y21-K36 HydrophobicContact CE1-CB 4.35Å; Y21-K36 HydrophobicContact CE1-CG 3.98Å; Y21-K36 VanDerWaalsContact CE2-CA 3.44Å; Y21-K36 HydrophobicContact CE2-CB 3.88Å; Y21-K36 HydrophobicContact CE2-CG 4.41Å; Y21-K36 WeakPolarHBondContact OH-CB 3.49Å; Y21-P37 HydrophobicContact CD1-CG 4.34Å; Y21-P37 HydrophobicContact CG-CG 4.45Å; Y21-I42 HydrophobicContact CD1-CD1 4.4Å; Y21-I42 HydrophobicContact CD1-CG2 4.39Å; Y21-I42 HydrophobicContact CE1-CD1 3.99Å; Y21-I42 HydrophobicContact CE1-CG2 4.24Å
22L98.5Very high96.2Very high3 Ų340.6 Ų40.62%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-111.7127.1174.5178.167.2000109.4F4 I5 F10 F29 G30 I351F4-L22 CarbonylContact C-O 3.58Å; F4-L22 VanDerWaalsContact CA-O 3.23Å; F4-L22 WeakPolarHBondContact CA-O 3.37Å; F4-L22 VanDerWaalsContact CD1-C 3.47Å; I5-L22 HydrophobicContact CG2-CB 3.81Å; I5-L22 HydrophobicContact CG2-CD2 4.42Å; I5-L22 HydrophobicContact CG2-CG 4.46Å; I5-L22 PolarHBondContact N-O 3.27Å; I5-L22 PolarHBondContact O-N 3.37Å; F10-L22 HydrophobicContact CD1-CB 3.97Å; F10-L22 HydrophobicContact CD1-CD2 4.08Å; F10-L22 HydrophobicContact CE1-CB 3.52Å; F10-L22 HydrophobicContact CE1-CD2 4.25Å; F10-L22 HydrophobicContact CZ-CB 4.27Å; L22-F29 HydrophobicContact CD2-CD1 3.82Å; L22-F29 HydrophobicContact CD2-CE1 3.92Å; L22-F29 HydrophobicContact CG-CD1 4.32Å; L22-G30 WeakPolarHBondContact CD1-O 3.15Å; L22-I351 HydrophobicContact CD1-CG2 4.27Å; L22-I351 HydrophobicContact CD2-CD1 4.37Å; L22-I351 HydrophobicContact CD2-CG2 3.69Å
23D98.4Very high96.4Very high16 Ų1641.6 Ų41.69%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-68.7128.9175.4-165.6-19.9000109.2K2 F4 T25 F29 G30 A31K2-D23 IonicContact NZ-OD2 2.67Å; K2-D23 PolarHBondContact NZ-OD2 2.99Å; F4-D23 HydrophobicContact CD1-CB 3.98Å; F4-D23 HydrophobicContact CE1-CB 3.51Å; F4-D23 HydrophobicContact CE2-CB 4.38Å; F4-D23 HydrophobicContact CZ-CB 3.74Å; D23-T25 WeakPolarHBondContact OD1-CB 3.36Å; D23-T25 PolarHBondContact OD1-N 3Å; D23-T25 PolarHBondContact OD1-OG1 3.38Å; D23-F29 CarbonylContact O-C 3.55Å; D23-F29 WeakPolarHBondContact O-CA 3.19Å; D23-G30 PolarHBondContact O-N 2.7Å; D23-A31 PolarHBondContact N-O 3.33Å
24V98.1Very high96.9Very high4 Ų445.9 Ų45.92%0.02427%0.273CS..  trans-131.226.6177.5-66.30000110.8T3 I5 G27 I28 F29 A357 F359T3-V24 HydrophobicContact CG2-CG2 4.04Å; T3-V24 PolarHBondContact O-N 3.15Å; I5-V24 HydrophobicContact CG2-CG1 4.04Å; V24-G27 PolarHBondContact O-N 3.39Å; V24-I28 CarbonylContact C-O 3.58Å; V24-I28 WeakPolarHBondContact CA-O 3.47Å; V24-F29 HydrophobicContact CG1-CD1 3.95Å; V24-F29 HydrophobicContact CG1-CE1 4.1Å; V24-A357 HydrophobicContact CB-CB 4.21Å; V24-A357 HydrophobicContact CG1-CB 4.22Å; V24-F359 HydrophobicContact CG1-CE1 4.06Å
25T98Very high97.4Very high23 Ų2348.9 Ų48.914%0.14128%0.277CS..G310 helixtrans-62.1137.4-174.9-58.70000111.6K2 T3 D23 G27 I28K2-T25 VanDerWaalsContact CA-OG1 3.31Å; K2-T25 WeakPolarHBondContact CA-OG1 3.48Å; K2-T25 HydrophobicContact CG-CG2 4.49Å; T3-T25 PolarHBondContact N-OG1 2.53Å; T3-T25 PolarHBondContact O-N 3.17Å; T3-T25 PolarHBondContact O-OG1 3.17Å; D23-T25 WeakPolarHBondContact OD1-CB 3.36Å; D23-T25 PolarHBondContact OD1-N 3Å; D23-T25 PolarHBondContact OD1-OG1 3.38Å; T25-G27 PolarHBondContact O-N 2.87Å; T25-G27 VanDerWaalsContact O-N 3.13Å; T25-I28 PolarHBondContact N-O 2.77Å; T25-I28 PolarHBondContact O-N 3.09Å; T25-I28 VanDerWaalsContact O-N 3.12Å
26D97Very high97.7Very high153 Ų15354.8 Ų54.882%0.81830%0.298SS*.G310 helixtrans54.130.3177.8-57.3-38.3000113.7I28D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.02Å
27G97.3Very high97.6Very high11 Ų1153.3 Ų53.311%0.11329%0.289CS..G310 helixtrans74.815.117800000115.3V24 T25 A357 D374V24-G27 PolarHBondContact O-N 3.39Å; T25-G27 PolarHBondContact O-N 2.87Å; T25-G27 VanDerWaalsContact O-N 3.13Å; G27-A357 WeakPolarHBondContact O-CB 3.38Å; G27-A357 PolarHBondContact O-N 3.04Å; G27-D374 WeakPolarHBondContact CA-O 3.26Å
28I98.5Very high97.5Very high65 Ų6558.8 Ų58.833%0.33332%0.316SS..BIsolated β-bridgetrans-121137.6-179.6-59.8-61.3000109.5V24 T25 D26 G30 R355V24-I28 CarbonylContact C-O 3.58Å; V24-I28 WeakPolarHBondContact CA-O 3.47Å; T25-I28 PolarHBondContact N-O 2.77Å; T25-I28 PolarHBondContact O-N 3.09Å; T25-I28 VanDerWaalsContact O-N 3.12Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.02Å; I28-G30 PolarHBondContact O-N 2.89Å; I28-R355 CarbonylContact C-O 3.38Å; I28-R355 WeakPolarHBondContact CA-O 3.24Å
29F98Very high97.3Very high3 Ų360.5 Ų60.51%0.01333%0.334CS..  trans-65.7132.8171.1-69.5-55.5000110.8L22 D23 V24 I351 A352 E353 G354 R355 D356 A357 F359L22-F29 HydrophobicContact CD2-CD1 3.82Å; L22-F29 HydrophobicContact CD2-CE1 3.92Å; L22-F29 HydrophobicContact CG-CD1 4.32Å; D23-F29 CarbonylContact O-C 3.55Å; D23-F29 WeakPolarHBondContact O-CA 3.19Å; V24-F29 HydrophobicContact CG1-CD1 3.95Å; V24-F29 HydrophobicContact CG1-CE1 4.1Å; F29-I351 HydrophobicContact CD1-CG2 3.9Å; F29-I351 HydrophobicContact CD2-CG2 4.11Å; F29-I351 HydrophobicContact CE1-CG1 4.23Å; F29-I351 HydrophobicContact CE1-CG2 4.03Å; F29-I351 HydrophobicContact CE2-CB 4.26Å; F29-I351 HydrophobicContact CE2-CG1 3.99Å; F29-I351 HydrophobicContact CE2-CG2 4.2Å; F29-I351 HydrophobicContact CG-CG2 3.96Å; F29-I351 HydrophobicContact CZ-CB 4.37Å; F29-I351 HydrophobicContact CZ-CD1 4.45Å; F29-I351 HydrophobicContact CZ-CG1 3.75Å; F29-I351 HydrophobicContact CZ-CG2 4.19Å; F29-A352 WeakPolarHBondContact CB-O 3.45Å; F29-E353 CarbonylContact O-C 3.53Å; F29-E353 WeakPolarHBondContact O-CA 3.46Å; F29-G354 PolarHBondContact O-N 2.78Å; F29-R355 HydrophobicContact CD2-CB 4.22Å; F29-R355 PolarHBondContact N-O 3.47Å; F29-D356 VanDerWaalsContact CD2-O 3.27Å; F29-D356 WeakPolarHBondContact CD2-O 3.26Å; F29-D356 WeakPolarHBondContact CE2-O 3.32Å; F29-A357 HydrophobicContact CD1-CB 3.93Å; F29-A357 HydrophobicContact CE1-CB 3.88Å; F29-A357 HydrophobicContact CG-CB 4.25Å; F29-A357 VanDerWaalsContact CZ-CA 3.47Å; F29-A357 HydrophobicContact CZ-CB 4.18Å; F29-F359 HydrophobicContact CE1-CB 4.33Å; F29-F359 AromaticContact CE1-CD1 3.65Å; F29-F359 HydrophobicContact CE1-CD1 3.65Å; F29-F359 HydrophobicContact CE1-CE1 4.39Å; F29-F359 HydrophobicContact CE1-CG 4.3Å; F29-F359 HydrophobicContact CZ-CB 3.92Å; F29-F359 AromaticContact CZ-CD1 3.8Å; F29-F359 HydrophobicContact CZ-CD1 3.8Å; F29-F359 HydrophobicContact CZ-CG 4.29Å
30G96.8Very high97.2Very high18 Ų1859.1 Ų59.119%0.18632%0.322CS..  trans-116-153.5164.500000111.4L22 D23 I28L22-G30 WeakPolarHBondContact CD1-O 3.15Å; D23-G30 PolarHBondContact O-N 2.7Å; I28-G30 PolarHBondContact O-N 2.89Å
31A95.8Very high97.1Very high44 Ų4464 Ų6436%0.36435%0.345SS..  trans-71.9145.1-171.800000113.4D23 E353D23-A31 PolarHBondContact N-O 3.33Å; A31-E353 WeakPolarHBondContact CA-OE1 3.47Å; A31-E353 WeakPolarHBondContact CB-OE1 3.29Å
32Y97.7Very high97.1Very high49 Ų4965 Ų6519%0.19235%0.351CS..EExtended strand (participates in β ladder)trans-81.3135.9163.7168.4-89.1000110.4F10 L12 K17 G18 A19 Y21 K34F10-Y32 AromaticContact CD2-CD2 3.94Å; F10-Y32 HydrophobicContact CD2-CD2 3.94Å; F10-Y32 AromaticContact CD2-CE2 3.5Å; F10-Y32 HydrophobicContact CD2-CE2 3.5Å; F10-Y32 VanDerWaalsContact CD2-CE2 3.5Å; F10-Y32 HydrophobicContact CE2-CD2 4.23Å; F10-Y32 AromaticContact CE2-CE2 3.76Å; F10-Y32 HydrophobicContact CE2-CE2 3.76Å; F10-Y32 HydrophobicContact CG-CD2 4.16Å; F10-Y32 HydrophobicContact CG-CE2 4.15Å; L12-Y32 HydrophobicContact CD1-CG 4.31Å; K17-Y32 HydrophobicContact CB-CD1 4.44Å; K17-Y32 HydrophobicContact CB-CD2 4.45Å; K17-Y32 HydrophobicContact CB-CE1 3.95Å; K17-Y32 HydrophobicContact CB-CE2 3.95Å; K17-Y32 HydrophobicContact CD-CE1 4.49Å; K17-Y32 HydrophobicContact CG-CD1 4.2Å; K17-Y32 HydrophobicContact CG-CE1 4.09Å; G18-Y32 PolarHBondContact O-OH 2.96Å; A19-Y32 PolarHBondContact O-OH 3.31Å; A19-Y32 VanDerWaalsContact O-OH 3.05Å; Y21-Y32 CarbonylContact O-C 3.56Å; Y21-Y32 WeakPolarHBondContact O-CA 3.35Å; Y32-K34 HydrophobicContact CE1-CG 4.13Å
33T97.7Very high97Very high44 Ų4466.7 Ų66.727%0.2736%0.36SS..EExtended strand (participates in β ladder)trans-137.6150.4175.1-179.30000111.7F4 G20 Y21 E35F4-T33 HydrophobicContact CE1-CG2 4.17Å; G20-T33 CarbonylContact C-O 3.18Å; G20-T33 WeakPolarHBondContact CA-O 3.33Å; Y21-T33 PolarHBondContact N-O 3.3Å; Y21-T33 PolarHBondContact O-N 2.69Å; T33-E35 VanDerWaalsContact CG2-O 3.31Å; T33-E35 WeakPolarHBondContact CG2-O 3.24Å; T33-E35 PolarHBondContact OG1-N 3.13Å; T33-E35 VanDerWaalsContact OG1-N 3.1Å
34K97.7Very high97Very high164 Ų16470.9 Ų70.971%0.71338%0.383SS*.SBendtrans-86-20.5170.7-68-176.2177.3-177.90112.6Y32Y32-K34 HydrophobicContact CE1-CG 4.13Å
35E97.1Very high97Very high157 Ų15771.9 Ų71.973%0.73439%0.387SS*.SBendtrans-85.9133.4-176.5-63.9-177.5175.200109.6Y21 T33 P37Y21-E35 WeakPolarHBondContact CD2-O 3.35Å; T33-E35 VanDerWaalsContact CG2-O 3.31Å; T33-E35 WeakPolarHBondContact CG2-O 3.24Å; T33-E35 PolarHBondContact OG1-N 3.13Å; T33-E35 VanDerWaalsContact OG1-N 3.1Å; E35-P37 WeakPolarHBondContact O-CD 3.42Å
36K96.6Very high97Very high143 Ų14373.8 Ų73.862%0.62240%0.401SS*.PPolyproline II helixtrans-63120.3178.6-175.1172.9-177.1172.10109.4Y21 E38 I42Y21-K36 HydrophobicContact CE1-CB 4.35Å; Y21-K36 HydrophobicContact CE1-CG 3.98Å; Y21-K36 VanDerWaalsContact CE2-CA 3.44Å; Y21-K36 HydrophobicContact CE2-CB 3.88Å; Y21-K36 HydrophobicContact CE2-CG 4.41Å; Y21-K36 WeakPolarHBondContact OH-CB 3.49Å; K36-E38 PolarHBondContact O-N 3.32Å; K36-I42 HydrophobicContact CD-CD1 4.23Å; K36-I42 HydrophobicContact CG-CD1 3.87Å
37P95.9Very high97.1Very high23 Ų2367.9 Ų67.915%0.14938%0.376CS..PPolyproline II helixtrans-67.4131.2-178.626.4-33.5000110.9F4 Y21 E35 A40 I42F4-P37 HydrophobicContact CB-CG 3.99Å; F4-P37 HydrophobicContact CD1-CG 3.95Å; F4-P37 HydrophobicContact CD2-CB 3.88Å; F4-P37 HydrophobicContact CD2-CG 3.57Å; F4-P37 HydrophobicContact CE1-CB 4.38Å; F4-P37 HydrophobicContact CE1-CG 4.3Å; F4-P37 HydrophobicContact CE2-CB 3.71Å; F4-P37 HydrophobicContact CE2-CG 3.94Å; F4-P37 HydrophobicContact CG-CB 4.28Å; F4-P37 HydrophobicContact CG-CG 3.58Å; F4-P37 HydrophobicContact CZ-CB 3.99Å; F4-P37 HydrophobicContact CZ-CG 4.3Å; Y21-P37 HydrophobicContact CD1-CG 4.34Å; Y21-P37 HydrophobicContact CG-CG 4.45Å; E35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-A40 HydrophobicContact CB-CB 3.93Å; P37-A40 HydrophobicContact CG-CB 4.02Å; P37-I42 HydrophobicContact CG-CD1 4.46Å; P37-I42 HydrophobicContact CG-CG1 4.49Å
38E94.3Very high97.1Very high193 Ų19369.6 Ų69.690%0.90238%0.38SS*.THydrogen-bonded Turntrans-78.6136.9177-65.4-172.9172.700111.3K36 A40K36-E38 PolarHBondContact O-N 3.32Å; E38-A40 PolarHBondContact O-N 3.38Å; E38-A40 VanDerWaalsContact O-N 3.15Å
39G94.1Very high97.2Very high77 Ų7767.9 Ų67.979%0.79437%0.37SS*.THydrogen-bonded Turntrans67.610.2175.500000115.5
40A96.2Very high97.2Very high19 Ų1967.8 Ų67.816%0.15737%0.369CS..  trans-94.1153.4175.400000111.9K2 F4 P37 E38K2-A40 HydrophobicContact CB-CB 4.12Å; K2-A40 WeakPolarHBondContact O-CA 3.23Å; K2-A40 WeakPolarHBondContact O-CB 3.27Å; F4-A40 HydrophobicContact CD2-CB 3.69Å; F4-A40 HydrophobicContact CE2-CB 4.05Å; P37-A40 HydrophobicContact CB-CB 3.93Å; P37-A40 HydrophobicContact CG-CB 4.02Å; E38-A40 PolarHBondContact O-N 3.38Å; E38-A40 VanDerWaalsContact O-N 3.15Å
41E97.4Very high97.3Very high105 Ų10566.9 Ų66.949%0.49136%0.361SS..EExtended strand (participates in β ladder)trans-72.2138.2163.6-176.7174.9-167.400108.8M1 K2 T3 F4M1-E41 HydrophobicContact CE-CB 4.02Å; K2-E41 PolarHBondContact O-N 2.69Å; T3-E41 WeakPolarHBondContact CA-O 3.5Å; T3-E41 HydrophobicContact CG2-CB 4.35Å; T3-E41 HydrophobicContact CG2-CG 4.38Å; T3-E41 PolarHBondContact OG1-OE2 2.86Å; F4-E41 PolarHBondContact N-O 2.88Å
42I97.8Very high97.4Very high51 Ų5165 Ų6526%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-123.7116.2179.8-62.3170.3000108.7F4 Y21 K36 P37 D44F4-I42 CarbonylContact O-C 3.54Å; F4-I42 VanDerWaalsContact O-CA 3.31Å; F4-I42 WeakPolarHBondContact O-CA 3.2Å; Y21-I42 HydrophobicContact CD1-CD1 4.4Å; Y21-I42 HydrophobicContact CD1-CG2 4.39Å; Y21-I42 HydrophobicContact CE1-CD1 3.99Å; Y21-I42 HydrophobicContact CE1-CG2 4.24Å; K36-I42 HydrophobicContact CD-CD1 4.23Å; K36-I42 HydrophobicContact CG-CD1 3.87Å; P37-I42 HydrophobicContact CG-CD1 4.46Å; P37-I42 HydrophobicContact CG-CG1 4.49Å; I42-D44 PolarHBondContact O-N 3.49Å
43I97.2Very high97.5Very high39 Ų3962.8 Ų62.820%0.234%0.336CS..EExtended strand (participates in β ladder)trans-79.7108.9165.8-54.1175000106.4T3 F4 I5 Y6 Q45 Y372T3-I43 HydrophobicContact CG2-CD1 3.96Å; T3-I43 HydrophobicContact CG2-CG1 4.09Å; F4-I43 PolarHBondContact O-N 3.46Å; I5-I43 WeakPolarHBondContact CA-O 3.49Å; I5-I43 HydrophobicContact CB-CB 4.43Å; I5-I43 HydrophobicContact CG1-CB 4.37Å; I5-I43 HydrophobicContact CG1-CG2 4.5Å; Y6-I43 PolarHBondContact N-O 3.08Å; I43-Q45 HydrophobicContact CG2-CG 4.35Å; I43-Q45 PolarHBondContact O-N 3.37Å; I43-Y372 HydrophobicContact CD1-CE1 4.46Å
44D97.8Very high97.6Very high104 Ų10460.7 Ų60.756%0.55632%0.323SS*.EExtended strand (participates in β ladder)trans-87.8105.1-175.7-171.2-4.7000111I42 S46I42-D44 PolarHBondContact O-N 3.49Å; D44-S46 VanDerWaalsContact OD1-CB 3.25Å; D44-S46 WeakPolarHBondContact OD1-CB 3.32Å; D44-S46 PolarHBondContact OD1-N 3.33Å; D44-S46 PolarHBondContact OD1-OG 3.39Å
45Q98.3Very high97.6Very high25 Ų2552.9 Ų52.912%0.11729%0.29CS..EExtended strand (participates in β ladder)trans-110.840.9171.8-61.3-69.1-6.500110.6I5 Y6 A7 I43 G47 K48 V361 Y372I5-Q45 HydrophobicContact CD1-CG 3.91Å; I5-Q45 HydrophobicContact CG1-CG 4.08Å; Y6-Q45 CarbonylContact O-C 3.49Å; Y6-Q45 VanDerWaalsContact O-CA 3.29Å; Y6-Q45 WeakPolarHBondContact O-CA 3.29Å; Y6-Q45 VanDerWaalsContact O-CB 3.29Å; Y6-Q45 WeakPolarHBondContact O-CB 3.38Å; Y6-Q45 PolarHBondContact O-N 2.61Å; A7-Q45 HydrophobicContact CB-CB 4.4Å; I43-Q45 HydrophobicContact CG2-CG 4.35Å; I43-Q45 PolarHBondContact O-N 3.37Å; Q45-G47 PolarHBondContact O-N 2.81Å; Q45-K48 HydrophobicContact CB-CB 4.06Å; Q45-K48 HydrophobicContact CB-CG 4.14Å; Q45-K48 VanDerWaalsContact O-CB 3.26Å; Q45-K48 WeakPolarHBondContact O-CB 3.41Å; Q45-K48 WeakPolarHBondContact O-CG 3.41Å; Q45-K48 PolarHBondContact O-N 2.88Å; Q45-V361 HydrophobicContact CB-CG1 4.38Å; Q45-V361 HydrophobicContact CG-CG1 4.22Å; Q45-V361 HydrophobicContact CG-CG2 4.29Å; Q45-Y372 PolarHBondContact NE2-OH 3.18Å
46S98.3Very high97.7Very high62 Ų6245.5 Ų45.543%0.43426%0.255SS..EExtended strand (participates in β ladder)trans-46.1132.8174.2-720000112.3Y6 D44 K48Y6-S46 VanDerWaalsContact CE1-OG 3.26Å; Y6-S46 WeakPolarHBondContact CE1-OG 3.47Å; D44-S46 VanDerWaalsContact OD1-CB 3.25Å; D44-S46 WeakPolarHBondContact OD1-CB 3.32Å; D44-S46 PolarHBondContact OD1-N 3.33Å; D44-S46 PolarHBondContact OD1-OG 3.39Å; S46-K48 PolarHBondContact O-N 3.15Å
47G98.4Very high97.8Very high29 Ų2938.7 Ų38.730%0.29923%0.225SC..EExtended strand (participates in β ladder)trans77.4-6.1-177.900000115.3D8 Q45 P364D8-G47 VanDerWaalsContact CG-N 3.34Å; D8-G47 PolarHBondContact OD1-N 3.31Å; D8-G47 WeakPolarHBondContact OD2-CA 3.05Å; Q45-G47 PolarHBondContact O-N 2.81Å; G47-P364 WeakPolarHBondContact O-CG 3.4Å
48K98.8Very high98Very high47 Ų4737.6 Ų37.620%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-99.4167.9176.8-46.9-54.2-179.4-162.60111.6D8 Q45 S46 V361 L362 E363 V369D8-K48 PolarHBondContact N-O 2.85Å; Q45-K48 HydrophobicContact CB-CB 4.06Å; Q45-K48 HydrophobicContact CB-CG 4.14Å; Q45-K48 VanDerWaalsContact O-CB 3.26Å; Q45-K48 WeakPolarHBondContact O-CB 3.41Å; Q45-K48 WeakPolarHBondContact O-CG 3.41Å; Q45-K48 PolarHBondContact O-N 2.88Å; S46-K48 PolarHBondContact O-N 3.15Å; K48-V361 HydrophobicContact CB-CG1 3.6Å; K48-V361 HydrophobicContact CG-CG1 3.88Å; K48-L362 WeakPolarHBondContact CA-O 3.17Å; K48-E363 WeakPolarHBondContact CD-OE2 3.4Å; K48-E363 IonicContact NZ-OE1 3.22Å; K48-E363 PolarHBondContact NZ-OE1 3.06Å; K48-E363 IonicContact NZ-OE2 2.81Å; K48-E363 PolarHBondContact NZ-OE2 2.89Å; K48-V369 HydrophobicContact CD-CG2 4.31Å
49W98.8Very high98.2Very high30 Ų3028.4 Ų28.411%0.11418%0.176CC..EExtended strand (participates in β ladder)trans-115.8146.3174.8-56.5-12.3000110.7K9 F11 P327 V361 L362 P364 M366K9-W49 HydrophobicContact CB-CB 4.09Å; K9-W49 HydrophobicContact CB-CD2 4.26Å; K9-W49 HydrophobicContact CB-CG 3.65Å; K9-W49 HydrophobicContact CD-CD2 3.87Å; K9-W49 HydrophobicContact CD-CE3 4.25Å; K9-W49 HydrophobicContact CD-CG 4.12Å; K9-W49 HydrophobicContact CD-CZ2 4.42Å; K9-W49 HydrophobicContact CG-CG 4.41Å; K9-W49 VanDerWaalsContact NZ-CH2 3.31Å; K9-W49 CarbonylContact O-C 3.41Å; K9-W49 WeakPolarHBondContact O-CA 3.34Å; F11-W49 HydrophobicContact CE2-CB 3.82Å; F11-W49 HydrophobicContact CE2-CD2 4.31Å; F11-W49 AromaticContact CE2-CE3 3.81Å; F11-W49 HydrophobicContact CE2-CE3 3.81Å; F11-W49 HydrophobicContact CE2-CG 4.37Å; F11-W49 HydrophobicContact CZ-CD2 4.33Å; F11-W49 AromaticContact CZ-CE3 3.59Å; F11-W49 HydrophobicContact CZ-CE3 3.59Å; F11-W49 HydrophobicContact CZ-CZ3 4.12Å; W49-P327 HydrophobicContact CH2-CG 4.37Å; W49-P327 HydrophobicContact CZ3-CB 3.82Å; W49-P327 HydrophobicContact CZ3-CG 4.04Å; W49-V361 WeakPolarHBondContact O-CA 3.31Å; W49-L362 HydrophobicContact CB-CB 4.48Å; W49-L362 PolarHBondContact N-O 3.39Å; W49-L362 PolarHBondContact O-N 2.95Å; W49-P364 HydrophobicContact CH2-CB 4.05Å; W49-P364 VanDerWaalsContact CH2-O 3.24Å; W49-P364 WeakPolarHBondContact CH2-O 3.47Å; W49-P364 HydrophobicContact CZ2-CB 3.57Å; W49-P364 HydrophobicContact CZ2-CG 4.27Å; W49-P364 WeakPolarHBondContact CZ3-O 3.49Å; W49-M366 HydrophobicContact CE3-SD 4.14Å; W49-M366 HydrophobicContact CZ3-SD 3.83Å
50I98.8Very high98.4Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-110.5121.3178.2-54.9-56.1000109.4I5 A7 K9 F10 F11 I351 F359 V361I5-I50 HydrophobicContact CD1-CD1 3.44Å; I5-I50 VanDerWaalsContact CD1-CD1 3.44Å; I5-I50 HydrophobicContact CD1-CG1 4.12Å; I5-I50 HydrophobicContact CG1-CD1 4.12Å; I5-I50 HydrophobicContact CG1-CG1 4.42Å; A7-I50 HydrophobicContact CB-CD1 4.07Å; A7-I50 HydrophobicContact CB-CG1 3.49Å; A7-I50 VanDerWaalsContact CB-CG1 3.49Å; K9-I50 PolarHBondContact O-N 3.07Å; F10-I50 CarbonylContact C-O 3.56Å; F10-I50 WeakPolarHBondContact CA-O 3.49Å; F10-I50 HydrophobicContact CD1-CB 3.64Å; F10-I50 HydrophobicContact CD1-CG1 3.92Å; F10-I50 HydrophobicContact CD1-CG2 4.11Å; F10-I50 HydrophobicContact CE1-CB 3.91Å; F10-I50 HydrophobicContact CE1-CG1 3.66Å; F10-I50 HydrophobicContact CE1-CG2 4.39Å; F10-I50 HydrophobicContact CG-CB 4.42Å; F10-I50 HydrophobicContact CZ-CG1 4.35Å; F11-I50 WeakPolarHBondContact CD2-O 3.23Å; F11-I50 PolarHBondContact N-O 3.23Å; I50-I351 HydrophobicContact CG2-CD1 3.89Å; I50-F359 HydrophobicContact CD1-CD2 4.41Å; I50-F359 HydrophobicContact CD1-CE2 4.41Å; I50-F359 HydrophobicContact CG2-CB 4.12Å; I50-F359 HydrophobicContact CG2-CD2 3.78Å; I50-F359 HydrophobicContact CG2-CG 4.12Å; I50-V361 HydrophobicContact CD1-CB 4.36Å; I50-V361 HydrophobicContact CD1-CG1 4.28Å; I50-V361 HydrophobicContact CD1-CG2 3.8Å
51A98.8Very high98.5Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-120.7156.6177.400000110.9F11 V331 F359 I360 L362F11-A51 HydrophobicContact CB-CB 4.34Å; F11-A51 HydrophobicContact CD2-CB 3.72Å; F11-A51 HydrophobicContact CE2-CB 4.43Å; F11-A51 HydrophobicContact CG-CB 4.34Å; A51-V331 HydrophobicContact CB-CG1 3.75Å; A51-V331 HydrophobicContact CB-CG2 4.01Å; A51-F359 WeakPolarHBondContact O-CA 3.39Å; A51-F359 WeakPolarHBondContact O-CB 3.42Å; A51-I360 HydrophobicContact CB-CD1 4.13Å; A51-I360 HydrophobicContact CB-CG1 3.76Å; A51-I360 PolarHBondContact N-O 3.39Å; A51-I360 PolarHBondContact O-N 3.15Å; A51-L362 HydrophobicContact CB-CD1 4.02Å
52P98.8Very high98.6Very high4 Ų419.1 Ų19.13%0.02611%0.108CC..EExtended strand (participates in β ladder)trans-56.6151.8171-15.627.7000110.7F11 L54 I351F11-P52 WeakPolarHBondContact O-CD 3.34Å; P52-L54 PolarHBondContact O-N 3.46Å; P52-I351 HydrophobicContact CB-CG1 4.19Å; P52-I351 HydrophobicContact CG-CD1 4.47Å; P52-I351 HydrophobicContact CG-CG1 4.01Å
53G98.9Very high98.6Very high2 Ų220.6 Ų20.62%0.02111%0.112CC..PPolyproline II helixtrans-57139.8170.900000111.5T88 D358G53-T88 VanDerWaalsContact CA-OG1 3.32Å; G53-T88 WeakPolarHBondContact CA-OG1 3.36Å; G53-D358 PolarHBondContact N-O 2.86Å
54L99Very high98.6Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-73.2149.7-177.5-51.2-179.5000110.4P52 G86 V87 T88 S89 L312 K313 I316 A334 I360P52-L54 PolarHBondContact O-N 3.46Å; L54-G86 VanDerWaalsContact CB-O 3.31Å; L54-G86 WeakPolarHBondContact CB-O 3.32Å; L54-G86 WeakPolarHBondContact CG-O 3.49Å; L54-G86 PolarHBondContact N-O 2.94Å; L54-V87 HydrophobicContact CB-CG2 4.33Å; L54-V87 WeakPolarHBondContact O-CA 3.19Å; L54-T88 PolarHBondContact O-N 3.39Å; L54-S89 PolarHBondContact O-N 3.3Å; L54-L312 HydrophobicContact CB-CD2 3.78Å; L54-L312 HydrophobicContact CB-CG 4.33Å; L54-L312 HydrophobicContact CD1-CB 4.28Å; L54-L312 HydrophobicContact CD1-CG 4.16Å; L54-K313 HydrophobicContact CD1-CB 4.43Å; L54-I316 HydrophobicContact CD1-CD1 4.43Å; L54-A334 WeakPolarHBondContact CA-O 3.41Å; L54-A334 HydrophobicContact CD2-CB 3.97Å; L54-I360 HydrophobicContact CD1-CD1 4.33Å; L54-I360 HydrophobicContact CD2-CD1 3.75Å; L54-I360 HydrophobicContact CG-CD1 3.87Å
55V99Very high98.7Very high0 Ų019.4 Ų19.40%011%0.105CC..EExtended strand (participates in β ladder)trans-122.4108-175.3-172.60000109.3T57 S89 A334 S335 P338 A339 I344 C348V55-T57 HydrophobicContact CG1-CG2 3.98Å; V55-S89 VanDerWaalsContact CA-O 3.28Å; V55-S89 WeakPolarHBondContact CA-O 3.49Å; V55-A334 PolarHBondContact N-O 3.02Å; V55-S335 WeakPolarHBondContact CG2-O 3.49Å; V55-P338 HydrophobicContact CB-CB 4.49Å; V55-P338 HydrophobicContact CB-CG 4.17Å; V55-P338 WeakPolarHBondContact O-CG 3.23Å; V55-A339 HydrophobicContact CG1-CB 4.48Å; V55-A339 HydrophobicContact CG2-CB 4.43Å; V55-I344 HydrophobicContact CG1-CD1 4.03Å; V55-C348 HydrophobicContact CG2-CB 4.1Å
56D98.9Very high98.7Very high2 Ų218.6 Ų18.61%0.01110%0.101CC..EExtended strand (participates in β ladder)trans-98.399179.9-159.9-10.4000111H58 I59 V87 S89 F90 L91 T271 L312D56-H58 VanDerWaalsContact C-N 3.31Å; D56-H58 PolarHBondContact OD1-N 2.93Å; D56-I59 HydrophobicContact CB-CG2 4.42Å; D56-V87 HydrophobicContact CB-CG1 4.05Å; D56-V87 HydrophobicContact CB-CG2 4.21Å; D56-S89 PolarHBondContact N-O 3Å; D56-F90 HydrophobicContact CB-CB 4.33Å; D56-F90 CarbonylContact O-C 3.59Å; D56-F90 WeakPolarHBondContact O-CA 3.47Å; D56-F90 WeakPolarHBondContact O-CB 3.25Å; D56-L91 PolarHBondContact O-N 3.13Å; D56-T271 PolarHBondContact OD1-N 2.79Å; D56-T271 PolarHBondContact OD1-OG1 3.36Å; D56-T271 WeakPolarHBondContact OD2-CB 3.34Å; D56-T271 WeakPolarHBondContact OD2-CG2 3.19Å; D56-T271 PolarHBondContact OD2-OG1 3.34Å; D56-L312 HydrophobicContact CB-CD2 3.9Å
57T98.9Very high98.7Very high0 Ų015.6 Ų15.60%08%0.081CC..EExtended strand (participates in β ladder)trans-87.93.3-175.554.30000114.1V55 L91 Y125 I270 P338 C342 I344V55-T57 HydrophobicContact CG1-CG2 3.98Å; T57-L91 HydrophobicContact CG2-CD1 4.01Å; T57-L91 HydrophobicContact CG2-CG 4.2Å; T57-Y125 WeakPolarHBondContact O-CD1 3.49Å; T57-I270 WeakPolarHBondContact OG1-CG2 3.44Å; T57-P338 HydrophobicContact CG2-CB 3.89Å; T57-C342 HydrophobicContact CG2-CB 4.13Å; T57-C342 VanDerWaalsContact CG2-SG 3.59Å; T57-I344 HydrophobicContact CG2-CD1 4.29Å
58H98.9Very high98.7Very high0 Ų015.1 Ų15.10%07%0.071CC..EExtended strand (participates in β ladder)trans-150.293.6179.9-168.4164.6000110.1D56 H60 Y125 E127 V213 H214 E242 I270 T271 D272D56-H58 VanDerWaalsContact C-N 3.31Å; D56-H58 PolarHBondContact OD1-N 2.93Å; H58-H60 AromaticContact NE2-NE2 3.62Å; H58-Y125 HydrophobicContact CB-CD1 4.18Å; H58-Y125 HydrophobicContact CB-CE1 4.12Å; H58-Y125 AromaticContact CD2-CD1 3.99Å; H58-Y125 AromaticContact CD2-CE1 3.58Å; H58-Y125 AromaticContact CE1-CE1 3.64Å; H58-Y125 AromaticContact CG-CD1 3.96Å; H58-Y125 AromaticContact CG-CE1 3.5Å; H58-Y125 AromaticContact ND1-CE1 3.53Å; H58-Y125 AromaticContact NE2-CE1 3.61Å; H58-E127 IonicContact CE1-OE1 3.64Å; H58-E127 PolarHBondContact CE1-OE1 3.35Å; H58-E127 IonicContact NE2-OE1 3.36Å; H58-E127 PolarHBondContact NE2-OE1 3.01Å; H58-E127 IonicContact NE2-OE2 2.73Å; H58-V213 VanDerWaalsContact CE1-CG1 3.42Å; H58-V213 WeakPolarHBondContact CE1-CG1 3.48Å; H58-H214 AromaticContact CE1-CD2 3.84Å; H58-E242 IonicContact CE1-OE2 3.21Å; H58-E242 IonicContact CG-OE2 3.98Å; H58-E242 IonicContact ND1-OE2 3.21Å; H58-E242 PolarHBondContact ND1-OE2 2.93Å; H58-I270 HydrophobicContact CB-CB 3.8Å; H58-I270 HydrophobicContact CB-CD1 3.97Å; H58-I270 HydrophobicContact CB-CG1 3.95Å; H58-I270 HydrophobicContact CB-CG2 3.99Å; H58-T271 PolarHBondContact O-OG1 2.99Å; H58-D272 IonicContact CD2-OD1 3.44Å; H58-D272 IonicContact NE2-OD1 2.85Å; H58-D272 WeakPolarHBondContact O-CA 3.43Å; H58-D272 PolarHBondContact O-N 3.21Å
59I98.9Very high98.6Very high1 Ų116.7 Ų16.71%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-150.1124.6-179.1178.6159.3000111.4D56 L82 F90 T93 C273D56-I59 HydrophobicContact CB-CG2 4.42Å; I59-L82 HydrophobicContact CD1-CD1 4.31Å; I59-L82 HydrophobicContact CD1-CD2 3.53Å; I59-L82 HydrophobicContact CD1-CG 4.47Å; I59-F90 HydrophobicContact CG2-CB 4.26Å; I59-F90 HydrophobicContact CG2-CD2 3.8Å; I59-T93 PolarHBondContact N-OG1 2.74Å; I59-T93 WeakPolarHBondContact O-CB 3.25Å; I59-T93 PolarHBondContact O-N 3.27Å; I59-T93 PolarHBondContact O-OG1 2.78Å; I59-C273 HydrophobicContact CD1-CB 3.95Å; I59-C273 HydrophobicContact CG1-CB 4.02Å
60H98.7Very high98.6Very high1 Ų117 Ų171%0.0059%0.085CC..  trans-91.8-33.7-178.9-64.7-71.4000113.3H58 V67 T93 T94 E127 D272 C273 L286H58-H60 AromaticContact NE2-NE2 3.62Å; H60-V67 WeakPolarHBondContact O-CB 3.49Å; H60-V67 VanDerWaalsContact O-CG2 3.25Å; H60-V67 WeakPolarHBondContact O-CG2 3.19Å; H60-V67 PolarHBondContact O-N 3.48Å; H60-T93 VanDerWaalsContact CE1-CG2 3.4Å; H60-T93 WeakPolarHBondContact CE1-CG2 3.43Å; H60-T93 PolarHBondContact ND1-O 3.23Å; H60-T94 PolarHBondContact CE1-O 3.11Å; H60-E127 IonicContact CE1-OE2 3.91Å; H60-E127 PolarHBondContact CE1-OE2 2.9Å; H60-E127 IonicContact NE2-OE2 3.01Å; H60-E127 PolarHBondContact NE2-OE2 2.85Å; H60-E127 VanDerWaalsContact NE2-OE2 3.09Å; H60-D272 IonicContact CD2-OD1 3.94Å; H60-D272 PolarHBondContact CD2-OD1 3.49Å; H60-D272 IonicContact NE2-OD1 3.56Å; H60-D272 PolarHBondContact NE2-OD1 2.99Å; H60-C273 WeakPolarHBondContact CA-O 3.07Å; H60-C273 WeakPolarHBondContact CB-O 3.18Å; H60-C273 PolarHBondContact N-O 3.19Å; H60-L286 HydrophobicContact CB-CD1 4.23Å
61G98.5Very high98.6Very high0 Ų020.2 Ų20.20%010%0.102CC..EExtended strand (participates in β ladder)trans-164.7158.7-172.400000113.2H65 C273 M274G61-H65 CarbonylContact C-O 3.53Å; G61-H65 WeakPolarHBondContact CA-O 3.33Å; G61-C273 PolarHBondContact N-O 2.66Å; G61-C273 CarbonylContact O-C 3.6Å; G61-M274 CarbonylContact C-O 3.59Å; G61-M274 CarbonylContact O-C 3.17Å; G61-M274 VanDerWaalsContact O-O 3.14Å
62Y98.7Very high98.6Very high5 Ų521.5 Ų21.52%0.0211%0.113CC..EExtended strand (participates in β ladder)trans-161.1148.3174.3-160-107.3000109.8N64 H65 M78 A81 L82 C85 G277 K311Y62-N64 VanDerWaalsContact C-N 3.35Å; Y62-N64 PolarHBondContact O-N 2.86Å; Y62-H65 PolarHBondContact N-O 3.48Å; Y62-H65 PolarHBondContact O-N 3.37Å; Y62-M78 WeakPolarHBondContact O-CG 3.2Å; Y62-A81 HydrophobicContact CD1-CB 3.63Å; Y62-A81 HydrophobicContact CE1-CB 3.84Å; Y62-L82 HydrophobicContact CD1-CD2 4.44Å; Y62-L82 HydrophobicContact CG-CD2 4.27Å; Y62-C85 PolarHBondContact OH-SG 3.32Å; Y62-G277 VanDerWaalsContact CD2-C 3.49Å; Y62-G277 WeakPolarHBondContact CD2-O 3.35Å; Y62-K311 HydrophobicContact CE2-CG 4.46Å
63K98.1Very high98.6Very high81 Ų8126.4 Ų26.435%0.35214%0.139SC..THydrogen-bonded Turntrans51.846.3-179.7-71.5-62.5-174.3178.40114.6H65 V77 A81 M275 G277 G278 M279K63-H65 VanDerWaalsContact C-N 3.25Å; K63-H65 PolarHBondContact O-CD2 3.03Å; K63-H65 PolarHBondContact O-N 3.24Å; K63-V77 HydrophobicContact CB-CG1 4.36Å; K63-A81 HydrophobicContact CB-CB 4.16Å; K63-A81 HydrophobicContact CG-CB 3.42Å; K63-A81 VanDerWaalsContact CG-CB 3.42Å; K63-M275 PolarHBondContact N-O 3.47Å; K63-G277 PolarHBondContact N-O 2.9Å; K63-G278 WeakPolarHBondContact CE-O 3.5Å; K63-G278 PolarHBondContact NZ-O 3.31Å; K63-M279 HydrophobicContact CD-SD 4.13Å
64N98Very high98.5Very high72 Ų7226.4 Ų26.439%0.38514%0.14SC..THydrogen-bonded Turntrans65.724.7176.6-162.871.1000114.5Y62 M275 M279 Y284Y62-N64 VanDerWaalsContact C-N 3.35Å; Y62-N64 PolarHBondContact O-N 2.86Å; N64-M275 VanDerWaalsContact CA-O 3.31Å; N64-M275 WeakPolarHBondContact CA-O 3.39Å; N64-M275 PolarHBondContact N-O 2.97Å; N64-M275 WeakPolarHBondContact O-CE 3.13Å; N64-M279 HydrophobicContact CB-CE 3.85Å; N64-M279 HydrophobicContact CB-CG 4.01Å; N64-M279 HydrophobicContact CB-SD 3.89Å; N64-Y284 WeakPolarHBondContact OD1-CE1 3.33Å
65H98.4Very high98.5Very high47 Ų4726.5 Ų26.522%0.21814%0.14CC..EExtended strand (participates in β ladder)trans-122.9141.9170.6-66.3-78.1000109.6G61 Y62 K63 G74 M78 M275G61-H65 CarbonylContact C-O 3.53Å; G61-H65 WeakPolarHBondContact CA-O 3.33Å; Y62-H65 PolarHBondContact N-O 3.48Å; Y62-H65 PolarHBondContact O-N 3.37Å; K63-H65 VanDerWaalsContact C-N 3.25Å; K63-H65 PolarHBondContact O-CD2 3.03Å; K63-H65 PolarHBondContact O-N 3.24Å; H65-G74 WeakPolarHBondContact ND1-CA 2.99Å; H65-M78 HydrophobicContact CB-CG 3.88Å; H65-M78 HydrophobicContact CB-SD 4.16Å; H65-M275 WeakPolarHBondContact O-CB 3.15Å
66D98.4Very high98.5Very high7 Ų729.2 Ų29.24%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-121.7142.3177.4-163.4-70.4000110.1M68 D69 M275D66-M68 PolarHBondContact O-N 3.3Å; D66-M68 VanDerWaalsContact OD1-CB 3.23Å; D66-M68 WeakPolarHBondContact OD1-CB 3.22Å; D66-M68 PolarHBondContact OD1-N 3.49Å; D66-D69 PolarHBondContact N-OD2 3.04Å; D66-D69 VanDerWaalsContact O-CB 3.23Å; D66-D69 WeakPolarHBondContact O-CB 3.42Å; D66-D69 PolarHBondContact O-N 3.49Å; D66-M275 HydrophobicContact CB-CB 4.17Å
67V98.7Very high98.5Very high0 Ų032.1 Ų32.10%017%0.17CC..G310 helixtrans-57.2-34.5175.5168.80000111.2H60 D69 N70 M78 P92 T94 V105 I109H60-V67 WeakPolarHBondContact O-CB 3.49Å; H60-V67 VanDerWaalsContact O-CG2 3.25Å; H60-V67 WeakPolarHBondContact O-CG2 3.19Å; H60-V67 PolarHBondContact O-N 3.48Å; V67-D69 PolarHBondContact O-N 2.95Å; V67-N70 PolarHBondContact O-N 3.36Å; V67-M78 HydrophobicContact CG2-CE 4.01Å; V67-M78 HydrophobicContact CG2-SD 4.38Å; V67-P92 HydrophobicContact CG1-CB 4.28Å; V67-P92 HydrophobicContact CG2-CB 3.67Å; V67-T94 HydrophobicContact CG1-CG2 4.24Å; V67-V105 HydrophobicContact CG1-CG1 3.8Å; V67-I109 HydrophobicContact CG1-CD1 4.1Å
68M98.3Very high98.5Very high19 Ų1932.1 Ų32.19%0.09417%0.17CC..G310 helixtrans-72.8-7.8177.8-62.9-56.1-59.400113.9D66 N70 T94 L95 S97 R101 L102D66-M68 PolarHBondContact O-N 3.3Å; D66-M68 VanDerWaalsContact OD1-CB 3.23Å; D66-M68 WeakPolarHBondContact OD1-CB 3.22Å; D66-M68 PolarHBondContact OD1-N 3.49Å; M68-N70 PolarHBondContact O-N 3.5Å; M68-T94 HydrophobicContact SD-CG2 4.26Å; M68-L95 HydrophobicContact CG-CB 4Å; M68-L95 HydrophobicContact CG-CD1 4.12Å; M68-L95 HydrophobicContact CG-CG 4.2Å; M68-L95 HydrophobicContact SD-CB 4.36Å; M68-L95 PolarHBondContact SD-N 3.11Å; M68-L95 VanDerWaalsContact SD-N 3.35Å; M68-S97 VanDerWaalsContact CE-CB 3.45Å; M68-R101 HydrophobicContact CE-CG 3.96Å; M68-R101 PolarHBondContact O-NE 3.33Å; M68-R101 PolarHBondContact O-NH2 2.99Å; M68-L102 HydrophobicContact CE-CD2 4.47Å
69D97.7Very high98.5Very high80 Ų8032.1 Ų32.143%0.42817%0.17SC..G310 helixtrans-67.6-20.3170.2-66.8-31.6000111.5D66 V67 D71 R101D66-D69 PolarHBondContact N-OD2 3.04Å; D66-D69 VanDerWaalsContact O-CB 3.23Å; D66-D69 WeakPolarHBondContact O-CB 3.42Å; D66-D69 PolarHBondContact O-N 3.49Å; V67-D69 PolarHBondContact O-N 2.95Å; D69-D71 HydrophobicContact CB-CB 4.38Å; D69-D71 PolarHBondContact O-N 3.39Å; D69-R101 PolarHBondContact O-NH2 3.1Å
70N98.3Very high98.5Very high36 Ų3635.6 Ų35.619%0.19319%0.186CC..  trans52.543.2-174.7-166.526.4000112.2V67 M68 R101 D104 V105 T108V67-N70 PolarHBondContact O-N 3.36Å; M68-N70 PolarHBondContact O-N 3.5Å; N70-R101 VanDerWaalsContact CB-NH1 3.25Å; N70-R101 VanDerWaalsContact CB-NH2 3.29Å; N70-D104 PolarHBondContact OD1-O 2.86Å; N70-V105 HydrophobicContact CB-CG2 3.79Å; N70-V105 WeakPolarHBondContact OD1-CA 3.31Å; N70-T108 WeakPolarHBondContact OD1-CB 3.42Å; N70-T108 PolarHBondContact OD1-OG1 3.15Å
71D98.4Very high98.5Very high67 Ų6736.4 Ų36.436%0.35819%0.192SC..  trans-115.3113.6179.4176.422.7000110.1D69 D73 G74 I75D69-D71 HydrophobicContact CB-CB 4.38Å; D69-D71 PolarHBondContact O-N 3.39Å; D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.67Å; D71-D73 PolarHBondContact OD1-N 3.23Å; D71-D73 VanDerWaalsContact OD1-N 3.1Å; D71-G74 PolarHBondContact O-N 2.94Å; D71-G74 PolarHBondContact OD2-N 3.03Å; D71-G74 VanDerWaalsContact OD2-N 3.12Å; D71-I75 WeakPolarHBondContact O-CG1 3.42Å; D71-I75 PolarHBondContact O-N 2.85Å
72A98.7Very high98.5Very high27 Ų2736.5 Ų36.522%0.22319%0.193CC..Hα-helixtrans-61.8-35.7179.700000112.2I75 K76 T108 M112A72-I75 PolarHBondContact O-N 3.02Å; A72-K76 WeakPolarHBondContact O-CG 3.3Å; A72-K76 PolarHBondContact O-N 2.79Å; A72-T108 HydrophobicContact CB-CG2 4.04Å; A72-M112 HydrophobicContact CB-CB 4.34Å; A72-M112 HydrophobicContact CB-CE 4.36Å; A72-M112 HydrophobicContact CB-CG 4.04Å; A72-M112 WeakPolarHBondContact O-CE 3.42Å
73D98.6Very high98.5Very high107 Ų10736.3 Ų36.357%0.57219%0.192SC*.Hα-helixtrans-69.9-40.5178.8-72.5-25000110.4D71 I75 K76 V77D71-D73 VanDerWaalsContact C-N 3.27Å; D71-D73 PolarHBondContact O-N 2.67Å; D71-D73 PolarHBondContact OD1-N 3.23Å; D71-D73 VanDerWaalsContact OD1-N 3.1Å; D73-I75 VanDerWaalsContact C-N 3.33Å; D73-I75 PolarHBondContact O-N 3.36Å; D73-K76 WeakPolarHBondContact O-CB 3.4Å; D73-K76 PolarHBondContact O-N 3.42Å; D73-K76 VanDerWaalsContact O-N 3.16Å; D73-V77 WeakPolarHBondContact O-CG2 3.33Å; D73-V77 PolarHBondContact O-N 3.28Å
74G98.6Very high98.6Very high3 Ų333.4 Ų33.43%0.03118%0.182CC..Hα-helixtrans-57.7-41.9171.600000113.6H65 D71 K76 V77 M78H65-G74 WeakPolarHBondContact ND1-CA 2.99Å; D71-G74 PolarHBondContact O-N 2.94Å; D71-G74 PolarHBondContact OD2-N 3.03Å; D71-G74 VanDerWaalsContact OD2-N 3.12Å; G74-K76 PolarHBondContact O-N 3.22Å; G74-V77 WeakPolarHBondContact O-CB 3.36Å; G74-V77 PolarHBondContact O-N 2.76Å; G74-M78 WeakPolarHBondContact O-CG 3.41Å; G74-M78 PolarHBondContact O-N 2.62Å
75I98.8Very high98.6Very high2 Ų230.1 Ų30.11%0.0116%0.164CC..Hα-helixtrans-66.6-36.4176.1-64.4175.3000111.5D71 A72 D73 M78 S79 I109 M112 I121D71-I75 WeakPolarHBondContact O-CG1 3.42Å; D71-I75 PolarHBondContact O-N 2.85Å; A72-I75 PolarHBondContact O-N 3.02Å; D73-I75 VanDerWaalsContact C-N 3.33Å; D73-I75 PolarHBondContact O-N 3.36Å; I75-M78 WeakPolarHBondContact O-CB 3.38Å; I75-M78 PolarHBondContact O-N 2.96Å; I75-S79 PolarHBondContact O-N 3.35Å; I75-I109 HydrophobicContact CD1-CD1 4.13Å; I75-I109 HydrophobicContact CD1-CG1 3.61Å; I75-M112 HydrophobicContact CB-CE 4.22Å; I75-M112 HydrophobicContact CB-SD 4.35Å; I75-M112 HydrophobicContact CG2-CE 4.06Å; I75-M112 HydrophobicContact CG2-SD 3.87Å; I75-I121 HydrophobicContact CG2-CD1 3.74Å
76K98.8Very high98.6Very high57 Ų5727.9 Ų27.925%0.24815%0.154CC..Hα-helixtrans-63.5-41172.6-70.9173.1-178.1178.10111.5A72 D73 G74 S79 E80 M112 E115 V116A72-K76 WeakPolarHBondContact O-CG 3.3Å; A72-K76 PolarHBondContact O-N 2.79Å; D73-K76 WeakPolarHBondContact O-CB 3.4Å; D73-K76 PolarHBondContact O-N 3.42Å; D73-K76 VanDerWaalsContact O-N 3.16Å; G74-K76 PolarHBondContact O-N 3.22Å; K76-S79 PolarHBondContact O-N 3.01Å; K76-E80 PolarHBondContact O-N 3.24Å; K76-E80 VanDerWaalsContact O-N 3.07Å; K76-M112 HydrophobicContact CD-CE 4.21Å; K76-M112 HydrophobicContact CG-CE 3.52Å; K76-E115 WeakPolarHBondContact CE-O 3.36Å; K76-E115 IonicContact NZ-OE2 2.73Å; K76-E115 PolarHBondContact NZ-OE2 2.95Å; K76-V116 HydrophobicContact CG-CG1 4.28Å
77V98.7Very high98.7Very high63 Ų6327.5 Ų27.538%0.38215%0.152SC..Hα-helixtrans-62.7-44174.51740000111.2K63 D73 G74 S79 E80 A81K63-V77 HydrophobicContact CB-CG1 4.36Å; D73-V77 WeakPolarHBondContact O-CG2 3.33Å; D73-V77 PolarHBondContact O-N 3.28Å; G74-V77 WeakPolarHBondContact O-CB 3.36Å; G74-V77 PolarHBondContact O-N 2.76Å; V77-S79 PolarHBondContact O-N 3.46Å; V77-E80 PolarHBondContact O-N 2.84Å; V77-A81 VanDerWaalsContact O-CB 3.23Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.18Å
78M98.8Very high98.7Very high0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-57.1-50.1174.2-70.5173.259.500111.1Y62 H65 V67 G74 I75 E80 A81 L82Y62-M78 WeakPolarHBondContact O-CG 3.2Å; H65-M78 HydrophobicContact CB-CG 3.88Å; H65-M78 HydrophobicContact CB-SD 4.16Å; V67-M78 HydrophobicContact CG2-CE 4.01Å; V67-M78 HydrophobicContact CG2-SD 4.38Å; G74-M78 WeakPolarHBondContact O-CG 3.41Å; G74-M78 PolarHBondContact O-N 2.62Å; I75-M78 WeakPolarHBondContact O-CB 3.38Å; I75-M78 PolarHBondContact O-N 2.96Å; M78-E80 PolarHBondContact O-N 3.24Å; M78-A81 PolarHBondContact O-N 3.32Å; M78-L82 WeakPolarHBondContact O-CB 3.32Å; M78-L82 WeakPolarHBondContact O-CG 3.13Å; M78-L82 PolarHBondContact O-N 3.23Å
79S98.9Very high98.7Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-54.6-49.8179.6170.90000112.3I75 K76 V77 V116 G118 A119I75-S79 PolarHBondContact O-N 3.35Å; K76-S79 PolarHBondContact O-N 3.01Å; V77-S79 PolarHBondContact O-N 3.46Å; S79-V116 WeakPolarHBondContact OG-CB 3.47Å; S79-G118 WeakPolarHBondContact OG-CA 3.28Å; S79-G118 PolarHBondContact OG-N 2.97Å; S79-A119 PolarHBondContact O-N 3.48Å; S79-A119 PolarHBondContact OG-N 3.16Å; S79-A119 VanDerWaalsContact OG-N 3.12Å; S79-A119 PolarHBondContact OG-O 2.79Å
80E98.8Very high98.8Very high74 Ų7422.9 Ų22.935%0.34613%0.128SC..Hα-helixtrans-63.7-44.3177-78.9-65.5154.100112.2K76 V77 M78 L82 L83 D117 G118 R378K76-E80 PolarHBondContact O-N 3.24Å; K76-E80 VanDerWaalsContact O-N 3.07Å; V77-E80 PolarHBondContact O-N 2.84Å; M78-E80 PolarHBondContact O-N 3.24Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.09Å; E80-L83 WeakPolarHBondContact O-CB 3.28Å; E80-L83 WeakPolarHBondContact O-CG 3.3Å; E80-L83 PolarHBondContact O-N 3Å; E80-D117 WeakPolarHBondContact OE1-CA 3.3Å; E80-D117 WeakPolarHBondContact OE1-CB 3.27Å; E80-G118 PolarHBondContact OE1-N 2.81Å; E80-G118 VanDerWaalsContact OE1-N 3.08Å; E80-R378 IonicContact OE1-NH2 3.47Å; E80-R378 PolarHBondContact OE1-NH2 2.78Å; E80-R378 IonicContact OE2-NH2 3.47Å; E80-R378 PolarHBondContact OE2-NH2 3.05Å
81A98.8Very high98.8Very high17 Ų1721.2 Ų21.214%0.1412%0.119CC..Hα-helixtrans-69.1-29-176.100000113.6Y62 K63 V77 M78 L83 S84Y62-A81 HydrophobicContact CD1-CB 3.63Å; Y62-A81 HydrophobicContact CE1-CB 3.84Å; K63-A81 HydrophobicContact CB-CB 4.16Å; K63-A81 HydrophobicContact CG-CB 3.42Å; K63-A81 VanDerWaalsContact CG-CB 3.42Å; V77-A81 VanDerWaalsContact O-CB 3.23Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 3.18Å; M78-A81 PolarHBondContact O-N 3.32Å; A81-L83 PolarHBondContact O-N 2.55Å; A81-S84 WeakPolarHBondContact O-CB 3.42Å; A81-S84 PolarHBondContact O-N 3.03Å; A81-S84 VanDerWaalsContact O-N 3.08Å; A81-S84 PolarHBondContact O-OG 3.09Å
82L98.9Very high98.8Very high2 Ų218 Ų181%0.0110%0.102CC..Hα-helixtrans-64.2-21.3178.4-79.9171.9000113.6I59 Y62 M78 E80 S84 C85 V87 F90 A119I59-L82 HydrophobicContact CD1-CD1 4.31Å; I59-L82 HydrophobicContact CD1-CD2 3.53Å; I59-L82 HydrophobicContact CD1-CG 4.47Å; Y62-L82 HydrophobicContact CD1-CD2 4.44Å; Y62-L82 HydrophobicContact CG-CD2 4.27Å; M78-L82 WeakPolarHBondContact O-CB 3.32Å; M78-L82 WeakPolarHBondContact O-CG 3.13Å; M78-L82 PolarHBondContact O-N 3.23Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.09Å; L82-S84 PolarHBondContact O-N 2.84Å; L82-C85 WeakPolarHBondContact O-CA 3.37Å; L82-C85 VanDerWaalsContact O-CB 3.26Å; L82-C85 WeakPolarHBondContact O-CB 3.35Å; L82-C85 PolarHBondContact O-N 2.97Å; L82-V87 HydrophobicContact CB-CB 4.14Å; L82-V87 HydrophobicContact CB-CG1 4.37Å; L82-V87 PolarHBondContact O-N 2.95Å; L82-F90 HydrophobicContact CD1-CB 4.28Å; L82-F90 HydrophobicContact CD1-CD1 4.05Å; L82-F90 HydrophobicContact CD1-CD2 3.75Å; L82-F90 HydrophobicContact CD1-CE1 4.29Å; L82-F90 HydrophobicContact CD1-CE2 3.98Å; L82-F90 HydrophobicContact CD1-CG 3.78Å; L82-F90 HydrophobicContact CD1-CZ 4.25Å; L82-A119 HydrophobicContact CB-CB 3.91Å; L82-A119 HydrophobicContact CD1-CB 4.43Å
83L98.9Very high98.8Very high2 Ų216.7 Ų16.71%0.019%0.091CC..G310 helixtrans-59.4-31.7171.9-61.4173.7000112.1E80 A81 C85 G86 T371 L373 R378E80-L83 WeakPolarHBondContact O-CB 3.28Å; E80-L83 WeakPolarHBondContact O-CG 3.3Å; E80-L83 PolarHBondContact O-N 3Å; A81-L83 PolarHBondContact O-N 2.55Å; L83-C85 PolarHBondContact O-N 3.05Å; L83-G86 PolarHBondContact O-N 3.17Å; L83-G86 VanDerWaalsContact O-N 3.1Å; L83-T371 HydrophobicContact CB-CG2 4.46Å; L83-T371 HydrophobicContact CD2-CG2 3.83Å; L83-T371 PolarHBondContact O-OG1 3.05Å; L83-L373 HydrophobicContact CD1-CD1 4.39Å; L83-L373 HydrophobicContact CD2-CD1 3.78Å; L83-L373 HydrophobicContact CD2-CD2 4.15Å; L83-L373 HydrophobicContact CD2-CG 3.9Å; L83-R378 HydrophobicContact CD1-CB 3.68Å
84S98.7Very high98.8Very high20 Ų2011.6 Ų11.614%0.146%0.064CC..G310 helixtrans-67.9-13.8174.574.50000113.8A81 L82 K313 L368A81-S84 WeakPolarHBondContact O-CB 3.42Å; A81-S84 PolarHBondContact O-N 3.03Å; A81-S84 VanDerWaalsContact O-N 3.08Å; A81-S84 PolarHBondContact O-OG 3.09Å; L82-S84 PolarHBondContact O-N 2.84Å; S84-K313 VanDerWaalsContact O-CE 3.28Å; S84-K313 WeakPolarHBondContact O-CE 3.44Å; S84-K313 PolarHBondContact O-NZ 3.13Å; S84-L368 WeakPolarHBondContact O-CD2 3.38Å
85C98.8Very high98.8Very high2 Ų211.9 Ų11.91%0.0147%0.065CC..G310 helixtrans-97.72175.9-59.50000112.9Y62 L82 L83 V87 K311 K313Y62-C85 PolarHBondContact OH-SG 3.32Å; L82-C85 WeakPolarHBondContact O-CA 3.37Å; L82-C85 VanDerWaalsContact O-CB 3.26Å; L82-C85 WeakPolarHBondContact O-CB 3.35Å; L82-C85 PolarHBondContact O-N 2.97Å; L83-C85 PolarHBondContact O-N 3.05Å; C85-V87 HydrophobicContact CB-CG2 3.98Å; C85-V87 PolarHBondContact O-N 3.45Å; C85-K311 HydrophobicContact CB-CB 4.18Å; C85-K313 WeakPolarHBondContact O-CB 3.31Å; C85-K313 PolarHBondContact O-N 2.88Å
86G98.8Very high98.7Very high0 Ų012.1 Ų12.10%07%0.066CC..THydrogen-bonded Turntrans78.14.6-17400000113.9L54 L83 I360 T371L54-G86 VanDerWaalsContact CB-O 3.31Å; L54-G86 WeakPolarHBondContact CB-O 3.32Å; L54-G86 WeakPolarHBondContact CG-O 3.49Å; L54-G86 PolarHBondContact N-O 2.94Å; L83-G86 PolarHBondContact O-N 3.17Å; L83-G86 VanDerWaalsContact O-N 3.1Å; G86-I360 VanDerWaalsContact O-CG2 3.32Å; G86-I360 WeakPolarHBondContact O-CG2 3.41Å; G86-T371 WeakPolarHBondContact CA-OG1 3.39Å
87V99Very high98.7Very high0 Ų010 Ų100%06%0.058CC..EExtended strand (participates in β ladder)trans-84.4123.4-175.8177.70000109.1L54 D56 L82 C85 S89 F90 A119 L312L54-V87 HydrophobicContact CB-CG2 4.33Å; L54-V87 WeakPolarHBondContact O-CA 3.19Å; D56-V87 HydrophobicContact CB-CG1 4.05Å; D56-V87 HydrophobicContact CB-CG2 4.21Å; L82-V87 HydrophobicContact CB-CB 4.14Å; L82-V87 HydrophobicContact CB-CG1 4.37Å; L82-V87 PolarHBondContact O-N 2.95Å; C85-V87 HydrophobicContact CB-CG2 3.98Å; C85-V87 PolarHBondContact O-N 3.45Å; V87-S89 VanDerWaalsContact CG1-O 3.24Å; V87-S89 WeakPolarHBondContact CG1-O 3.42Å; V87-F90 HydrophobicContact CG1-CB 4.15Å; V87-A119 HydrophobicContact CG1-CB 4.26Å; V87-A119 WeakPolarHBondContact O-CB 3.35Å; V87-L312 HydrophobicContact CG2-CB 3.87Å; V87-L312 HydrophobicContact CG2-CD2 4.09Å
88T98.9Very high98.6Very high1 Ų18.8 Ų8.81%0.0065%0.053CC..EExtended strand (participates in β ladder)trans-110.4-13.8175.965.50000112.4G53 L54 A119 K120 D358 T371 L373G53-T88 VanDerWaalsContact CA-OG1 3.32Å; G53-T88 WeakPolarHBondContact CA-OG1 3.36Å; L54-T88 PolarHBondContact O-N 3.39Å; T88-A119 CarbonylContact O-C 3.57Å; T88-K120 PolarHBondContact O-N 3.22Å; T88-D358 HydrophobicContact CG2-CB 4.16Å; T88-T371 HydrophobicContact CG2-CG2 3.71Å; T88-L373 HydrophobicContact CG2-CD2 3.7Å
89S99Very high98.6Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-143.8142176.2-74.30000110.6L54 V55 D56 V87 K120 Q122 C348L54-S89 PolarHBondContact O-N 3.3Å; V55-S89 VanDerWaalsContact CA-O 3.28Å; V55-S89 WeakPolarHBondContact CA-O 3.49Å; D56-S89 PolarHBondContact N-O 3Å; V87-S89 VanDerWaalsContact CG1-O 3.24Å; V87-S89 WeakPolarHBondContact CG1-O 3.42Å; S89-K120 CarbonylContact C-O 3.41Å; S89-K120 VanDerWaalsContact CA-O 3.25Å; S89-K120 WeakPolarHBondContact CA-O 3.43Å; S89-Q122 PolarHBondContact OG-NE2 2.75Å; S89-C348 WeakPolarHBondContact OG-CB 3.25Å
90F98.9Very high98.5Very high1 Ų119.7 Ų19.70%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-151.1164.6-179.276.5-66.6000113.1D56 I59 L82 V87 P92 A119 K120 I121 Q122D56-F90 HydrophobicContact CB-CB 4.33Å; D56-F90 CarbonylContact O-C 3.59Å; D56-F90 WeakPolarHBondContact O-CA 3.47Å; D56-F90 WeakPolarHBondContact O-CB 3.25Å; I59-F90 HydrophobicContact CG2-CB 4.26Å; I59-F90 HydrophobicContact CG2-CD2 3.8Å; L82-F90 HydrophobicContact CD1-CB 4.28Å; L82-F90 HydrophobicContact CD1-CD1 4.05Å; L82-F90 HydrophobicContact CD1-CD2 3.75Å; L82-F90 HydrophobicContact CD1-CE1 4.29Å; L82-F90 HydrophobicContact CD1-CE2 3.98Å; L82-F90 HydrophobicContact CD1-CG 3.78Å; L82-F90 HydrophobicContact CD1-CZ 4.25Å; V87-F90 HydrophobicContact CG1-CB 4.15Å; F90-P92 HydrophobicContact CD2-CG 4.12Å; F90-P92 HydrophobicContact CE2-CB 4.28Å; F90-P92 HydrophobicContact CE2-CG 3.56Å; F90-P92 HydrophobicContact CZ-CG 4.01Å; F90-A119 HydrophobicContact CD1-CB 3.84Å; F90-A119 HydrophobicContact CE1-CB 4.19Å; F90-A119 VanDerWaalsContact CE1-O 3.24Å; F90-A119 WeakPolarHBondContact CE1-O 3.42Å; F90-K120 PolarHBondContact N-O 3.09Å; F90-I121 HydrophobicContact CD1-CG1 4.2Å; F90-I121 HydrophobicContact CE1-CB 4.47Å; F90-I121 HydrophobicContact CE1-CD1 4.31Å; F90-I121 HydrophobicContact CE1-CG1 3.37Å; F90-I121 HydrophobicContact CE2-CG1 4.36Å; F90-I121 HydrophobicContact CZ-CD1 4.01Å; F90-I121 HydrophobicContact CZ-CG1 3.48Å; F90-I121 VanDerWaalsContact CZ-CG1 3.48Å; F90-Q122 PolarHBondContact O-N 3.35Å; F90-Q122 VanDerWaalsContact O-N 3.14Å
91L98.9Very high98.5Very high0 Ų019.8 Ų19.80%010%0.099CC..EExtended strand (participates in β ladder)trans-112.7105.6168.8-55.8-175.9000109.1D56 T57 T93 Q122 G123 C342 I344D56-L91 PolarHBondContact O-N 3.13Å; T57-L91 HydrophobicContact CG2-CD1 4.01Å; T57-L91 HydrophobicContact CG2-CG 4.2Å; L91-T93 PolarHBondContact O-N 3Å; L91-T93 PolarHBondContact O-OG1 3Å; L91-Q122 HydrophobicContact CD2-CB 4.3Å; L91-G123 WeakPolarHBondContact CD2-O 3.46Å; L91-C342 HydrophobicContact CD1-CB 4.26Å; L91-I344 HydrophobicContact CD2-CD1 4.34Å
92P98.9Very high98.5Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans-50.8124.3166.5-2230.1000109.8V67 F90 I109 I121 G123 I124 Y125V67-P92 HydrophobicContact CG1-CB 4.28Å; V67-P92 HydrophobicContact CG2-CB 3.67Å; F90-P92 HydrophobicContact CD2-CG 4.12Å; F90-P92 HydrophobicContact CE2-CB 4.28Å; F90-P92 HydrophobicContact CE2-CG 3.56Å; F90-P92 HydrophobicContact CZ-CG 4.01Å; P92-I109 HydrophobicContact CB-CD1 3.91Å; P92-I109 HydrophobicContact CG-CD1 4.48Å; P92-I121 HydrophobicContact CG-CD1 3.94Å; P92-I121 HydrophobicContact CG-CG1 3.92Å; P92-I121 HydrophobicContact CG-CG2 4.03Å; P92-G123 VanDerWaalsContact CD-O 3.29Å; P92-G123 WeakPolarHBondContact CD-O 3.39Å; P92-I124 WeakPolarHBondContact O-CG2 3.24Å; P92-Y125 PolarHBondContact O-N 3.31Å; P92-Y125 VanDerWaalsContact O-N 3.11Å
93T98.9Very high98.5Very high0 Ų022.4 Ų22.40%011%0.107CC..EExtended strand (participates in β ladder)trans-111.2124.3-171.3-53.50000111.8I59 H60 L91 Y125 E127I59-T93 PolarHBondContact N-OG1 2.74Å; I59-T93 WeakPolarHBondContact O-CB 3.25Å; I59-T93 PolarHBondContact O-N 3.27Å; I59-T93 PolarHBondContact O-OG1 2.78Å; H60-T93 VanDerWaalsContact CE1-CG2 3.4Å; H60-T93 WeakPolarHBondContact CE1-CG2 3.43Å; H60-T93 PolarHBondContact ND1-O 3.23Å; L91-T93 PolarHBondContact O-N 3Å; L91-T93 PolarHBondContact O-OG1 3Å; T93-Y125 CarbonylContact C-O 3.53Å; T93-Y125 VanDerWaalsContact CA-O 3.25Å; T93-Y125 WeakPolarHBondContact CA-O 2.96Å; T93-Y125 HydrophobicContact CG2-CD1 3.22Å; T93-Y125 HydrophobicContact CG2-CE1 3.62Å; T93-Y125 HydrophobicContact CG2-CG 3.81Å; T93-Y125 WeakPolarHBondContact OG1-CD1 3.46Å; T93-E127 HydrophobicContact CG2-CB 3.77Å
94T98.7Very high98.5Very high0 Ų025.8 Ų25.80%013%0.125CC..EExtended strand (participates in β ladder)trans-81.2154.7175.868.80000111.1H60 V67 M68 L102 V105 Y125 F126 E127H60-T94 PolarHBondContact CE1-O 3.11Å; V67-T94 HydrophobicContact CG1-CG2 4.24Å; M68-T94 HydrophobicContact SD-CG2 4.26Å; T94-L102 HydrophobicContact CG2-CD2 4.05Å; T94-V105 HydrophobicContact CG2-CG1 3.94Å; T94-Y125 PolarHBondContact N-O 3.23Å; T94-F126 HydrophobicContact CG2-CD2 3.71Å; T94-F126 HydrophobicContact CG2-CE2 3.6Å; T94-F126 HydrophobicContact CG2-CZ 4.41Å; T94-F126 WeakPolarHBondContact OG1-CA 3.4Å; T94-E127 VanDerWaalsContact O-CB 3.29Å; T94-E127 WeakPolarHBondContact O-CB 3.45Å; T94-E127 PolarHBondContact O-N 3.26Å
95L98Very high98.5Very high9 Ų924.8 Ų24.85%0.04712%0.119CC..PPolyproline II helixtrans-89.2173.9160.8-68.1164.6000110.6M68 S97 L102 L286M68-L95 HydrophobicContact CG-CB 4Å; M68-L95 HydrophobicContact CG-CD1 4.12Å; M68-L95 HydrophobicContact CG-CG 4.2Å; M68-L95 HydrophobicContact SD-CB 4.36Å; M68-L95 PolarHBondContact SD-N 3.11Å; M68-L95 VanDerWaalsContact SD-N 3.35Å; L95-S97 PolarHBondContact O-N 2.81Å; L95-L102 WeakPolarHBondContact O-CD2 3.47Å; L95-L286 HydrophobicContact CD1-CD1 3.68Å; L95-L286 HydrophobicContact CD1-CG 3.81Å; L95-L286 HydrophobicContact CD2-CD1 4.12Å; L95-L286 HydrophobicContact CD2-CD2 4.48Å; L95-L286 HydrophobicContact CD2-CG 4.21Å; L95-L286 HydrophobicContact CG-CD1 4.3Å
96T97.6Very high98.5Very high7 Ų724.7 Ų24.74%0.04312%0.118CC..SBendtrans-58128.716554.20000111.5P129 F131 Q139 N140 Y143 F144T96-P129 HydrophobicContact CG2-CB 4.03Å; T96-F131 HydrophobicContact CG2-CD2 3.59Å; T96-F131 HydrophobicContact CG2-CE2 3.86Å; T96-Q139 HydrophobicContact CG2-CB 4.09Å; T96-Q139 HydrophobicContact CG2-CG 4.29Å; T96-Q139 VanDerWaalsContact CG2-OE1 3.28Å; T96-Q139 PolarHBondContact OG1-OE1 2.67Å; T96-N140 PolarHBondContact OG1-N 3.09Å; T96-Y143 WeakPolarHBondContact O-CD2 3.38Å; T96-F144 HydrophobicContact CG2-CD1 3.94Å; T96-F144 HydrophobicContact CG2-CE1 3.5Å
97S97.6Very high98.5Very high12 Ų1228.6 Ų28.68%0.08414%0.136CC..  trans-155.3177.9178.5-159.20000111.4M68 L95 R101 Y143M68-S97 VanDerWaalsContact CE-CB 3.45Å; L95-S97 PolarHBondContact O-N 2.81Å; S97-R101 WeakPolarHBondContact OG-CB 3.11Å; S97-R101 WeakPolarHBondContact OG-CG 3.31Å; S97-Y143 VanDerWaalsContact C-CD1 3.43Å; S97-Y143 VanDerWaalsContact CA-CD2 3.41Å; S97-Y143 VanDerWaalsContact CA-CG 3.49Å
98S97.2Very high98.5Very high37 Ų3730 Ų3026%0.25915%0.145SC..  trans-57.6152.8172.164.20000111.6E100 R101 L102 Y143S98-E100 PolarHBondContact O-N 2.95Å; S98-R101 PolarHBondContact O-N 2.75Å; S98-R101 VanDerWaalsContact O-N 3.17Å; S98-R101 WeakPolarHBondContact OG-CB 3.35Å; S98-R101 PolarHBondContact OG-N 3.31Å; S98-R101 VanDerWaalsContact OG-N 3.15Å; S98-L102 PolarHBondContact O-N 3.41Å; S98-Y143 VanDerWaalsContact N-CD1 3.3Å
99K97.6Very high98.5Very high103 Ų10330 Ų3045%0.44815%0.145SC..Hα-helixtrans-56.2-40.9178.5-63.8-174.6175.6-165.50111.3K103 D148 T151 W155K99-K103 WeakPolarHBondContact O-CB 3.04Å; K99-K103 PolarHBondContact O-N 3.04Å; K99-D148 IonicContact NZ-OD2 3.17Å; K99-D148 PolarHBondContact NZ-OD2 3.2Å; K99-D148 VanDerWaalsContact NZ-OD2 3.17Å; K99-T151 HydrophobicContact CB-CG2 4.36Å; K99-T151 HydrophobicContact CD-CG2 3.72Å; K99-T151 WeakPolarHBondContact CE-OG1 3.23Å; K99-T151 HydrophobicContact CG-CG2 3.88Å; K99-T151 PolarHBondContact NZ-OG1 3.28Å; K99-W155 HydrophobicContact CB-CZ2 4.36Å; K99-W155 HydrophobicContact CG-CZ2 4.23Å; K99-W155 PolarHBondContact O-NE1 3.47Å
100E98.3Very high98.5Very high127 Ų12730.8 Ų30.859%0.59315%0.153SC*.Hα-helixtrans-65.8-46.8179.2-62.272.3-160.500111S98 L102 K103 D104S98-E100 PolarHBondContact O-N 2.95Å; E100-L102 PolarHBondContact O-N 2.89Å; E100-K103 WeakPolarHBondContact O-CB 3.49Å; E100-K103 PolarHBondContact O-N 3.13Å; E100-D104 VanDerWaalsContact O-CG 3.24Å; E100-D104 PolarHBondContact O-N 3.36Å
101R98.3Very high98.5Very high76 Ų7637.1 Ų37.129%0.28718%0.18SC..Hα-helixtrans-64.5-42.8179.2-176.755.7169.6-176.5-2.6112.5M68 D69 N70 S97 S98 K103 D104 V105M68-R101 HydrophobicContact CE-CG 3.96Å; M68-R101 PolarHBondContact O-NE 3.33Å; M68-R101 PolarHBondContact O-NH2 2.99Å; D69-R101 PolarHBondContact O-NH2 3.1Å; N70-R101 VanDerWaalsContact CB-NH1 3.25Å; N70-R101 VanDerWaalsContact CB-NH2 3.29Å; S97-R101 WeakPolarHBondContact OG-CB 3.11Å; S97-R101 WeakPolarHBondContact OG-CG 3.31Å; S98-R101 PolarHBondContact O-N 2.75Å; S98-R101 VanDerWaalsContact O-N 3.17Å; S98-R101 WeakPolarHBondContact OG-CB 3.35Å; S98-R101 PolarHBondContact OG-N 3.31Å; S98-R101 VanDerWaalsContact OG-N 3.15Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-K103 PolarHBondContact O-N 2.97Å; R101-D104 PolarHBondContact O-N 3.36Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.83Å
102L98.7Very high98.4Very high0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-62.2-39.9175.9-71.6177.5000111.5M68 T94 L95 S98 E100 V105 A106 F126 P129 W155M68-L102 HydrophobicContact CE-CD2 4.47Å; T94-L102 HydrophobicContact CG2-CD2 4.05Å; L95-L102 WeakPolarHBondContact O-CD2 3.47Å; S98-L102 PolarHBondContact O-N 3.41Å; E100-L102 PolarHBondContact O-N 2.89Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-A106 VanDerWaalsContact O-CB 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.19Å; L102-A106 PolarHBondContact O-N 3.37Å; L102-F126 HydrophobicContact CB-CE1 3.97Å; L102-F126 HydrophobicContact CB-CZ 4.18Å; L102-F126 HydrophobicContact CD1-CE1 4.45Å; L102-F126 HydrophobicContact CD2-CE1 4.48Å; L102-P129 HydrophobicContact CD1-CG 4.07Å; L102-W155 HydrophobicContact CB-CZ2 4.19Å; L102-W155 HydrophobicContact CD1-CH2 3.91Å; L102-W155 HydrophobicContact CD1-CZ2 3.63Å
103K98.8Very high98.4Very high73 Ų7340.3 Ų40.332%0.31719%0.193SC..Hα-helixtrans-61.8-46.4174.5-169.2176.7-174.5164.90111.8K99 E100 R101 A106 E107 E154 A158K99-K103 WeakPolarHBondContact O-CB 3.04Å; K99-K103 PolarHBondContact O-N 3.04Å; E100-K103 WeakPolarHBondContact O-CB 3.49Å; E100-K103 PolarHBondContact O-N 3.13Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-K103 PolarHBondContact O-N 2.97Å; K103-A106 PolarHBondContact O-N 3.39Å; K103-E107 WeakPolarHBondContact O-CB 3.46Å; K103-E107 PolarHBondContact O-N 3.04Å; K103-E154 IonicContact NZ-OE2 2.96Å; K103-E154 PolarHBondContact NZ-OE2 2.84Å; K103-A158 HydrophobicContact CG-CB 3.7Å
104D98.8Very high98.4Very high73 Ų7348 Ų4839%0.3923%0.227SC..Hα-helixtrans-63.2-43179.6-67.4-16.9000111.7N70 E100 R101 E107 T108N70-D104 PolarHBondContact OD1-O 2.86Å; E100-D104 VanDerWaalsContact O-CG 3.24Å; E100-D104 PolarHBondContact O-N 3.36Å; R101-D104 PolarHBondContact O-N 3.36Å; D104-E107 PolarHBondContact O-N 3.43Å; D104-T108 PolarHBondContact O-N 3.5Å; D104-T108 PolarHBondContact O-OG1 2.83Å; D104-T108 VanDerWaalsContact O-OG1 3.13Å
105V98.8Very high98.4Very high0 Ų053 Ų530%025%0.25CS..Hα-helixtrans-63.5-46.7176.2172.10000110.9V67 N70 T94 R101 L102 E107 T108 I109V67-V105 HydrophobicContact CG1-CG1 3.8Å; N70-V105 HydrophobicContact CB-CG2 3.79Å; N70-V105 WeakPolarHBondContact OD1-CA 3.31Å; T94-V105 HydrophobicContact CG2-CG1 3.94Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.83Å; L102-V105 PolarHBondContact O-N 2.93Å; V105-E107 VanDerWaalsContact C-N 3.32Å; V105-E107 PolarHBondContact O-N 2.86Å; V105-T108 PolarHBondContact O-N 3.18Å; V105-I109 HydrophobicContact CG1-CD1 3.8Å; V105-I109 WeakPolarHBondContact O-CG1 3.29Å; V105-I109 PolarHBondContact O-N 3.11Å
106A98.9Very high98.4Very high0 Ų053.5 Ų53.50%025%0.254CS..Hα-helixtrans-57.8-44.3174.800000112.1L102 K103 G110 F126 S159L102-A106 VanDerWaalsContact O-CB 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.19Å; L102-A106 PolarHBondContact O-N 3.37Å; K103-A106 PolarHBondContact O-N 3.39Å; A106-G110 PolarHBondContact O-N 3.45Å; A106-F126 HydrophobicContact CB-CE2 4.3Å; A106-F126 HydrophobicContact CB-CZ 3.88Å; A106-S159 WeakPolarHBondContact O-CA 3.34Å
107E98.9Very high98.4Very high81 Ų8158.8 Ų58.838%0.37928%0.282SS..Hα-helixtrans-64.8-44.9179.9-160.6-165.9-156.600112.1K103 D104 V105 G110 K111 A158K103-E107 WeakPolarHBondContact O-CB 3.46Å; K103-E107 PolarHBondContact O-N 3.04Å; D104-E107 PolarHBondContact O-N 3.43Å; V105-E107 VanDerWaalsContact C-N 3.32Å; V105-E107 PolarHBondContact O-N 2.86Å; E107-G110 PolarHBondContact O-N 3.35Å; E107-K111 HydrophobicContact CG-CD 4.3Å; E107-K111 WeakPolarHBondContact O-CG 3.46Å; E107-K111 PolarHBondContact O-N 2.85Å; E107-K111 WeakPolarHBondContact OE1-CE 3.29Å; E107-K111 IonicContact OE1-NZ 2.67Å; E107-K111 PolarHBondContact OE1-NZ 3.29Å; E107-K111 IonicContact OE2-NZ 3.73Å; E107-K111 PolarHBondContact OE2-NZ 3.07Å; E107-A158 WeakPolarHBondContact CA-O 3.49Å; E107-A158 HydrophobicContact CB-CB 4.22Å
108T98.9Very high98.4Very high30 Ų3058.3 Ų58.318%0.18428%0.278CS..Hα-helixtrans-58.6-53.8176.8-65.50000110.5N70 A72 D104 V105 G110 K111 M112N70-T108 WeakPolarHBondContact OD1-CB 3.42Å; N70-T108 PolarHBondContact OD1-OG1 3.15Å; A72-T108 HydrophobicContact CB-CG2 4.04Å; D104-T108 PolarHBondContact O-N 3.5Å; D104-T108 PolarHBondContact O-OG1 2.83Å; D104-T108 VanDerWaalsContact O-OG1 3.13Å; V105-T108 PolarHBondContact O-N 3.18Å; T108-G110 VanDerWaalsContact C-N 3.31Å; T108-G110 PolarHBondContact O-N 3.45Å; T108-K111 PolarHBondContact O-N 3.26Å; T108-M112 HydrophobicContact CG2-CG 4.43Å; T108-M112 WeakPolarHBondContact O-CG 3.3Å; T108-M112 PolarHBondContact O-N 3.21Å
109I98.9Very high98.5Very high0 Ų056.5 Ų56.50%027%0.266CS..Hα-helixtrans-60.4-44.4179.6-63.1167.1000110.1V67 I75 P92 V105 K111 M112 Y113 I121 I124V67-I109 HydrophobicContact CG1-CD1 4.1Å; I75-I109 HydrophobicContact CD1-CD1 4.13Å; I75-I109 HydrophobicContact CD1-CG1 3.61Å; P92-I109 HydrophobicContact CB-CD1 3.91Å; P92-I109 HydrophobicContact CG-CD1 4.48Å; V105-I109 HydrophobicContact CG1-CD1 3.8Å; V105-I109 WeakPolarHBondContact O-CG1 3.29Å; V105-I109 PolarHBondContact O-N 3.11Å; I109-K111 PolarHBondContact O-N 3.06Å; I109-M112 PolarHBondContact O-N 3.27Å; I109-M112 VanDerWaalsContact O-N 3.12Å; I109-Y113 VanDerWaalsContact O-CB 3.31Å; I109-Y113 WeakPolarHBondContact O-CB 3.29Å; I109-Y113 PolarHBondContact O-N 3.12Å; I109-I121 HydrophobicContact CG2-CD1 4.49Å; I109-I121 HydrophobicContact CG2-CG2 4.25Å; I109-I124 HydrophobicContact CB-CD1 3.79Å; I109-I124 HydrophobicContact CB-CG1 4.35Å; I109-I124 HydrophobicContact CD1-CD1 4.27Å; I109-I124 HydrophobicContact CD1-CG1 4.46Å; I109-I124 HydrophobicContact CD1-CG2 4.37Å; I109-I124 HydrophobicContact CG2-CD1 3.71Å; I109-I124 HydrophobicContact CG2-CG1 3.77Å
110G98.7Very high98.6Very high17 Ų1753.3 Ų53.318%0.17525%0.252CS..Hα-helixtrans-56.6-35.3179.300000113.8A106 E107 T108 Y113 S159A106-G110 PolarHBondContact O-N 3.45Å; E107-G110 PolarHBondContact O-N 3.35Å; T108-G110 VanDerWaalsContact C-N 3.31Å; T108-G110 PolarHBondContact O-N 3.45Å; G110-Y113 WeakPolarHBondContact O-CD1 3.5Å; G110-S159 WeakPolarHBondContact CA-O 3.49Å
111K98.7Very high98.6Very high134 Ų13447.6 Ų47.658%0.58323%0.225SC*.Hα-helixtrans-77.5-39.7176.3-71.3169.1-177.8165.10112.8E107 T108 I109E107-K111 HydrophobicContact CG-CD 4.3Å; E107-K111 WeakPolarHBondContact O-CG 3.46Å; E107-K111 PolarHBondContact O-N 2.85Å; E107-K111 WeakPolarHBondContact OE1-CE 3.29Å; E107-K111 IonicContact OE1-NZ 2.67Å; E107-K111 PolarHBondContact OE1-NZ 3.29Å; E107-K111 IonicContact OE2-NZ 3.73Å; E107-K111 PolarHBondContact OE2-NZ 3.07Å; T108-K111 PolarHBondContact O-N 3.26Å; I109-K111 PolarHBondContact O-N 3.06Å
112M98.2Very high98.6Very high5 Ų545 Ų453%0.02522%0.217CC..Hα-helixtrans-101.7-8.1-167.871.275.558.300115.5A72 I75 K76 T108 I109 K114 E115 V116 I121A72-M112 HydrophobicContact CB-CB 4.34Å; A72-M112 HydrophobicContact CB-CE 4.36Å; A72-M112 HydrophobicContact CB-CG 4.04Å; A72-M112 WeakPolarHBondContact O-CE 3.42Å; I75-M112 HydrophobicContact CB-CE 4.22Å; I75-M112 HydrophobicContact CB-SD 4.35Å; I75-M112 HydrophobicContact CG2-CE 4.06Å; I75-M112 HydrophobicContact CG2-SD 3.87Å; K76-M112 HydrophobicContact CD-CE 4.21Å; K76-M112 HydrophobicContact CG-CE 3.52Å; T108-M112 HydrophobicContact CG2-CG 4.43Å; T108-M112 WeakPolarHBondContact O-CG 3.3Å; T108-M112 PolarHBondContact O-N 3.21Å; I109-M112 PolarHBondContact O-N 3.27Å; I109-M112 VanDerWaalsContact O-N 3.12Å; M112-K114 PolarHBondContact O-N 3.39Å; M112-E115 WeakPolarHBondContact O-CA 3.26Å; M112-E115 VanDerWaalsContact O-CB 3.3Å; M112-E115 WeakPolarHBondContact O-CB 3.47Å; M112-E115 PolarHBondContact O-N 2.83Å; M112-V116 HydrophobicContact CE-CG1 3.68Å; M112-V116 HydrophobicContact SD-CG1 4.27Å; M112-I121 HydrophobicContact SD-CD1 4.18Å
113Y98.6Very high98.6Very high62 Ų6245 Ų4524%0.24322%0.217CC..THydrogen-bonded Turntrans-58.2-21.9-168.880.8-71.6000115.7I109 G110 V116 L162I109-Y113 VanDerWaalsContact O-CB 3.31Å; I109-Y113 WeakPolarHBondContact O-CB 3.29Å; I109-Y113 PolarHBondContact O-N 3.12Å; G110-Y113 WeakPolarHBondContact O-CD1 3.5Å; Y113-V116 WeakPolarHBondContact O-CG2 3.45Å; Y113-L162 HydrophobicContact CD1-CD1 3.49Å; Y113-L162 VanDerWaalsContact CD1-CD1 3.49Å; Y113-L162 HydrophobicContact CD2-CD1 4.14Å; Y113-L162 HydrophobicContact CD2-CD2 4.11Å; Y113-L162 HydrophobicContact CE1-CD1 3.68Å; Y113-L162 HydrophobicContact CE2-CD1 4.28Å; Y113-L162 HydrophobicContact CE2-CD2 4.05Å; Y113-L162 HydrophobicContact CG-CD1 3.73Å; Y113-L162 HydrophobicContact CG-CD2 4.47Å
114K98.5Very high98.6Very high162 Ų16241.6 Ų41.670%0.70420%0.201SC*.THydrogen-bonded Turntrans-91.2-5.7176.2-79.3170.4166.71560114.1M112M112-K114 PolarHBondContact O-N 3.39Å
115E98.4Very high98.6Very high106 Ų10638.1 Ų38.150%0.49518%0.183SC..SBendtrans-95.86.6179.4-53.3-178.6-175.600112.3K76 M112K76-E115 WeakPolarHBondContact CE-O 3.36Å; K76-E115 IonicContact NZ-OE2 2.73Å; K76-E115 PolarHBondContact NZ-OE2 2.95Å; M112-E115 WeakPolarHBondContact O-CA 3.26Å; M112-E115 VanDerWaalsContact O-CB 3.3Å; M112-E115 WeakPolarHBondContact O-CB 3.47Å; M112-E115 PolarHBondContact O-N 2.83Å
116V98.4Very high98.6Very high19 Ų1938.1 Ų38.112%0.11518%0.183CC..  trans-83.5135.2174.3-58.10000109.8K76 S79 M112 Y113 I121K76-V116 HydrophobicContact CG-CG1 4.28Å; S79-V116 WeakPolarHBondContact OG-CB 3.47Å; M112-V116 HydrophobicContact CE-CG1 3.68Å; M112-V116 HydrophobicContact SD-CG1 4.27Å; Y113-V116 WeakPolarHBondContact O-CG2 3.45Å; V116-I121 HydrophobicContact CG1-CD1 3.78Å; V116-I121 HydrophobicContact CG1-CG1 4.45Å; V116-I121 HydrophobicContact CG2-CG1 4.46Å
117D97.1Very high98.6Very high118 Ų11838.3 Ų38.363%0.63118%0.184SC*.SBendtrans-96.1-15-179.5-71-49.3000112.2E80 R378E80-D117 WeakPolarHBondContact OE1-CA 3.3Å; E80-D117 WeakPolarHBondContact OE1-CB 3.27Å; D117-R378 PolarHBondContact O-NH1 2.98Å; D117-R378 PolarHBondContact O-NH2 3.22Å
118G98.8Very high98.5Very high1 Ų134.4 Ų34.41%0.0117%0.166CC..SBendtrans-99-137.9-177.900000113.3S79 E80 K120 L373S79-G118 WeakPolarHBondContact OG-CA 3.28Å; S79-G118 PolarHBondContact OG-N 2.97Å; E80-G118 PolarHBondContact OE1-N 2.81Å; E80-G118 VanDerWaalsContact OE1-N 3.08Å; G118-K120 PolarHBondContact O-N 2.88Å; G118-L373 VanDerWaalsContact C-CD1 3.49Å; G118-L373 WeakPolarHBondContact O-CD1 3.39Å
119A98.9Very high98.4Very high0 Ų033.4 Ų33.40%016%0.159CC..SBendtrans-49.3131.2174.100000110.6S79 L82 V87 T88 F90S79-A119 PolarHBondContact O-N 3.48Å; S79-A119 PolarHBondContact OG-N 3.16Å; S79-A119 VanDerWaalsContact OG-N 3.12Å; S79-A119 PolarHBondContact OG-O 2.79Å; L82-A119 HydrophobicContact CB-CB 3.91Å; L82-A119 HydrophobicContact CD1-CB 4.43Å; V87-A119 HydrophobicContact CG1-CB 4.26Å; V87-A119 WeakPolarHBondContact O-CB 3.35Å; T88-A119 CarbonylContact O-C 3.57Å; F90-A119 HydrophobicContact CD1-CB 3.84Å; F90-A119 HydrophobicContact CE1-CB 4.19Å; F90-A119 VanDerWaalsContact CE1-O 3.24Å; F90-A119 WeakPolarHBondContact CE1-O 3.42Å
120K98.9Very high98.4Very high36 Ų3633.7 Ų33.716%0.15716%0.161CC..EExtended strand (participates in β ladder)trans-77.8133.1-172.3-62.9171.2179.7168.10110.6T88 S89 F90 G118 Q122 D356 D358 D374T88-K120 PolarHBondContact O-N 3.22Å; S89-K120 CarbonylContact C-O 3.41Å; S89-K120 VanDerWaalsContact CA-O 3.25Å; S89-K120 WeakPolarHBondContact CA-O 3.43Å; F90-K120 PolarHBondContact N-O 3.09Å; G118-K120 PolarHBondContact O-N 2.88Å; K120-Q122 PolarHBondContact O-N 3.1Å; K120-D356 IonicContact NZ-OD2 3.5Å; K120-D356 PolarHBondContact NZ-OD2 2.84Å; K120-D358 WeakPolarHBondContact CE-OD2 3.4Å; K120-D358 VanDerWaalsContact NZ-CG 3.34Å; K120-D358 IonicContact NZ-OD1 3.93Å; K120-D358 PolarHBondContact NZ-OD1 3.39Å; K120-D358 VanDerWaalsContact NZ-OD1 3.14Å; K120-D358 IonicContact NZ-OD2 3.83Å; K120-D358 PolarHBondContact NZ-OD2 3.22Å; K120-D374 IonicContact NZ-OD1 3.41Å; K120-D374 PolarHBondContact NZ-OD1 2.94Å; K120-D374 IonicContact NZ-OD2 3.14Å
121I98.9Very high98.4Very high7 Ų732.9 Ų32.94%0.03615%0.153CC..EExtended strand (participates in β ladder)trans-78.9115.5172.9-66.5171000108.7I75 F90 P92 I109 M112 V116 G123I75-I121 HydrophobicContact CG2-CD1 3.74Å; F90-I121 HydrophobicContact CD1-CG1 4.2Å; F90-I121 HydrophobicContact CE1-CB 4.47Å; F90-I121 HydrophobicContact CE1-CD1 4.31Å; F90-I121 HydrophobicContact CE1-CG1 3.37Å; F90-I121 HydrophobicContact CE2-CG1 4.36Å; F90-I121 HydrophobicContact CZ-CD1 4.01Å; F90-I121 HydrophobicContact CZ-CG1 3.48Å; F90-I121 VanDerWaalsContact CZ-CG1 3.48Å; P92-I121 HydrophobicContact CG-CD1 3.94Å; P92-I121 HydrophobicContact CG-CG1 3.92Å; P92-I121 HydrophobicContact CG-CG2 4.03Å; I109-I121 HydrophobicContact CG2-CD1 4.49Å; I109-I121 HydrophobicContact CG2-CG2 4.25Å; M112-I121 HydrophobicContact SD-CD1 4.18Å; V116-I121 HydrophobicContact CG1-CD1 3.78Å; V116-I121 HydrophobicContact CG1-CG1 4.45Å; V116-I121 HydrophobicContact CG2-CG1 4.46Å; I121-G123 WeakPolarHBondContact CG2-O 3.4Å
122Q98.7Very high98.3Very high22 Ų2227.6 Ų27.610%0.10313%0.131CC..  trans-99.3-2.6-177.7-60.8-61.1-7.900114.2S89 F90 L91 K120 I344S89-Q122 PolarHBondContact OG-NE2 2.75Å; F90-Q122 PolarHBondContact O-N 3.35Å; F90-Q122 VanDerWaalsContact O-N 3.14Å; L91-Q122 HydrophobicContact CD2-CB 4.3Å; K120-Q122 PolarHBondContact O-N 3.1Å; Q122-I344 HydrophobicContact CB-CB 4.46Å; Q122-I344 HydrophobicContact CB-CD1 3.86Å; Q122-I344 HydrophobicContact CB-CG2 4.42Å; Q122-I344 HydrophobicContact CG-CD1 4.47Å
123G98.8Very high98.1Very high0 Ų033.8 Ų33.80%016%0.16CC..  trans161.5-169.7-179.200000110.2L91 P92 I121 L162L91-G123 WeakPolarHBondContact CD2-O 3.46Å; P92-G123 VanDerWaalsContact CD-O 3.29Å; P92-G123 WeakPolarHBondContact CD-O 3.39Å; I121-G123 WeakPolarHBondContact CG2-O 3.4Å; G123-L162 CarbonylContact C-O 3.43Å; G123-L162 WeakPolarHBondContact CA-O 3.31Å
124I98.9Very high97.9Very high0 Ų037.5 Ų37.50%018%0.18CC..EExtended strand (participates in β ladder)trans-122.9140.4176.4-49.6174.3000108.2P92 I109 F126 L162 I163 K164 K165P92-I124 WeakPolarHBondContact O-CG2 3.24Å; I109-I124 HydrophobicContact CB-CD1 3.79Å; I109-I124 HydrophobicContact CB-CG1 4.35Å; I109-I124 HydrophobicContact CD1-CD1 4.27Å; I109-I124 HydrophobicContact CD1-CG1 4.46Å; I109-I124 HydrophobicContact CD1-CG2 4.37Å; I109-I124 HydrophobicContact CG2-CD1 3.71Å; I109-I124 HydrophobicContact CG2-CG1 3.77Å; I124-F126 HydrophobicContact CG2-CD2 3.79Å; I124-F126 HydrophobicContact CG2-CE2 3.73Å; I124-L162 HydrophobicContact CD1-CB 4.1Å; I124-L162 HydrophobicContact CG1-CB 4.14Å; I124-L162 PolarHBondContact N-O 3.48Å; I124-I163 HydrophobicContact CB-CG1 4.42Å; I124-K164 PolarHBondContact O-N 3.33Å; I124-K165 PolarHBondContact O-N 3.06Å
125Y98.9Very high97.7Very high0 Ų032 Ų320%016%0.156CC..EExtended strand (participates in β ladder)trans-107.5120.3170174-149.9000109.8T57 H58 P92 T93 T94 E127 K165 A167 V213T57-Y125 WeakPolarHBondContact O-CD1 3.49Å; H58-Y125 HydrophobicContact CB-CD1 4.18Å; H58-Y125 HydrophobicContact CB-CE1 4.12Å; H58-Y125 AromaticContact CD2-CD1 3.99Å; H58-Y125 AromaticContact CD2-CE1 3.58Å; H58-Y125 AromaticContact CE1-CE1 3.64Å; H58-Y125 AromaticContact CG-CD1 3.96Å; H58-Y125 AromaticContact CG-CE1 3.5Å; H58-Y125 AromaticContact ND1-CE1 3.53Å; H58-Y125 AromaticContact NE2-CE1 3.61Å; P92-Y125 PolarHBondContact O-N 3.31Å; P92-Y125 VanDerWaalsContact O-N 3.11Å; T93-Y125 CarbonylContact C-O 3.53Å; T93-Y125 VanDerWaalsContact CA-O 3.25Å; T93-Y125 WeakPolarHBondContact CA-O 2.96Å; T93-Y125 HydrophobicContact CG2-CD1 3.22Å; T93-Y125 HydrophobicContact CG2-CE1 3.62Å; T93-Y125 HydrophobicContact CG2-CG 3.81Å; T93-Y125 WeakPolarHBondContact OG1-CD1 3.46Å; T94-Y125 PolarHBondContact N-O 3.23Å; Y125-E127 HydrophobicContact CE1-CB 4.02Å; Y125-E127 HydrophobicContact CE1-CG 4.39Å; Y125-E127 HydrophobicContact CE2-CB 4.3Å; Y125-E127 WeakPolarHBondContact OH-CG 3.28Å; Y125-K165 WeakPolarHBondContact CA-O 3.38Å; Y125-K165 HydrophobicContact CD1-CD 4.17Å; Y125-K165 HydrophobicContact CD2-CB 3.58Å; Y125-K165 HydrophobicContact CD2-CD 3.53Å; Y125-K165 HydrophobicContact CD2-CG 3.42Å; Y125-K165 VanDerWaalsContact CD2-CG 3.42Å; Y125-K165 WeakPolarHBondContact CD2-O 3.31Å; Y125-K165 HydrophobicContact CE1-CD 4.37Å; Y125-K165 HydrophobicContact CE2-CB 4.34Å; Y125-K165 HydrophobicContact CE2-CD 3.71Å; Y125-K165 HydrophobicContact CE2-CG 3.69Å; Y125-K165 HydrophobicContact CG-CB 4.08Å; Y125-K165 HydrophobicContact CG-CD 3.8Å; Y125-K165 HydrophobicContact CG-CG 4.12Å; Y125-A167 HydrophobicContact CE2-CB 3.89Å; Y125-A167 WeakPolarHBondContact OH-CB 3.4Å; Y125-V213 WeakPolarHBondContact OH-CG2 3.37Å
126F98.8Very high97.5Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-91.399.9170.6-85.2-151.9000109.9T94 L102 A106 I124 G128 W155 I163 K165 I166 A167T94-F126 HydrophobicContact CG2-CD2 3.71Å; T94-F126 HydrophobicContact CG2-CE2 3.6Å; T94-F126 HydrophobicContact CG2-CZ 4.41Å; T94-F126 WeakPolarHBondContact OG1-CA 3.4Å; L102-F126 HydrophobicContact CB-CE1 3.97Å; L102-F126 HydrophobicContact CB-CZ 4.18Å; L102-F126 HydrophobicContact CD1-CE1 4.45Å; L102-F126 HydrophobicContact CD2-CE1 4.48Å; A106-F126 HydrophobicContact CB-CE2 4.3Å; A106-F126 HydrophobicContact CB-CZ 3.88Å; I124-F126 HydrophobicContact CG2-CD2 3.79Å; I124-F126 HydrophobicContact CG2-CE2 3.73Å; F126-G128 VanDerWaalsContact C-N 3.26Å; F126-G128 PolarHBondContact O-N 3.45Å; F126-W155 HydrophobicContact CD1-CD2 4.25Å; F126-W155 AromaticContact CD1-CE3 3.79Å; F126-W155 HydrophobicContact CD1-CE3 3.79Å; F126-W155 HydrophobicContact CD1-CZ3 4.19Å; F126-W155 HydrophobicContact CE1-CB 3.86Å; F126-W155 AromaticContact CE1-CD2 3.61Å; F126-W155 HydrophobicContact CE1-CD2 3.61Å; F126-W155 AromaticContact CE1-CE3 3.63Å; F126-W155 HydrophobicContact CE1-CE3 3.63Å; F126-W155 AromaticContact CE1-CG 3.74Å; F126-W155 HydrophobicContact CE1-CG 3.74Å; F126-W155 HydrophobicContact CE1-CZ3 4.35Å; F126-W155 HydrophobicContact CZ-CB 4.28Å; F126-W155 HydrophobicContact CZ-CG 4.41Å; F126-I163 HydrophobicContact CD1-CD1 4.24Å; F126-I163 HydrophobicContact CD2-CD1 4.41Å; F126-I163 HydrophobicContact CD2-CG1 4.41Å; F126-I163 HydrophobicContact CD2-CG2 4.41Å; F126-I163 HydrophobicContact CE1-CD1 3.86Å; F126-I163 HydrophobicContact CE2-CD1 4.05Å; F126-I163 HydrophobicContact CE2-CG1 4.18Å; F126-I163 HydrophobicContact CG-CG2 4.36Å; F126-I163 HydrophobicContact CZ-CD1 3.78Å; F126-I163 HydrophobicContact CZ-CG1 4.38Å; F126-K165 PolarHBondContact N-O 2.76Å; F126-I166 HydrophobicContact CB-CB 4.24Å; F126-I166 HydrophobicContact CB-CD1 4.2Å; F126-I166 HydrophobicContact CB-CG1 3.87Å; F126-I166 CarbonylContact O-C 3.52Å; F126-I166 VanDerWaalsContact O-CA 3.25Å; F126-I166 WeakPolarHBondContact O-CA 3.31Å; F126-A167 PolarHBondContact O-N 3.28Å
127E98.3Very high97.1Very high4 Ų430.3 Ų30.32%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-79.381171.5-166.8-173.7-149.100109.7H58 H60 T93 T94 Y125 F131 Q139 A167 H193 H214H58-E127 IonicContact CE1-OE1 3.64Å; H58-E127 PolarHBondContact CE1-OE1 3.35Å; H58-E127 IonicContact NE2-OE1 3.36Å; H58-E127 PolarHBondContact NE2-OE1 3.01Å; H58-E127 IonicContact NE2-OE2 2.73Å; H60-E127 IonicContact CE1-OE2 3.91Å; H60-E127 PolarHBondContact CE1-OE2 2.9Å; H60-E127 IonicContact NE2-OE2 3.01Å; H60-E127 PolarHBondContact NE2-OE2 2.85Å; H60-E127 VanDerWaalsContact NE2-OE2 3.09Å; T93-E127 HydrophobicContact CG2-CB 3.77Å; T94-E127 VanDerWaalsContact O-CB 3.29Å; T94-E127 WeakPolarHBondContact O-CB 3.45Å; T94-E127 PolarHBondContact O-N 3.26Å; Y125-E127 HydrophobicContact CE1-CB 4.02Å; Y125-E127 HydrophobicContact CE1-CG 4.39Å; Y125-E127 HydrophobicContact CE2-CB 4.3Å; Y125-E127 WeakPolarHBondContact OH-CG 3.28Å; E127-F131 VanDerWaalsContact C-CZ 3.49Å; E127-F131 HydrophobicContact CG-CE2 3.99Å; E127-F131 HydrophobicContact CG-CZ 3.68Å; E127-F131 WeakPolarHBondContact O-CE2 3.35Å; E127-Q139 PolarHBondContact OE2-NE2 2.77Å; E127-A167 HydrophobicContact CG-CB 4.26Å; E127-H193 IonicContact OE1-CD2 3.24Å; E127-H193 IonicContact OE1-NE2 2.78Å; E127-H193 PolarHBondContact OE1-NE2 3.44Å; E127-H214 IonicContact OE1-CD2 3.09Å; E127-H214 IonicContact OE1-NE2 3.16Å; E127-H214 PolarHBondContact OE1-NE2 3.1Å; E127-H214 VanDerWaalsContact OE1-NE2 3.09Å
128G96.7Very high96.9Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans111.9-161.6-178.300000113.1F126 F131 A167F126-G128 VanDerWaalsContact C-N 3.26Å; F126-G128 PolarHBondContact O-N 3.45Å; G128-F131 VanDerWaalsContact CA-CZ 3.48Å; G128-F131 VanDerWaalsContact N-CZ 3.32Å; G128-A167 WeakPolarHBondContact CA-O 3.47Å; G128-A167 PolarHBondContact N-O 3.16Å
129P97.3Very high96.7Very high8 Ų825.3 Ų25.35%0.05213%0.128CC..EExtended strand (participates in β ladder)cis-90.9128.236.5-35.7000115.2T96 L102 F131 F144 W155T96-P129 HydrophobicContact CG2-CB 4.03Å; L102-P129 HydrophobicContact CD1-CG 4.07Å; P129-F131 VanDerWaalsContact C-N 3.25Å; P129-F131 PolarHBondContact O-N 3.09Å; P129-F144 WeakPolarHBondContact O-CA 3.49Å; P129-W155 HydrophobicContact CG-CH2 3.8Å
130F98.2Very high96.5Very high7 Ų726.3 Ų26.33%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-85.747.7-167.5-47.4-51000114.2G145 P147 W155 I166 L168 A169 F178F130-G145 WeakPolarHBondContact CA-O 3.48Å; F130-P147 HydrophobicContact CD1-CB 4.37Å; F130-P147 HydrophobicContact CD2-CB 3.88Å; F130-P147 HydrophobicContact CE2-CB 4.11Å; F130-P147 HydrophobicContact CG-CB 4.02Å; F130-P147 HydrophobicContact CZ-CB 4.46Å; F130-W155 HydrophobicContact CE1-CH2 4.46Å; F130-W155 HydrophobicContact CE2-CZ3 4.31Å; F130-W155 AromaticContact CZ-CH2 4Å; F130-W155 HydrophobicContact CZ-CH2 4Å; F130-W155 AromaticContact CZ-CZ3 3.85Å; F130-W155 HydrophobicContact CZ-CZ3 3.85Å; F130-I166 HydrophobicContact CD2-CD1 4.3Å; F130-I166 HydrophobicContact CE2-CD1 3.81Å; F130-L168 HydrophobicContact CB-CB 3.76Å; F130-L168 HydrophobicContact CD2-CB 4.36Å; F130-A169 PolarHBondContact O-N 2.97Å; F130-F178 HydrophobicContact CD2-CE1 4.46Å; F130-F178 HydrophobicContact CD2-CZ 4.39Å; F130-F178 HydrophobicContact CE2-CE1 4.16Å; F130-F178 HydrophobicContact CE2-CE2 4.04Å; F130-F178 AromaticContact CE2-CZ 3.66Å; F130-F178 HydrophobicContact CE2-CZ 3.66Å; F130-F178 HydrophobicContact CZ-CE2 4.5Å; F130-F178 HydrophobicContact CZ-CZ 4.49Å
131F98.1Very high96.3Very high0 Ų026.3 Ų26.30%014%0.137CC..  trans-97172.6-176.6-61.5-37.8000114T96 E127 G128 P129 Q139 F144 A167 R172 G192 H193T96-F131 HydrophobicContact CG2-CD2 3.59Å; T96-F131 HydrophobicContact CG2-CE2 3.86Å; E127-F131 VanDerWaalsContact C-CZ 3.49Å; E127-F131 HydrophobicContact CG-CE2 3.99Å; E127-F131 HydrophobicContact CG-CZ 3.68Å; E127-F131 WeakPolarHBondContact O-CE2 3.35Å; G128-F131 VanDerWaalsContact CA-CZ 3.48Å; G128-F131 VanDerWaalsContact N-CZ 3.32Å; P129-F131 VanDerWaalsContact C-N 3.25Å; P129-F131 PolarHBondContact O-N 3.09Å; F131-Q139 HydrophobicContact CD2-CB 4.35Å; F131-Q139 HydrophobicContact CD2-CG 3.94Å; F131-Q139 HydrophobicContact CE2-CG 3.94Å; F131-F144 HydrophobicContact CB-CD1 4.26Å; F131-F144 HydrophobicContact CB-CD2 4.13Å; F131-F144 HydrophobicContact CB-CE1 4Å; F131-F144 HydrophobicContact CB-CE2 3.82Å; F131-F144 HydrophobicContact CB-CG 4.34Å; F131-F144 HydrophobicContact CB-CZ 3.76Å; F131-F144 HydrophobicContact CD2-CE1 4.18Å; F131-F144 HydrophobicContact CD2-CZ 4.33Å; F131-F144 WeakPolarHBondContact O-CD2 3.37Å; F131-A167 HydrophobicContact CE1-CB 3.63Å; F131-A167 HydrophobicContact CZ-CB 3.61Å; F131-R172 PolarHBondContact O-NE 2.95Å; F131-R172 PolarHBondContact O-NH2 3.16Å; F131-G192 WeakPolarHBondContact CD1-O 3.4Å; F131-H193 HydrophobicContact CB-CB 3.75Å; F131-H193 HydrophobicContact CD1-CB 3.53Å; F131-H193 HydrophobicContact CD2-CB 3.78Å; F131-H193 AromaticContact CD2-CD2 3.99Å; F131-H193 AromaticContact CD2-CG 4Å; F131-H193 HydrophobicContact CE1-CB 3.96Å; F131-H193 HydrophobicContact CE2-CB 4.2Å; F131-H193 AromaticContact CE2-CD2 3.57Å; F131-H193 HydrophobicContact CG-CB 3.42Å; F131-H193 VanDerWaalsContact CG-CB 3.42Å; F131-H193 HydrophobicContact CZ-CB 4.26Å; F131-H193 AromaticContact CZ-CD2 3.57Å
132T96.3Very high96.2Very high22 Ų2230.7 Ų30.714%0.13517%0.168CC..  trans-114.1157.9172.7590000112.3F144 A169 E171 R172 H193T132-F144 WeakPolarHBondContact O-CE2 3.36Å; T132-A169 HydrophobicContact CG2-CB 3.91Å; T132-E171 WeakPolarHBondContact CB-OE1 3.39Å; T132-E171 HydrophobicContact CG2-CG 3.73Å; T132-E171 VanDerWaalsContact CG2-OE1 3.24Å; T132-E171 WeakPolarHBondContact CG2-OE1 3.41Å; T132-E171 PolarHBondContact OG1-OE1 3.46Å; T132-R172 HydrophobicContact CG2-CG 4.26Å; T132-H193 PolarHBondContact N-O 3.21Å; T132-H193 VanDerWaalsContact N-O 3.15Å; T132-H193 PolarHBondContact OG1-O 3.28Å
133E94.7Very high96.1Very high136 Ų13632.8 Ų32.864%0.63618%0.176SC*.SBendtrans-72.5-33.4-166.8-67.7-174.6-175.500114.6H135 K136 P141 F144E133-H135 VanDerWaalsContact C-N 3.31Å; E133-H135 PolarHBondContact O-N 3.23Å; E133-K136 WeakPolarHBondContact O-CB 3.31Å; E133-K136 WeakPolarHBondContact O-CG 3.4Å; E133-K136 PolarHBondContact O-N 2.98Å; E133-P141 HydrophobicContact CG-CB 4.01Å; E133-F144 HydrophobicContact CG-CD2 4.39Å
134E94.6Very high96.1Very high139 Ų13934.1 Ų34.165%0.6518%0.181SC*.THydrogen-bonded Turntrans-62.5-37.1-169.6-171.9169.4161.200112.7N195E134-N195 HydrophobicContact CB-CB 4.18Å; E134-N195 VanDerWaalsContact CD-CG 3.43Å; E134-N195 HydrophobicContact CG-CB 4.45Å; E134-N195 PolarHBondContact OE1-ND2 3.22Å; E134-N195 PolarHBondContact OE2-ND2 3.03Å
135H94.6Very high95.9Very high47 Ų4735.3 Ų35.322%0.21819%0.194CC..THydrogen-bonded Turntrans-116.934.5177-63.3-78.1000113E133 G137 H193 S194 N195 G218E133-H135 VanDerWaalsContact C-N 3.31Å; E133-H135 PolarHBondContact O-N 3.23Å; H135-G137 PolarHBondContact O-N 3.22Å; H135-G137 VanDerWaalsContact O-N 3.07Å; H135-H193 PolarHBondContact O-ND1 2.57Å; H135-H193 VanDerWaalsContact O-ND1 3.09Å; H135-S194 PolarHBondContact CD2-O 2.83Å; H135-S194 VanDerWaalsContact CD2-O 3.23Å; H135-N195 PolarHBondContact CD2-OD1 3.28Å; H135-N195 PolarHBondContact NE2-OD1 3.26Å; H135-G218 VanDerWaalsContact CB-C 3.43Å; H135-G218 WeakPolarHBondContact CB-O 3.15Å
136K93.3Very high95.9Very high63 Ų6338.6 Ų38.627%0.27421%0.211SC..  trans-60.8-19.3-174.369.7-177.6-158.268.70115.9E133 A138 Q139 P141 F144 H193E133-K136 WeakPolarHBondContact O-CB 3.31Å; E133-K136 WeakPolarHBondContact O-CG 3.4Å; E133-K136 PolarHBondContact O-N 2.98Å; K136-A138 PolarHBondContact O-N 2.85Å; K136-Q139 PolarHBondContact NZ-O 2.81Å; K136-Q139 WeakPolarHBondContact O-CB 3.43Å; K136-Q139 WeakPolarHBondContact O-CG 3.4Å; K136-Q139 PolarHBondContact O-N 2.9Å; K136-Q139 VanDerWaalsContact O-N 3.08Å; K136-P141 HydrophobicContact CD-CB 4.34Å; K136-P141 HydrophobicContact CD-CG 4.06Å; K136-F144 HydrophobicContact CB-CE2 3.77Å; K136-F144 HydrophobicContact CB-CZ 3.86Å; K136-H193 PolarHBondContact O-ND1 2.87Å
137G90.8Very high95.9Very high27 Ų2739.4 Ų39.428%0.27822%0.217SC..THydrogen-bonded Turntrans53-134-172.900000112.7H135 Q139H135-G137 PolarHBondContact O-N 3.22Å; H135-G137 VanDerWaalsContact O-N 3.07Å; G137-Q139 VanDerWaalsContact C-N 3.28Å; G137-Q139 PolarHBondContact O-N 3.43Å
138A92.4Very high95.9Very high10 Ų1041.8 Ų41.88%0.08323%0.229CC..THydrogen-bonded Turntrans-90.524.417700000113.8K136 L286 F289 L300 A306K136-A138 PolarHBondContact O-N 2.85Å; A138-L286 HydrophobicContact CB-CD2 3.72Å; A138-F289 VanDerWaalsContact O-CD2 3.24Å; A138-F289 WeakPolarHBondContact O-CD2 3.24Å; A138-F289 WeakPolarHBondContact O-CE2 3.46Å; A138-L300 HydrophobicContact CB-CD1 4.3Å; A138-L300 HydrophobicContact CB-CD2 4.34Å; A138-A306 HydrophobicContact CB-CB 3.75Å
139Q94.7Very high96Very high3 Ų343.6 Ų43.61%0.01424%0.239CC..SBendtrans-91.9145.3174.5-61.2-72.51.600111.2T96 E127 F131 K136 G137 P141 F144T96-Q139 HydrophobicContact CG2-CB 4.09Å; T96-Q139 HydrophobicContact CG2-CG 4.29Å; T96-Q139 VanDerWaalsContact CG2-OE1 3.28Å; T96-Q139 PolarHBondContact OG1-OE1 2.67Å; E127-Q139 PolarHBondContact OE2-NE2 2.77Å; F131-Q139 HydrophobicContact CD2-CB 4.35Å; F131-Q139 HydrophobicContact CD2-CG 3.94Å; F131-Q139 HydrophobicContact CE2-CG 3.94Å; K136-Q139 PolarHBondContact NZ-O 2.81Å; K136-Q139 WeakPolarHBondContact O-CB 3.43Å; K136-Q139 WeakPolarHBondContact O-CG 3.4Å; K136-Q139 PolarHBondContact O-N 2.9Å; K136-Q139 VanDerWaalsContact O-N 3.08Å; G137-Q139 VanDerWaalsContact C-N 3.28Å; G137-Q139 PolarHBondContact O-N 3.43Å; Q139-P141 VanDerWaalsContact O-CD 3.27Å; Q139-P141 WeakPolarHBondContact O-CD 3.41Å; Q139-F144 HydrophobicContact CB-CE1 3.78Å; Q139-F144 HydrophobicContact CB-CZ 3.67Å
140N94.7Very high96Very high22 Ų2249 Ų4912%0.11827%0.267CS..  trans-85.6110-179.3-177.6-8.4000110.3T96 S142 Y143 F144 E288 F289T96-N140 PolarHBondContact OG1-N 3.09Å; N140-S142 PolarHBondContact O-N 3.21Å; N140-S142 VanDerWaalsContact OD1-CB 3.23Å; N140-S142 WeakPolarHBondContact OD1-CB 3.43Å; N140-S142 PolarHBondContact OD1-N 3.37Å; N140-S142 PolarHBondContact OD1-OG 3.17Å; N140-Y143 HydrophobicContact CB-CD2 3.8Å; N140-Y143 HydrophobicContact CB-CE2 3.97Å; N140-Y143 WeakPolarHBondContact ND2-CE2 3.44Å; N140-Y143 PolarHBondContact O-N 2.9Å; N140-F144 WeakPolarHBondContact O-CD1 3.44Å; N140-F144 WeakPolarHBondContact O-CE1 3.16Å; N140-E288 PolarHBondContact ND2-OE2 3.29Å; N140-F289 HydrophobicContact CB-CE2 3.81Å; N140-F289 HydrophobicContact CB-CZ 3.81Å
141P95.2Very high96.1Very high36 Ų3649.1 Ų49.123%0.23427%0.268CS..G310 helixtrans-65.3-16.4-175.528.7-35.8000113.6E133 K136 Q139 Y143 F144E133-P141 HydrophobicContact CG-CB 4.01Å; K136-P141 HydrophobicContact CD-CB 4.34Å; K136-P141 HydrophobicContact CD-CG 4.06Å; Q139-P141 VanDerWaalsContact O-CD 3.27Å; Q139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-Y143 PolarHBondContact O-N 2.76Å; P141-Y143 VanDerWaalsContact O-N 3.14Å; P141-F144 HydrophobicContact CB-CD2 3.97Å; P141-F144 HydrophobicContact CB-CE2 3.96Å; P141-F144 HydrophobicContact CB-CG 4.42Å; P141-F144 HydrophobicContact CB-CZ 4.37Å; P141-F144 WeakPolarHBondContact O-CB 3.36Å; P141-F144 PolarHBondContact O-N 3.29Å
142S96.7Very high96.1Very high98 Ų9849.1 Ų49.169%0.68527%0.268SS*.G310 helixtrans-61.6-20.9176.8-49.20000112.9N140N140-S142 PolarHBondContact O-N 3.21Å; N140-S142 VanDerWaalsContact OD1-CB 3.23Å; N140-S142 WeakPolarHBondContact OD1-CB 3.43Å; N140-S142 PolarHBondContact OD1-N 3.37Å; N140-S142 PolarHBondContact OD1-OG 3.17Å
143Y97.1Very high96.2Very high67 Ų6751.4 Ų51.426%0.26328%0.278SS..G310 helixtrans-98.9-2.3178.1-57.1-57.3000113.6T96 S97 S98 N140 P141 E288T96-Y143 WeakPolarHBondContact O-CD2 3.38Å; S97-Y143 VanDerWaalsContact C-CD1 3.43Å; S97-Y143 VanDerWaalsContact CA-CD2 3.41Å; S97-Y143 VanDerWaalsContact CA-CG 3.49Å; S98-Y143 VanDerWaalsContact N-CD1 3.3Å; N140-Y143 HydrophobicContact CB-CD2 3.8Å; N140-Y143 HydrophobicContact CB-CE2 3.97Å; N140-Y143 WeakPolarHBondContact ND2-CE2 3.44Å; N140-Y143 PolarHBondContact O-N 2.9Å; P141-Y143 PolarHBondContact O-N 2.76Å; P141-Y143 VanDerWaalsContact O-N 3.14Å; Y143-E288 PolarHBondContact OH-OE1 2.74Å
144F97.4Very high96.4Very high27 Ų2749.3 Ų49.312%0.11827%0.268CS..  trans-71.8138.6-175.6-65.7-0.3000111.4T96 P129 F131 T132 E133 K136 Q139 N140 P141T96-F144 HydrophobicContact CG2-CD1 3.94Å; T96-F144 HydrophobicContact CG2-CE1 3.5Å; P129-F144 WeakPolarHBondContact O-CA 3.49Å; F131-F144 HydrophobicContact CB-CD1 4.26Å; F131-F144 HydrophobicContact CB-CD2 4.13Å; F131-F144 HydrophobicContact CB-CE1 4Å; F131-F144 HydrophobicContact CB-CE2 3.82Å; F131-F144 HydrophobicContact CB-CG 4.34Å; F131-F144 HydrophobicContact CB-CZ 3.76Å; F131-F144 HydrophobicContact CD2-CE1 4.18Å; F131-F144 HydrophobicContact CD2-CZ 4.33Å; F131-F144 WeakPolarHBondContact O-CD2 3.37Å; T132-F144 WeakPolarHBondContact O-CE2 3.36Å; E133-F144 HydrophobicContact CG-CD2 4.39Å; K136-F144 HydrophobicContact CB-CE2 3.77Å; K136-F144 HydrophobicContact CB-CZ 3.86Å; Q139-F144 HydrophobicContact CB-CE1 3.78Å; Q139-F144 HydrophobicContact CB-CZ 3.67Å; N140-F144 WeakPolarHBondContact O-CD1 3.44Å; N140-F144 WeakPolarHBondContact O-CE1 3.16Å; P141-F144 HydrophobicContact CB-CD2 3.97Å; P141-F144 HydrophobicContact CB-CE2 3.96Å; P141-F144 HydrophobicContact CB-CG 4.42Å; P141-F144 HydrophobicContact CB-CZ 4.37Å; P141-F144 WeakPolarHBondContact O-CB 3.36Å; P141-F144 PolarHBondContact O-N 3.29Å
145G96.1Very high96.6Very high25 Ų2542.9 Ų42.926%0.25824%0.238SC..  trans-151.3170-18000000111.9F130F130-G145 WeakPolarHBondContact CA-O 3.48Å
146D98.5Very high96.8Very high69 Ų6942 Ų4237%0.36923%0.234SC..  trans-71.2146165.4-66.1-29.7000109R172 K173D146-R172 WeakPolarHBondContact OD1-CD 3.23Å; D146-R172 IonicContact OD1-NH1 3.31Å; D146-R172 PolarHBondContact OD1-NH1 3.23Å; D146-K173 HydrophobicContact CB-CB 4.49Å; D146-K173 PolarHBondContact OD1-N 3.19Å
147P98.4Very high97.1Very high18 Ų1846.7 Ų46.712%0.11726%0.257CS..  trans-55.3137.9177.121.3-33.5000112.4F130 K173 V175 F178F130-P147 HydrophobicContact CD1-CB 4.37Å; F130-P147 HydrophobicContact CD2-CB 3.88Å; F130-P147 HydrophobicContact CE2-CB 4.11Å; F130-P147 HydrophobicContact CG-CB 4.02Å; F130-P147 HydrophobicContact CZ-CB 4.46Å; P147-K173 VanDerWaalsContact CD-O 3.25Å; P147-K173 WeakPolarHBondContact CD-O 3.29Å; P147-K173 WeakPolarHBondContact CG-O 3.38Å; P147-V175 HydrophobicContact CG-CG2 3.94Å; P147-F178 HydrophobicContact CB-CB 3.71Å; P147-F178 HydrophobicContact CB-CD1 3.92Å; P147-F178 HydrophobicContact CB-CD2 3.57Å; P147-F178 HydrophobicContact CB-CE1 4.46Å; P147-F178 HydrophobicContact CB-CE2 4.15Å; P147-F178 HydrophobicContact CB-CG 3.45Å; P147-F178 VanDerWaalsContact CB-CG 3.45Å; P147-F178 HydrophobicContact CG-CB 4.09Å; P147-F178 HydrophobicContact CG-CG 4.34Å
148D97.9Very high97.4Very high54 Ų5446.4 Ų46.429%0.28925%0.252SS..  trans-134.9114.2-174.8-179.327.1000110.3K99 T151 F152K99-D148 IonicContact NZ-OD2 3.17Å; K99-D148 PolarHBondContact NZ-OD2 3.2Å; K99-D148 VanDerWaalsContact NZ-OD2 3.17Å; D148-T151 PolarHBondContact O-N 3.16Å; D148-T151 WeakPolarHBondContact OD2-CB 3.39Å; D148-T151 PolarHBondContact OD2-OG1 2.88Å; D148-F152 PolarHBondContact O-N 3.45Å
149L98.6Very high97.7Very high37 Ų3746 Ų4619%0.19425%0.248CC..Hα-helixtrans-67.1-41.7-174.3-77.4172.1000112.2T151 F152 H153 E177 F178 T181 V182L149-T151 VanDerWaalsContact C-N 3.3Å; L149-T151 PolarHBondContact O-N 3.22Å; L149-F152 PolarHBondContact O-N 3.37Å; L149-F152 VanDerWaalsContact O-N 3.15Å; L149-H153 PolarHBondContact O-N 3.37Å; L149-E177 HydrophobicContact CD1-CG 4.5Å; L149-F178 HydrophobicContact CD2-CD2 3.58Å; L149-F178 HydrophobicContact CD2-CE2 3.99Å; L149-F178 HydrophobicContact CD2-CG 4.29Å; L149-F178 HydrophobicContact CG-CD2 3.91Å; L149-T181 HydrophobicContact CD1-CG2 4.15Å; L149-T181 HydrophobicContact CD2-CG2 3.74Å; L149-V182 HydrophobicContact CD2-CG1 3.96Å
150D98.6Very high97.9Very high122 Ų12249.1 Ų49.165%0.65228%0.281SS*.Hα-helixtrans-60.4-45179.8-70.6-20.1000110.2F152 H153 E154D150-F152 PolarHBondContact O-N 2.9Å; D150-H153 PolarHBondContact O-N 2.97Å; D150-E154 PolarHBondContact O-N 3.5Å
151T98.6Very high98.1Very high9 Ų949.8 Ų49.86%0.05529%0.293CS..Hα-helixtrans-62.6-43.6175.5-65.40000112.1K99 D148 L149 H153 E154 W155K99-T151 HydrophobicContact CB-CG2 4.36Å; K99-T151 HydrophobicContact CD-CG2 3.72Å; K99-T151 WeakPolarHBondContact CE-OG1 3.23Å; K99-T151 HydrophobicContact CG-CG2 3.88Å; K99-T151 PolarHBondContact NZ-OG1 3.28Å; D148-T151 PolarHBondContact O-N 3.16Å; D148-T151 WeakPolarHBondContact OD2-CB 3.39Å; D148-T151 PolarHBondContact OD2-OG1 2.88Å; L149-T151 VanDerWaalsContact C-N 3.3Å; L149-T151 PolarHBondContact O-N 3.22Å; T151-H153 VanDerWaalsContact C-N 3.34Å; T151-H153 PolarHBondContact O-N 3.47Å; T151-E154 WeakPolarHBondContact O-CB 3.49Å; T151-E154 PolarHBondContact O-N 3.47Å; T151-W155 HydrophobicContact CG2-CD2 3.95Å; T151-W155 VanDerWaalsContact CG2-CE2 3.41Å; T151-W155 HydrophobicContact CG2-CE3 4.23Å; T151-W155 HydrophobicContact CG2-CH2 3.52Å; T151-W155 HydrophobicContact CG2-CZ2 3.19Å; T151-W155 HydrophobicContact CG2-CZ3 4.04Å; T151-W155 PolarHBondContact O-N 2.7Å; T151-W155 VanDerWaalsContact O-N 3.11Å
152F98.8Very high98.3Very high0 Ų048.8 Ų48.80%029%0.286CS..Hα-helixtrans-62.9-42178.1175.6-99.3000112D148 L149 D150 E154 W155 Q156 I163 I166 F178 V182 V187D148-F152 PolarHBondContact O-N 3.45Å; L149-F152 PolarHBondContact O-N 3.37Å; L149-F152 VanDerWaalsContact O-N 3.15Å; D150-F152 PolarHBondContact O-N 2.9Å; F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.25Å; F152-W155 HydrophobicContact CB-CE3 4.42Å; F152-W155 HydrophobicContact CD2-CE3 4.23Å; F152-W155 PolarHBondContact O-N 3.43Å; F152-Q156 HydrophobicContact CE1-CB 4.38Å; F152-Q156 WeakPolarHBondContact O-CB 3.46Å; F152-Q156 PolarHBondContact O-N 2.82Å; F152-I163 HydrophobicContact CE2-CG2 4.13Å; F152-I166 HydrophobicContact CD2-CD1 3.83Å; F152-I166 HydrophobicContact CE2-CD1 4.07Å; F152-I166 HydrophobicContact CE2-CG2 4.47Å; F152-F178 HydrophobicContact CB-CE2 3.7Å; F152-F178 HydrophobicContact CB-CZ 3.9Å; F152-F178 HydrophobicContact CD2-CZ 4.02Å; F152-F178 HydrophobicContact CG-CE2 4.13Å; F152-F178 AromaticContact CG-CZ 3.89Å; F152-F178 HydrophobicContact CG-CZ 3.89Å; F152-V182 HydrophobicContact CD1-CB 4.43Å; F152-V182 HydrophobicContact CD1-CG1 3.47Å; F152-V182 VanDerWaalsContact CD1-CG1 3.47Å; F152-V182 HydrophobicContact CE1-CB 3.94Å; F152-V182 HydrophobicContact CE1-CG1 3.48Å; F152-V182 VanDerWaalsContact CE1-CG1 3.48Å; F152-V182 HydrophobicContact CG-CG1 4.11Å; F152-V182 HydrophobicContact CZ-CB 4.28Å; F152-V182 HydrophobicContact CZ-CG1 4.11Å; F152-V187 HydrophobicContact CZ-CB 4.28Å; F152-V187 HydrophobicContact CZ-CG1 4.06Å; F152-V187 HydrophobicContact CZ-CG2 3.95Å
153H98.8Very high98.4Very high71 Ų7144.1 Ų44.133%0.32925%0.253SS..Hα-helixtrans-64.1-36176.7-69.2162.5000112.2L149 D150 T151 Q156 E157 E185L149-H153 PolarHBondContact O-N 3.37Å; D150-H153 PolarHBondContact O-N 2.97Å; T151-H153 VanDerWaalsContact C-N 3.34Å; T151-H153 PolarHBondContact O-N 3.47Å; H153-Q156 PolarHBondContact O-N 2.8Å; H153-E157 WeakPolarHBondContact O-CB 3.29Å; H153-E157 PolarHBondContact O-N 3.48Å; H153-E185 IonicContact CD2-OE1 3.11Å; H153-E185 IonicContact CD2-OE2 3.51Å; H153-E185 IonicContact CE1-OE1 2.83Å; H153-E185 IonicContact NE2-OE1 2.89Å; H153-E185 PolarHBondContact NE2-OE1 3.35Å; H153-E185 IonicContact NE2-OE2 2.75Å; H153-E185 PolarHBondContact NE2-OE2 3.06Å; H153-E185 VanDerWaalsContact NE2-OE2 3.11Å
154E98.8Very high98.4Very high92 Ų9243.6 Ų43.643%0.4325%0.252SS..Hα-helixtrans-62.4-42.1171.2-74.4-168-145.200112.9K103 D150 T151 F152 A158K103-E154 IonicContact NZ-OE2 2.96Å; K103-E154 PolarHBondContact NZ-OE2 2.84Å; D150-E154 PolarHBondContact O-N 3.5Å; T151-E154 WeakPolarHBondContact O-CB 3.49Å; T151-E154 PolarHBondContact O-N 3.47Å; F152-E154 VanDerWaalsContact C-N 3.32Å; F152-E154 PolarHBondContact O-N 3.25Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 3.16Å
155W98.8Very high98.5Very high3 Ų342.3 Ų42.31%0.01125%0.246CC..Hα-helixtrans-66-41.5175.5-61.4-32.8000111.6K99 L102 F126 P129 F130 T151 F152 A158 S159 I163 I166K99-W155 HydrophobicContact CB-CZ2 4.36Å; K99-W155 HydrophobicContact CG-CZ2 4.23Å; K99-W155 PolarHBondContact O-NE1 3.47Å; L102-W155 HydrophobicContact CB-CZ2 4.19Å; L102-W155 HydrophobicContact CD1-CH2 3.91Å; L102-W155 HydrophobicContact CD1-CZ2 3.63Å; F126-W155 HydrophobicContact CD1-CD2 4.25Å; F126-W155 AromaticContact CD1-CE3 3.79Å; F126-W155 HydrophobicContact CD1-CE3 3.79Å; F126-W155 HydrophobicContact CD1-CZ3 4.19Å; F126-W155 HydrophobicContact CE1-CB 3.86Å; F126-W155 AromaticContact CE1-CD2 3.61Å; F126-W155 HydrophobicContact CE1-CD2 3.61Å; F126-W155 AromaticContact CE1-CE3 3.63Å; F126-W155 HydrophobicContact CE1-CE3 3.63Å; F126-W155 AromaticContact CE1-CG 3.74Å; F126-W155 HydrophobicContact CE1-CG 3.74Å; F126-W155 HydrophobicContact CE1-CZ3 4.35Å; F126-W155 HydrophobicContact CZ-CB 4.28Å; F126-W155 HydrophobicContact CZ-CG 4.41Å; P129-W155 HydrophobicContact CG-CH2 3.8Å; F130-W155 HydrophobicContact CE1-CH2 4.46Å; F130-W155 HydrophobicContact CE2-CZ3 4.31Å; F130-W155 AromaticContact CZ-CH2 4Å; F130-W155 HydrophobicContact CZ-CH2 4Å; F130-W155 AromaticContact CZ-CZ3 3.85Å; F130-W155 HydrophobicContact CZ-CZ3 3.85Å; T151-W155 HydrophobicContact CG2-CD2 3.95Å; T151-W155 VanDerWaalsContact CG2-CE2 3.41Å; T151-W155 HydrophobicContact CG2-CE3 4.23Å; T151-W155 HydrophobicContact CG2-CH2 3.52Å; T151-W155 HydrophobicContact CG2-CZ2 3.19Å; T151-W155 HydrophobicContact CG2-CZ3 4.04Å; T151-W155 PolarHBondContact O-N 2.7Å; T151-W155 VanDerWaalsContact O-N 3.11Å; F152-W155 HydrophobicContact CB-CE3 4.42Å; F152-W155 HydrophobicContact CD2-CE3 4.23Å; F152-W155 PolarHBondContact O-N 3.43Å; W155-A158 PolarHBondContact O-N 3.36Å; W155-S159 WeakPolarHBondContact O-CB 3.42Å; W155-S159 PolarHBondContact O-N 3.11Å; W155-S159 PolarHBondContact O-OG 3.42Å; W155-I163 HydrophobicContact CB-CD1 3.61Å; W155-I166 HydrophobicContact CZ3-CD1 4.4Å
156Q98.8Very high98.6Very high30 Ų3041.1 Ų41.114%0.1423%0.234CC..Hα-helixtrans-66.5-41.1-179.8-170.566.2-48.300111.2F152 H153 S159 G160 G161 I163F152-Q156 HydrophobicContact CE1-CB 4.38Å; F152-Q156 WeakPolarHBondContact O-CB 3.46Å; F152-Q156 PolarHBondContact O-N 2.82Å; H153-Q156 PolarHBondContact O-N 2.8Å; Q156-S159 PolarHBondContact O-N 2.91Å; Q156-S159 PolarHBondContact O-OG 3.44Å; Q156-S159 PolarHBondContact OE1-OG 3.18Å; Q156-G160 PolarHBondContact O-N 3Å; Q156-G161 PolarHBondContact O-N 3.2Å; Q156-I163 PolarHBondContact NE2-O 2.97Å
157E98.8Very high98.6Very high161 Ų16137.8 Ų37.875%0.75222%0.217SC*.Hα-helixtrans-60.6-49.1171.7-177.1178.6-166.500111.3H153 S159 G160H153-E157 WeakPolarHBondContact O-CB 3.29Å; H153-E157 PolarHBondContact O-N 3.48Å; E157-S159 VanDerWaalsContact C-N 3.29Å; E157-S159 PolarHBondContact O-N 3.17Å; E157-G160 PolarHBondContact O-N 3.09Å
158A98.8Very high98.7Very high21 Ų2137 Ų3717%0.17421%0.211CC..Hα-helixtrans-59.1-40179.700000112.2K103 E107 E154 W155 G160K103-A158 HydrophobicContact CG-CB 3.7Å; E107-A158 WeakPolarHBondContact CA-O 3.49Å; E107-A158 HydrophobicContact CB-CB 4.22Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 3.16Å; W155-A158 PolarHBondContact O-N 3.36Å; A158-G160 PolarHBondContact O-N 3.49Å
159S98.7Very high98.7Very high0 Ų034.4 Ų34.40%020%0.197CC..THydrogen-bonded Turntrans-72.7-9.1176.477.50000114.4A106 G110 W155 Q156 E157 G161 L162 I163A106-S159 WeakPolarHBondContact O-CA 3.34Å; G110-S159 WeakPolarHBondContact CA-O 3.49Å; W155-S159 WeakPolarHBondContact O-CB 3.42Å; W155-S159 PolarHBondContact O-N 3.11Å; W155-S159 PolarHBondContact O-OG 3.42Å; Q156-S159 PolarHBondContact O-N 2.91Å; Q156-S159 PolarHBondContact O-OG 3.44Å; Q156-S159 PolarHBondContact OE1-OG 3.18Å; E157-S159 VanDerWaalsContact C-N 3.29Å; E157-S159 PolarHBondContact O-N 3.17Å; S159-G161 VanDerWaalsContact C-N 3.31Å; S159-G161 PolarHBondContact OG-N 3.08Å; S159-L162 WeakPolarHBondContact O-CB 3.24Å; S159-L162 WeakPolarHBondContact O-CD1 3.42Å; S159-L162 PolarHBondContact OG-N 2.81Å; S159-I163 PolarHBondContact OG-N 2.85Å
160G98.5Very high98.7Very high69 Ų6933.1 Ų33.171%0.71119%0.191SC*.THydrogen-bonded Turntrans68.129.4-170.300000113.5Q156 E157 A158Q156-G160 PolarHBondContact O-N 3Å; E157-G160 PolarHBondContact O-N 3.09Å; A158-G160 PolarHBondContact O-N 3.49Å
161G98.3Very high98.7Very high36 Ų3629.6 Ų29.637%0.37117%0.171SC..SBendtrans80.621.5-17900000114.7Q156 S159Q156-G161 PolarHBondContact O-N 3.2Å; S159-G161 VanDerWaalsContact C-N 3.31Å; S159-G161 PolarHBondContact OG-N 3.08Å
162L98.4Very high98.7Very high16 Ų1632 Ų328%0.08418%0.179CC..  trans-89.1-12.2-176.2-87.3162.1000114.2Y113 G123 I124 S159 K164Y113-L162 HydrophobicContact CD1-CD1 3.49Å; Y113-L162 VanDerWaalsContact CD1-CD1 3.49Å; Y113-L162 HydrophobicContact CD2-CD1 4.14Å; Y113-L162 HydrophobicContact CD2-CD2 4.11Å; Y113-L162 HydrophobicContact CE1-CD1 3.68Å; Y113-L162 HydrophobicContact CE2-CD1 4.28Å; Y113-L162 HydrophobicContact CE2-CD2 4.05Å; Y113-L162 HydrophobicContact CG-CD1 3.73Å; Y113-L162 HydrophobicContact CG-CD2 4.47Å; G123-L162 CarbonylContact C-O 3.43Å; G123-L162 WeakPolarHBondContact CA-O 3.31Å; I124-L162 HydrophobicContact CD1-CB 4.1Å; I124-L162 HydrophobicContact CG1-CB 4.14Å; I124-L162 PolarHBondContact N-O 3.48Å; S159-L162 WeakPolarHBondContact O-CB 3.24Å; S159-L162 WeakPolarHBondContact O-CD1 3.42Å; S159-L162 PolarHBondContact OG-N 2.81Å; L162-K164 PolarHBondContact O-N 3.12Å; L162-K164 VanDerWaalsContact O-N 3.09Å
163I98.8Very high98.6Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-68114.1173.8-53.4169.8000108.1I124 F126 F152 W155 Q156 S159 V187I124-I163 HydrophobicContact CB-CG1 4.42Å; F126-I163 HydrophobicContact CD1-CD1 4.24Å; F126-I163 HydrophobicContact CD2-CD1 4.41Å; F126-I163 HydrophobicContact CD2-CG1 4.41Å; F126-I163 HydrophobicContact CD2-CG2 4.41Å; F126-I163 HydrophobicContact CE1-CD1 3.86Å; F126-I163 HydrophobicContact CE2-CD1 4.05Å; F126-I163 HydrophobicContact CE2-CG1 4.18Å; F126-I163 HydrophobicContact CG-CG2 4.36Å; F126-I163 HydrophobicContact CZ-CD1 3.78Å; F126-I163 HydrophobicContact CZ-CG1 4.38Å; F152-I163 HydrophobicContact CE2-CG2 4.13Å; W155-I163 HydrophobicContact CB-CD1 3.61Å; Q156-I163 PolarHBondContact NE2-O 2.97Å; S159-I163 PolarHBondContact OG-N 2.85Å; I163-V187 WeakPolarHBondContact O-CG2 3.18Å
164K98.6Very high98.6Very high55 Ų5538.3 Ų38.324%0.23922%0.218CC..EExtended strand (participates in β ladder)trans-104.7-24.6-177.7-71.9-61177.8-169.40113I124 L162 V188 I344I124-K164 PolarHBondContact O-N 3.33Å; L162-K164 PolarHBondContact O-N 3.12Å; L162-K164 VanDerWaalsContact O-N 3.09Å; K164-V188 PolarHBondContact O-N 2.68Å; K164-I344 HydrophobicContact CG-CG2 4.38Å
165K98.9Very high98.6Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-140.8142.8-178-170.9-175.9165.7-148.70109.7I124 Y125 F126 V188 S190 E242I124-K165 PolarHBondContact O-N 3.06Å; Y125-K165 WeakPolarHBondContact CA-O 3.38Å; Y125-K165 HydrophobicContact CD1-CD 4.17Å; Y125-K165 HydrophobicContact CD2-CB 3.58Å; Y125-K165 HydrophobicContact CD2-CD 3.53Å; Y125-K165 HydrophobicContact CD2-CG 3.42Å; Y125-K165 VanDerWaalsContact CD2-CG 3.42Å; Y125-K165 WeakPolarHBondContact CD2-O 3.31Å; Y125-K165 HydrophobicContact CE1-CD 4.37Å; Y125-K165 HydrophobicContact CE2-CB 4.34Å; Y125-K165 HydrophobicContact CE2-CD 3.71Å; Y125-K165 HydrophobicContact CE2-CG 3.69Å; Y125-K165 HydrophobicContact CG-CB 4.08Å; Y125-K165 HydrophobicContact CG-CD 3.8Å; Y125-K165 HydrophobicContact CG-CG 4.12Å; F126-K165 PolarHBondContact N-O 2.76Å; K165-V188 CarbonylContact C-O 3.44Å; K165-V188 VanDerWaalsContact CA-O 3.24Å; K165-V188 WeakPolarHBondContact CA-O 3.41Å; K165-V188 HydrophobicContact CB-CB 4.48Å; K165-V188 HydrophobicContact CG-CB 4.34Å; K165-V188 HydrophobicContact CG-CG1 4.3Å; K165-S190 WeakPolarHBondContact CE-OG 3.29Å; K165-E242 IonicContact NZ-OE1 3.37Å; K165-E242 PolarHBondContact NZ-OE1 3.2Å; K165-E242 IonicContact NZ-OE2 3.73Å; K165-E242 PolarHBondContact NZ-OE2 3.19Å
166I98.9Very high98.6Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-137.9144.7169.8-172.6163.7000110.4F126 F130 F152 W155 F178 V187 V188 V189 S190F126-I166 HydrophobicContact CB-CB 4.24Å; F126-I166 HydrophobicContact CB-CD1 4.2Å; F126-I166 HydrophobicContact CB-CG1 3.87Å; F126-I166 CarbonylContact O-C 3.52Å; F126-I166 VanDerWaalsContact O-CA 3.25Å; F126-I166 WeakPolarHBondContact O-CA 3.31Å; F130-I166 HydrophobicContact CD2-CD1 4.3Å; F130-I166 HydrophobicContact CE2-CD1 3.81Å; F152-I166 HydrophobicContact CD2-CD1 3.83Å; F152-I166 HydrophobicContact CE2-CD1 4.07Å; F152-I166 HydrophobicContact CE2-CG2 4.47Å; W155-I166 HydrophobicContact CZ3-CD1 4.4Å; I166-F178 HydrophobicContact CD1-CE1 4.46Å; I166-F178 HydrophobicContact CD1-CZ 4.18Å; I166-F178 HydrophobicContact CG2-CE1 4.27Å; I166-V187 HydrophobicContact CG2-CG1 4.17Å; I166-V188 PolarHBondContact N-O 3.16Å; I166-V189 HydrophobicContact CG2-CG2 4.04Å; I166-V189 WeakPolarHBondContact O-CA 3.5Å; I166-S190 PolarHBondContact O-N 2.86Å; I166-S190 PolarHBondContact O-OG 3.4Å
167A98.8Very high98.6Very high0 Ų045.3 Ų45.30%025%0.25CC..EExtended strand (participates in β ladder)trans-108143.8177.200000112.5Y125 F126 E127 G128 F131 S190 V213Y125-A167 HydrophobicContact CE2-CB 3.89Å; Y125-A167 WeakPolarHBondContact OH-CB 3.4Å; F126-A167 PolarHBondContact O-N 3.28Å; E127-A167 HydrophobicContact CG-CB 4.26Å; G128-A167 WeakPolarHBondContact CA-O 3.47Å; G128-A167 PolarHBondContact N-O 3.16Å; F131-A167 HydrophobicContact CE1-CB 3.63Å; F131-A167 HydrophobicContact CZ-CB 3.61Å; A167-S190 VanDerWaalsContact CA-O 3.29Å; A167-S190 WeakPolarHBondContact CA-O 3.34Å; A167-S190 VanDerWaalsContact CA-OG 3.3Å; A167-S190 WeakPolarHBondContact CA-OG 3.43Å; A167-S190 VanDerWaalsContact CB-OG 3.29Å; A167-S190 WeakPolarHBondContact CB-OG 3.43Å; A167-V213 HydrophobicContact CB-CG2 3.96Å
168L98.8Very high98.6Very high0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-149.2162.9175.259.377.8000111.8F130 V175 F178 V179 V189 S190 L191 G192F130-L168 HydrophobicContact CB-CB 3.76Å; F130-L168 HydrophobicContact CD2-CB 4.36Å; L168-V175 HydrophobicContact CD1-CG1 3.7Å; L168-V175 HydrophobicContact CD1-CG2 4Å; L168-V175 HydrophobicContact CD2-CG1 4.48Å; L168-F178 HydrophobicContact CD2-CD1 3.77Å; L168-F178 HydrophobicContact CD2-CE1 4.11Å; L168-V179 HydrophobicContact CD2-CG2 4.01Å; L168-V189 HydrophobicContact CD1-CG1 4.37Å; L168-V189 HydrophobicContact CD2-CG1 3.8Å; L168-V189 HydrophobicContact CG-CG1 3.8Å; L168-S190 PolarHBondContact N-O 2.8Å; L168-L191 HydrophobicContact CD1-CD2 3.71Å; L168-L191 WeakPolarHBondContact O-CA 3.38Å; L168-G192 PolarHBondContact O-N 3.02Å
169A98.7Very high98.6Very high0 Ų036.8 Ų36.80%021%0.206CC..  trans-90.7120.7170.400000109.5F130 T132 E171 R172F130-A169 PolarHBondContact O-N 2.97Å; T132-A169 HydrophobicContact CG2-CB 3.91Å; A169-E171 WeakPolarHBondContact CB-OE2 3.37Å; A169-E171 PolarHBondContact O-N 3.3Å; A169-R172 HydrophobicContact CB-CG 4.24Å; A169-R172 WeakPolarHBondContact O-CB 3.42Å; A169-R172 WeakPolarHBondContact O-CG 3.41Å; A169-R172 PolarHBondContact O-N 3.45Å; A169-R172 VanDerWaalsContact O-N 3.13Å
170P98.6Very high98.6Very high10 Ų1042 Ų427%0.06523%0.229CC..THydrogen-bonded Turntrans-62.8-22.7-17217.4-28.9000115.5R172 L191 S194 A196 A201 A204 M229P170-R172 PolarHBondContact O-N 3.14Å; P170-L191 HydrophobicContact CB-CD2 4.25Å; P170-L191 HydrophobicContact CG-CB 4.49Å; P170-L191 HydrophobicContact CG-CD1 4.41Å; P170-L191 HydrophobicContact CG-CD2 4.35Å; P170-S194 WeakPolarHBondContact CD-OG 3.13Å; P170-A196 HydrophobicContact CB-CB 4.4Å; P170-A196 HydrophobicContact CG-CB 3.57Å; P170-A201 HydrophobicContact CG-CB 4.43Å; P170-A204 HydrophobicContact CB-CB 3.76Å; P170-M229 HydrophobicContact CG-CE 4.13Å; P170-M229 HydrophobicContact CG-SD 3.87Å
171E98.1Very high98.6Very high49 Ų4940.6 Ų40.623%0.22921%0.206CC..THydrogen-bonded Turntrans-76.8-1.2177.372.4-86.8-148.600114.2T132 A169 S194 N195 A196T132-E171 WeakPolarHBondContact CB-OE1 3.39Å; T132-E171 HydrophobicContact CG2-CG 3.73Å; T132-E171 VanDerWaalsContact CG2-OE1 3.24Å; T132-E171 WeakPolarHBondContact CG2-OE1 3.41Å; T132-E171 PolarHBondContact OG1-OE1 3.46Å; A169-E171 WeakPolarHBondContact CB-OE2 3.37Å; A169-E171 PolarHBondContact O-N 3.3Å; E171-S194 VanDerWaalsContact CD-OG 3.27Å; E171-S194 PolarHBondContact OE1-OG 2.88Å; E171-S194 WeakPolarHBondContact OE2-CB 3.46Å; E171-S194 PolarHBondContact OE2-OG 2.9Å; E171-N195 PolarHBondContact OE1-N 3.29Å; E171-A196 HydrophobicContact CB-CB 4.2Å; E171-A196 WeakPolarHBondContact OE2-CB 3.31Å
172R98.2Very high98.6Very high58 Ų5838.9 Ų38.922%0.21919%0.189CC..SBendtrans-69.9152.4175.8-76-74.7-176.1178.6-0.4111.9F131 T132 D146 A169 P170 V175F131-R172 PolarHBondContact O-NE 2.95Å; F131-R172 PolarHBondContact O-NH2 3.16Å; T132-R172 HydrophobicContact CG2-CG 4.26Å; D146-R172 WeakPolarHBondContact OD1-CD 3.23Å; D146-R172 IonicContact OD1-NH1 3.31Å; D146-R172 PolarHBondContact OD1-NH1 3.23Å; A169-R172 HydrophobicContact CB-CG 4.24Å; A169-R172 WeakPolarHBondContact O-CB 3.42Å; A169-R172 WeakPolarHBondContact O-CG 3.41Å; A169-R172 PolarHBondContact O-N 3.45Å; A169-R172 VanDerWaalsContact O-N 3.13Å; P170-R172 PolarHBondContact O-N 3.14Å; R172-V175 HydrophobicContact CB-CG2 3.55Å; R172-V175 WeakPolarHBondContact O-CG2 3.34Å
173K98.2Very high98.6Very high160 Ų16039 Ų3970%0.69619%0.19SC*.THydrogen-bonded Turntrans-72.5140.4177.4-63.7176.7-176.6169.70110D146 P147 V175D146-K173 HydrophobicContact CB-CB 4.49Å; D146-K173 PolarHBondContact OD1-N 3.19Å; P147-K173 VanDerWaalsContact CD-O 3.25Å; P147-K173 WeakPolarHBondContact CD-O 3.29Å; P147-K173 WeakPolarHBondContact CG-O 3.38Å; K173-V175 VanDerWaalsContact C-N 3.26Å; K173-V175 PolarHBondContact O-N 3.41Å
174G98.1Very high98.6Very high45 Ų4544.7 Ų44.746%0.46422%0.22SC..THydrogen-bonded Turntrans80.3-117800000115.1K176 E177 F178G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.05Å; G174-E177 PolarHBondContact O-N 3.49Å; G174-F178 WeakPolarHBondContact O-CB 3.3Å; G174-F178 PolarHBondContact O-N 2.94Å
175V98.7Very high98.6Very high7 Ų746.4 Ų46.44%0.04223%0.23CC..Hα-helixtrans-52.1-48.3-179.8166.10000112.2P147 L168 R172 K173 E177 F178 V179 A204P147-V175 HydrophobicContact CG-CG2 3.94Å; L168-V175 HydrophobicContact CD1-CG1 3.7Å; L168-V175 HydrophobicContact CD1-CG2 4Å; L168-V175 HydrophobicContact CD2-CG1 4.48Å; R172-V175 HydrophobicContact CB-CG2 3.55Å; R172-V175 WeakPolarHBondContact O-CG2 3.34Å; K173-V175 VanDerWaalsContact C-N 3.26Å; K173-V175 PolarHBondContact O-N 3.41Å; V175-E177 VanDerWaalsContact C-N 3.33Å; V175-E177 PolarHBondContact O-N 3.39Å; V175-F178 PolarHBondContact O-N 2.91Å; V175-V179 HydrophobicContact CG1-CG2 3.64Å; V175-V179 WeakPolarHBondContact O-CB 3.4Å; V175-V179 WeakPolarHBondContact O-CG2 3.46Å; V175-V179 PolarHBondContact O-N 3.31Å; V175-A204 HydrophobicContact CG1-CB 4.01Å
176K98.5Very high98.6Very high127 Ų12748 Ų4855%0.55225%0.246SC*.Hα-helixtrans-56.5-45.4-177.1-178170.1-171.6161.20113.3G174 K180 A207G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.05Å; K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 3.34Å; K176-A207 HydrophobicContact CG-CB 4.05Å
177E98.7Very high98.6Very high138 Ų13848 Ų4865%0.64525%0.246SC*.Hα-helixtrans-70.9-43.5179.2-178173.2-171.200111.1L149 G174 V175 K180 T181L149-E177 HydrophobicContact CD1-CG 4.5Å; G174-E177 PolarHBondContact O-N 3.49Å; V175-E177 VanDerWaalsContact C-N 3.33Å; V175-E177 PolarHBondContact O-N 3.39Å; E177-K180 PolarHBondContact O-N 2.79Å; E177-T181 PolarHBondContact O-N 3.09Å; E177-T181 VanDerWaalsContact O-N 3.1Å; E177-T181 PolarHBondContact O-OG1 3.37Å; E177-T181 VanDerWaalsContact O-OG1 3.07Å
178F98.9Very high98.6Very high3 Ų348.1 Ų48.11%0.01325%0.246CC..Hα-helixtrans-59-53.5177.6-176-90.7000111.9F130 P147 L149 F152 I166 L168 G174 V175 K180 T181 V182F130-F178 HydrophobicContact CD2-CE1 4.46Å; F130-F178 HydrophobicContact CD2-CZ 4.39Å; F130-F178 HydrophobicContact CE2-CE1 4.16Å; F130-F178 HydrophobicContact CE2-CE2 4.04Å; F130-F178 AromaticContact CE2-CZ 3.66Å; F130-F178 HydrophobicContact CE2-CZ 3.66Å; F130-F178 HydrophobicContact CZ-CE2 4.5Å; F130-F178 HydrophobicContact CZ-CZ 4.49Å; P147-F178 HydrophobicContact CB-CB 3.71Å; P147-F178 HydrophobicContact CB-CD1 3.92Å; P147-F178 HydrophobicContact CB-CD2 3.57Å; P147-F178 HydrophobicContact CB-CE1 4.46Å; P147-F178 HydrophobicContact CB-CE2 4.15Å; P147-F178 HydrophobicContact CB-CG 3.45Å; P147-F178 VanDerWaalsContact CB-CG 3.45Å; P147-F178 HydrophobicContact CG-CB 4.09Å; P147-F178 HydrophobicContact CG-CG 4.34Å; L149-F178 HydrophobicContact CD2-CD2 3.58Å; L149-F178 HydrophobicContact CD2-CE2 3.99Å; L149-F178 HydrophobicContact CD2-CG 4.29Å; L149-F178 HydrophobicContact CG-CD2 3.91Å; F152-F178 HydrophobicContact CB-CE2 3.7Å; F152-F178 HydrophobicContact CB-CZ 3.9Å; F152-F178 HydrophobicContact CD2-CZ 4.02Å; F152-F178 HydrophobicContact CG-CE2 4.13Å; F152-F178 AromaticContact CG-CZ 3.89Å; F152-F178 HydrophobicContact CG-CZ 3.89Å; I166-F178 HydrophobicContact CD1-CE1 4.46Å; I166-F178 HydrophobicContact CD1-CZ 4.18Å; I166-F178 HydrophobicContact CG2-CE1 4.27Å; L168-F178 HydrophobicContact CD2-CD1 3.77Å; L168-F178 HydrophobicContact CD2-CE1 4.11Å; G174-F178 WeakPolarHBondContact O-CB 3.3Å; G174-F178 PolarHBondContact O-N 2.94Å; V175-F178 PolarHBondContact O-N 2.91Å; F178-K180 VanDerWaalsContact C-N 3.34Å; F178-K180 PolarHBondContact O-N 3.06Å; F178-T181 PolarHBondContact O-N 3.31Å; F178-V182 HydrophobicContact CD1-CG1 4.28Å; F178-V182 HydrophobicContact CD1-CG2 4.21Å; F178-V182 HydrophobicContact CD2-CG1 4.45Å; F178-V182 HydrophobicContact CE1-CG1 3.91Å; F178-V182 HydrophobicContact CE1-CG2 3.99Å; F178-V182 HydrophobicContact CE2-CG1 4.1Å; F178-V182 HydrophobicContact CZ-CG1 3.8Å; F178-V182 WeakPolarHBondContact O-CG2 3.36Å; F178-V182 PolarHBondContact O-N 2.67Å
179V98.9Very high98.6Very high0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-55.9-49.6-179.4174.20000110.4L168 V175 T181 T183 V189 A207 A209L168-V179 HydrophobicContact CD2-CG2 4.01Å; V175-V179 HydrophobicContact CG1-CG2 3.64Å; V175-V179 WeakPolarHBondContact O-CB 3.4Å; V175-V179 WeakPolarHBondContact O-CG2 3.46Å; V175-V179 PolarHBondContact O-N 3.31Å; V179-T181 VanDerWaalsContact C-N 3.32Å; V179-T181 PolarHBondContact O-N 2.94Å; V179-T183 HydrophobicContact CG1-CG2 4.13Å; V179-T183 VanDerWaalsContact O-CB 3.31Å; V179-T183 WeakPolarHBondContact O-CB 3.35Å; V179-T183 WeakPolarHBondContact O-CG2 3.42Å; V179-T183 PolarHBondContact O-N 3.5Å; V179-T183 PolarHBondContact O-OG1 2.86Å; V179-V189 HydrophobicContact CG1-CB 4.33Å; V179-V189 HydrophobicContact CG1-CG2 4.33Å; V179-V189 HydrophobicContact CG2-CG1 4.03Å; V179-A207 HydrophobicContact CB-CB 3.93Å; V179-A207 HydrophobicContact CG1-CB 3.82Å; V179-A209 HydrophobicContact CG1-CB 4.03Å; V179-A209 VanDerWaalsContact CG1-N 3.25Å
180K98.8Very high98.6Very high110 Ų11048.1 Ų48.148%0.47825%0.246SC..Hα-helixtrans-57.9-47.8-179.2-172-169.2174.9-58.10111.2K176 E177 F178 T183 D184 A207K176-K180 WeakPolarHBondContact O-CB 3.36Å; K176-K180 PolarHBondContact O-N 3.34Å; E177-K180 PolarHBondContact O-N 2.79Å; F178-K180 VanDerWaalsContact C-N 3.34Å; F178-K180 PolarHBondContact O-N 3.06Å; K180-T183 PolarHBondContact O-OG1 3.17Å; K180-D184 IonicContact NZ-OD2 2.8Å; K180-D184 PolarHBondContact NZ-OD2 2.94Å; K180-D184 WeakPolarHBondContact O-CB 3.35Å; K180-D184 VanDerWaalsContact O-CG 3.26Å; K180-D184 PolarHBondContact O-N 3.11Å; K180-D184 VanDerWaalsContact O-N 3.09Å; K180-A207 VanDerWaalsContact CA-O 3.29Å; K180-A207 WeakPolarHBondContact CA-O 3.45Å
181T98.8Very high98.6Very high38 Ų3847.7 Ų47.723%0.23324%0.243CC..Hα-helixtrans-64.9-51.6-177.3-61.30000111.8L149 E177 F178 V179 T183 D184 E185L149-T181 HydrophobicContact CD1-CG2 4.15Å; L149-T181 HydrophobicContact CD2-CG2 3.74Å; E177-T181 PolarHBondContact O-N 3.09Å; E177-T181 VanDerWaalsContact O-N 3.1Å; E177-T181 PolarHBondContact O-OG1 3.37Å; E177-T181 VanDerWaalsContact O-OG1 3.07Å; F178-T181 PolarHBondContact O-N 3.31Å; V179-T181 VanDerWaalsContact C-N 3.32Å; V179-T181 PolarHBondContact O-N 2.94Å; T181-T183 VanDerWaalsContact C-N 3.32Å; T181-T183 PolarHBondContact O-N 3Å; T181-D184 PolarHBondContact O-N 3.09Å; T181-E185 WeakPolarHBondContact CG2-OE1 3.2Å; T181-E185 WeakPolarHBondContact O-CG 3.28Å; T181-E185 PolarHBondContact O-N 3.3Å; T181-E185 VanDerWaalsContact O-N 3.09Å
182V98.8Very high98.6Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-70.5-29-175.2-54.40000112.7L149 F152 F178 E185 G186 V187 V189L149-V182 HydrophobicContact CD2-CG1 3.96Å; F152-V182 HydrophobicContact CD1-CB 4.43Å; F152-V182 HydrophobicContact CD1-CG1 3.47Å; F152-V182 VanDerWaalsContact CD1-CG1 3.47Å; F152-V182 HydrophobicContact CE1-CB 3.94Å; F152-V182 HydrophobicContact CE1-CG1 3.48Å; F152-V182 VanDerWaalsContact CE1-CG1 3.48Å; F152-V182 HydrophobicContact CG-CG1 4.11Å; F152-V182 HydrophobicContact CZ-CB 4.28Å; F152-V182 HydrophobicContact CZ-CG1 4.11Å; F178-V182 HydrophobicContact CD1-CG1 4.28Å; F178-V182 HydrophobicContact CD1-CG2 4.21Å; F178-V182 HydrophobicContact CD2-CG1 4.45Å; F178-V182 HydrophobicContact CE1-CG1 3.91Å; F178-V182 HydrophobicContact CE1-CG2 3.99Å; F178-V182 HydrophobicContact CE2-CG1 4.1Å; F178-V182 HydrophobicContact CZ-CG1 3.8Å; F178-V182 WeakPolarHBondContact O-CG2 3.36Å; F178-V182 PolarHBondContact O-N 2.67Å; V182-E185 CarbonylContact O-C 3.54Å; V182-E185 WeakPolarHBondContact O-CB 3.33Å; V182-E185 PolarHBondContact O-N 2.93Å; V182-G186 PolarHBondContact O-N 2.95Å; V182-V187 HydrophobicContact CB-CB 4.37Å; V182-V187 WeakPolarHBondContact O-CB 3.27Å; V182-V187 PolarHBondContact O-N 3.46Å; V182-V189 HydrophobicContact CG2-CG2 3.31Å
183T98.7Very high98.6Very high20 Ų2043.1 Ų43.112%0.12323%0.225CC..Hα-helixtrans-73.8-36.5175.157.30000112.7V179 K180 T181 E185 G186 V187 V189 G208V179-T183 HydrophobicContact CG1-CG2 4.13Å; V179-T183 VanDerWaalsContact O-CB 3.31Å; V179-T183 WeakPolarHBondContact O-CB 3.35Å; V179-T183 WeakPolarHBondContact O-CG2 3.42Å; V179-T183 PolarHBondContact O-N 3.5Å; V179-T183 PolarHBondContact O-OG1 2.86Å; K180-T183 PolarHBondContact O-OG1 3.17Å; T181-T183 VanDerWaalsContact C-N 3.32Å; T181-T183 PolarHBondContact O-N 3Å; T183-E185 PolarHBondContact O-N 3.32Å; T183-G186 PolarHBondContact O-N 2.91Å; T183-V187 VanDerWaalsContact CA-O 3.31Å; T183-V187 WeakPolarHBondContact CA-O 3.43Å; T183-V187 WeakPolarHBondContact CG2-O 3.42Å; T183-V189 HydrophobicContact CG2-CB 4.3Å; T183-V189 HydrophobicContact CG2-CG2 3.8Å; T183-G208 WeakPolarHBondContact CG2-O 3.32Å
184D98.5Very high98.6Very high118 Ų11835.5 Ų35.563%0.63119%0.191SC*.Hα-helixtrans-62.4-30169.3-76.8-22.3000111.2K180 T181 G186K180-D184 IonicContact NZ-OD2 2.8Å; K180-D184 PolarHBondContact NZ-OD2 2.94Å; K180-D184 WeakPolarHBondContact O-CB 3.35Å; K180-D184 VanDerWaalsContact O-CG 3.26Å; K180-D184 PolarHBondContact O-N 3.11Å; K180-D184 VanDerWaalsContact O-N 3.09Å; T181-D184 PolarHBondContact O-N 3.09Å; D184-G186 PolarHBondContact O-N 2.82Å
185E98.4Very high98.6Very high92 Ų9234.8 Ų34.843%0.4318%0.177SC..THydrogen-bonded Turntrans-80.20.4173.5-68169.9-171.300113.8H153 T181 V182 T183H153-E185 IonicContact CD2-OE1 3.11Å; H153-E185 IonicContact CD2-OE2 3.51Å; H153-E185 IonicContact CE1-OE1 2.83Å; H153-E185 IonicContact NE2-OE1 2.89Å; H153-E185 PolarHBondContact NE2-OE1 3.35Å; H153-E185 IonicContact NE2-OE2 2.75Å; H153-E185 PolarHBondContact NE2-OE2 3.06Å; H153-E185 VanDerWaalsContact NE2-OE2 3.11Å; T181-E185 WeakPolarHBondContact CG2-OE1 3.2Å; T181-E185 WeakPolarHBondContact O-CG 3.28Å; T181-E185 PolarHBondContact O-N 3.3Å; T181-E185 VanDerWaalsContact O-N 3.09Å; V182-E185 CarbonylContact O-C 3.54Å; V182-E185 WeakPolarHBondContact O-CB 3.33Å; V182-E185 PolarHBondContact O-N 2.93Å; T183-E185 PolarHBondContact O-N 3.32Å
186G97.9Very high98.5Very high33 Ų3334.5 Ų34.534%0.3418%0.175SC..THydrogen-bonded Turntrans89.412.717500000115.2V182 T183 D184V182-G186 PolarHBondContact O-N 2.95Å; T183-G186 PolarHBondContact O-N 2.91Å; D184-G186 PolarHBondContact O-N 2.82Å
187V98.8Very high98.5Very high1 Ų130 Ų301%0.00616%0.158CC..PPolyproline II helixtrans-95.4134.6176.3-177.50000110.3F152 I163 I166 V182 T183F152-V187 HydrophobicContact CZ-CB 4.28Å; F152-V187 HydrophobicContact CZ-CG1 4.06Å; F152-V187 HydrophobicContact CZ-CG2 3.95Å; I163-V187 WeakPolarHBondContact O-CG2 3.18Å; I166-V187 HydrophobicContact CG2-CG1 4.17Å; V182-V187 HydrophobicContact CB-CB 4.37Å; V182-V187 WeakPolarHBondContact O-CB 3.27Å; V182-V187 PolarHBondContact O-N 3.46Å; T183-V187 VanDerWaalsContact CA-O 3.31Å; T183-V187 WeakPolarHBondContact CA-O 3.43Å; T183-V187 WeakPolarHBondContact CG2-O 3.42Å
188V98.9Very high98.5Very high1 Ų124.7 Ų24.71%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-79.3130.3176.9174.30000109.6K164 K165 I166 V211 S341 K343K164-V188 PolarHBondContact O-N 2.68Å; K165-V188 CarbonylContact C-O 3.44Å; K165-V188 VanDerWaalsContact CA-O 3.24Å; K165-V188 WeakPolarHBondContact CA-O 3.41Å; K165-V188 HydrophobicContact CB-CB 4.48Å; K165-V188 HydrophobicContact CG-CB 4.34Å; K165-V188 HydrophobicContact CG-CG1 4.3Å; I166-V188 PolarHBondContact N-O 3.16Å; V188-V211 HydrophobicContact CG1-CB 4.44Å; V188-V211 HydrophobicContact CG1-CG2 3.59Å; V188-S341 WeakPolarHBondContact CG1-O 3.41Å; V188-K343 HydrophobicContact CG2-CD 4.08Å; V188-K343 HydrophobicContact CG2-CG 4.01Å
189V98.9Very high98.5Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-101.9130.2171.5-177.90000110.1I166 L168 V179 V182 T183 A209 S210 V211I166-V189 HydrophobicContact CG2-CG2 4.04Å; I166-V189 WeakPolarHBondContact O-CA 3.5Å; L168-V189 HydrophobicContact CD1-CG1 4.37Å; L168-V189 HydrophobicContact CD2-CG1 3.8Å; L168-V189 HydrophobicContact CG-CG1 3.8Å; V179-V189 HydrophobicContact CG1-CB 4.33Å; V179-V189 HydrophobicContact CG1-CG2 4.33Å; V179-V189 HydrophobicContact CG2-CG1 4.03Å; V182-V189 HydrophobicContact CG2-CG2 3.31Å; T183-V189 HydrophobicContact CG2-CB 4.3Å; T183-V189 HydrophobicContact CG2-CG2 3.8Å; V189-A209 HydrophobicContact CB-CB 4.1Å; V189-A209 HydrophobicContact CG1-CB 4.08Å; V189-S210 PolarHBondContact O-N 3.01Å; V189-V211 PolarHBondContact O-N 3.39Å
190S98.8Very high98.5Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-112.8146.6177.157.60000111.6K165 I166 A167 L168 V211K165-S190 WeakPolarHBondContact CE-OG 3.29Å; I166-S190 PolarHBondContact O-N 2.86Å; I166-S190 PolarHBondContact O-OG 3.4Å; A167-S190 VanDerWaalsContact CA-O 3.29Å; A167-S190 WeakPolarHBondContact CA-O 3.34Å; A167-S190 VanDerWaalsContact CA-OG 3.3Å; A167-S190 WeakPolarHBondContact CA-OG 3.43Å; A167-S190 VanDerWaalsContact CB-OG 3.29Å; A167-S190 WeakPolarHBondContact CB-OG 3.43Å; L168-S190 PolarHBondContact N-O 2.8Å; S190-V211 CarbonylContact C-O 3.58Å; S190-V211 WeakPolarHBondContact CA-O 3.45Å
191L98.8Very high98.5Very high1 Ų127.9 Ų27.91%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-110.5122.8-176.1-51.6-179000109.6L168 P170 A201 A204 V205 A209 V211 F212 V213 M229L168-L191 HydrophobicContact CD1-CD2 3.71Å; L168-L191 WeakPolarHBondContact O-CA 3.38Å; P170-L191 HydrophobicContact CB-CD2 4.25Å; P170-L191 HydrophobicContact CG-CB 4.49Å; P170-L191 HydrophobicContact CG-CD1 4.41Å; P170-L191 HydrophobicContact CG-CD2 4.35Å; L191-A201 HydrophobicContact CD1-CB 4.48Å; L191-A204 HydrophobicContact CD1-CB 4.04Å; L191-A204 HydrophobicContact CD2-CB 3.86Å; L191-V205 HydrophobicContact CD1-CG2 4.01Å; L191-A209 HydrophobicContact CD1-CB 4.18Å; L191-A209 HydrophobicContact CD2-CB 3.74Å; L191-A209 HydrophobicContact CG-CB 3.97Å; L191-V211 PolarHBondContact N-O 2.81Å; L191-F212 HydrophobicContact CB-CD1 4.17Å; L191-F212 HydrophobicContact CB-CE1 4.22Å; L191-F212 HydrophobicContact CD1-CE1 4.1Å; L191-F212 HydrophobicContact CD1-CZ 4Å; L191-F212 WeakPolarHBondContact O-CA 3.34Å; L191-V213 PolarHBondContact O-N 3.24Å; L191-M229 HydrophobicContact CB-CE 3.73Å
192G98.2Very high98.5Very high0 Ų029.7 Ų29.70%016%0.157CC..  trans-169.7173.5-175.900000112.3F131 L168 S194F131-G192 WeakPolarHBondContact CD1-O 3.4Å; L168-G192 PolarHBondContact O-N 3.02Å; G192-S194 VanDerWaalsContact C-N 3.3Å; G192-S194 PolarHBondContact O-N 3.44Å
193H97.5Very high98.5Very high11 Ų1134.9 Ų34.95%0.05118%0.181CC..SBendtrans50.250.8-179.8-67.3-72000112.7E127 F131 T132 H135 K136 H214 G218E127-H193 IonicContact OE1-CD2 3.24Å; E127-H193 IonicContact OE1-NE2 2.78Å; E127-H193 PolarHBondContact OE1-NE2 3.44Å; F131-H193 HydrophobicContact CB-CB 3.75Å; F131-H193 HydrophobicContact CD1-CB 3.53Å; F131-H193 HydrophobicContact CD2-CB 3.78Å; F131-H193 AromaticContact CD2-CD2 3.99Å; F131-H193 AromaticContact CD2-CG 4Å; F131-H193 HydrophobicContact CE1-CB 3.96Å; F131-H193 HydrophobicContact CE2-CB 4.2Å; F131-H193 AromaticContact CE2-CD2 3.57Å; F131-H193 HydrophobicContact CG-CB 3.42Å; F131-H193 VanDerWaalsContact CG-CB 3.42Å; F131-H193 HydrophobicContact CZ-CB 4.26Å; F131-H193 AromaticContact CZ-CD2 3.57Å; T132-H193 PolarHBondContact N-O 3.21Å; T132-H193 VanDerWaalsContact N-O 3.15Å; T132-H193 PolarHBondContact OG1-O 3.28Å; H135-H193 PolarHBondContact O-ND1 2.57Å; H135-H193 VanDerWaalsContact O-ND1 3.09Å; K136-H193 PolarHBondContact O-ND1 2.87Å; H193-H214 AromaticContact CD2-CE1 3.94Å; H193-H214 AromaticContact CD2-NE2 3.93Å; H193-H214 AromaticContact CE1-CE1 3.9Å; H193-H214 AromaticContact CE1-NE2 3.79Å; H193-H214 AromaticContact NE2-CE1 3.48Å; H193-H214 PolarHBondContact NE2-CE1 3.04Å; H193-H214 AromaticContact NE2-NE2 3.16Å; H193-H214 PolarHBondContact NE2-NE2 3Å; H193-H214 VanDerWaalsContact NE2-NE2 3.16Å; H193-G218 CarbonylContact C-O 3.56Å; H193-G218 WeakPolarHBondContact CA-O 3.43Å; H193-G218 PolarHBondContact N-O 2.96Å
194S98.2Very high98.5Very high0 Ų034 Ų340%018%0.176CC..BIsolated β-bridgetrans-140.7140.9-162.1166.80000112.7H135 P170 E171 G192 A196 G218 M219 R220H135-S194 PolarHBondContact CD2-O 2.83Å; H135-S194 VanDerWaalsContact CD2-O 3.23Å; P170-S194 WeakPolarHBondContact CD-OG 3.13Å; E171-S194 VanDerWaalsContact CD-OG 3.27Å; E171-S194 PolarHBondContact OE1-OG 2.88Å; E171-S194 WeakPolarHBondContact OE2-CB 3.46Å; E171-S194 PolarHBondContact OE2-OG 2.9Å; G192-S194 VanDerWaalsContact C-N 3.3Å; G192-S194 PolarHBondContact O-N 3.44Å; S194-A196 WeakPolarHBondContact OG-CB 3.42Å; S194-A196 PolarHBondContact OG-N 3.07Å; S194-G218 PolarHBondContact N-O 3.22Å; S194-G218 VanDerWaalsContact N-O 3.17Å; S194-M219 WeakPolarHBondContact O-CA 3.5Å; S194-R220 PolarHBondContact O-N 3.2Å
195N98Very high98.5Very high31 Ų3129.7 Ų29.717%0.16615%0.154CC..  trans-99.719.9168.3-158.235.6000113.5E134 H135 E171 R220E134-N195 HydrophobicContact CB-CB 4.18Å; E134-N195 VanDerWaalsContact CD-CG 3.43Å; E134-N195 HydrophobicContact CG-CB 4.45Å; E134-N195 PolarHBondContact OE1-ND2 3.22Å; E134-N195 PolarHBondContact OE2-ND2 3.03Å; H135-N195 PolarHBondContact CD2-OD1 3.28Å; H135-N195 PolarHBondContact NE2-OD1 3.26Å; E171-N195 PolarHBondContact OE1-N 3.29Å; N195-R220 VanDerWaalsContact O-CD 3.29Å; N195-R220 WeakPolarHBondContact O-CD 3.3Å; N195-R220 PolarHBondContact O-NH1 2.94Å; N195-R220 WeakPolarHBondContact OD1-CD 3.44Å; N195-R220 WeakPolarHBondContact OD1-CG 3.47Å
196A98.5Very high98.5Very high0 Ų031.7 Ų31.70%016%0.163CC..  trans-62.8151.7-175.500000113.4P170 E171 S194 E200 R220 M229P170-A196 HydrophobicContact CB-CB 4.4Å; P170-A196 HydrophobicContact CG-CB 3.57Å; E171-A196 HydrophobicContact CB-CB 4.2Å; E171-A196 WeakPolarHBondContact OE2-CB 3.31Å; S194-A196 WeakPolarHBondContact OG-CB 3.42Å; S194-A196 PolarHBondContact OG-N 3.07Å; A196-E200 WeakPolarHBondContact CA-OE2 3.4Å; A196-E200 HydrophobicContact CB-CB 3.9Å; A196-R220 WeakPolarHBondContact O-CD 3.39Å; A196-M229 HydrophobicContact CB-CG 4.29Å; A196-M229 HydrophobicContact CB-SD 3.84Å
197T98.5Very high98.6Very high32 Ų3230.7 Ų30.720%0.19615%0.152CC..  trans-76.4169.4167.878.60000111.1E199 E200 A201T197-E199 VanDerWaalsContact CB-OE2 3.28Å; T197-E199 WeakPolarHBondContact CB-OE2 3.44Å; T197-E199 PolarHBondContact O-N 3.17Å; T197-E199 PolarHBondContact OG1-N 2.82Å; T197-E199 PolarHBondContact OG1-OE2 3.42Å; T197-E200 PolarHBondContact N-OE2 3.24Å; T197-E200 PolarHBondContact O-N 2.65Å; T197-E200 PolarHBondContact OG1-N 3.49Å; T197-A201 PolarHBondContact O-N 3.26Å; T197-A201 VanDerWaalsContact O-N 3.09Å
198L98.6Very high98.6Very high28 Ų2832.1 Ų32.115%0.14717%0.166CC..Hα-helixtrans-54.2-42171.3173.361.7000112.1A201 Q202 P227 A232 L236L198-A201 PolarHBondContact O-N 3.37Å; L198-Q202 VanDerWaalsContact O-CB 3.31Å; L198-Q202 WeakPolarHBondContact O-CB 3.24Å; L198-Q202 PolarHBondContact O-N 2.91Å; L198-P227 HydrophobicContact CD2-CB 4.44Å; L198-P227 HydrophobicContact CD2-CG 4.18Å; L198-A232 HydrophobicContact CD1-CB 3.61Å; L198-L236 HydrophobicContact CD1-CD2 4.3Å; L198-L236 HydrophobicContact CD1-CG 4.31Å
199E98.5Very high98.6Very high108 Ų10832.2 Ų32.251%0.50517%0.167SC..Hα-helixtrans-65.2-44.3-177.8-62.476.1-166.800111.9T197 Q202 E203T197-E199 VanDerWaalsContact CB-OE2 3.28Å; T197-E199 WeakPolarHBondContact CB-OE2 3.44Å; T197-E199 PolarHBondContact O-N 3.17Å; T197-E199 PolarHBondContact OG1-N 2.82Å; T197-E199 PolarHBondContact OG1-OE2 3.42Å; E199-Q202 PolarHBondContact O-N 2.81Å; E199-E203 WeakPolarHBondContact O-CG 3.21Å; E199-E203 PolarHBondContact O-N 2.82Å
200E98.7Very high98.5Very high71 Ų7133.3 Ų33.333%0.33218%0.175SC..Hα-helixtrans-64.2-42.4177-70170142.700111.3A196 T197 Q202 E203 A204A196-E200 WeakPolarHBondContact CA-OE2 3.4Å; A196-E200 HydrophobicContact CB-CB 3.9Å; T197-E200 PolarHBondContact N-OE2 3.24Å; T197-E200 PolarHBondContact O-N 2.65Å; T197-E200 PolarHBondContact OG1-N 3.49Å; E200-Q202 VanDerWaalsContact C-N 3.34Å; E200-Q202 PolarHBondContact O-N 2.53Å; E200-E203 PolarHBondContact O-N 3.18Å; E200-A204 PolarHBondContact O-N 2.82Å
201A98.8Very high98.5Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-62.5-41.7173.800000111.8P170 L191 T197 L198 A204 V205 F212 M229 A232P170-A201 HydrophobicContact CG-CB 4.43Å; L191-A201 HydrophobicContact CD1-CB 4.48Å; T197-A201 PolarHBondContact O-N 3.26Å; T197-A201 VanDerWaalsContact O-N 3.09Å; L198-A201 PolarHBondContact O-N 3.37Å; A201-A204 PolarHBondContact O-N 3.03Å; A201-V205 WeakPolarHBondContact O-CG2 3.4Å; A201-V205 PolarHBondContact O-N 3.01Å; A201-F212 HydrophobicContact CB-CE1 4.41Å; A201-F212 HydrophobicContact CB-CZ 4.42Å; A201-M229 HydrophobicContact CB-SD 3.78Å; A201-A232 HydrophobicContact CB-CB 3.61Å
202Q98.7Very high98.6Very high76 Ų7633.3 Ų33.336%0.35518%0.175SC..Hα-helixtrans-62.5-43.1176.7-177.1177.7-24.900111.5L198 E199 E200 A204 V205 E206 L236L198-Q202 VanDerWaalsContact O-CB 3.31Å; L198-Q202 WeakPolarHBondContact O-CB 3.24Å; L198-Q202 PolarHBondContact O-N 2.91Å; E199-Q202 PolarHBondContact O-N 2.81Å; E200-Q202 VanDerWaalsContact C-N 3.34Å; E200-Q202 PolarHBondContact O-N 2.53Å; Q202-A204 VanDerWaalsContact C-N 3.28Å; Q202-A204 PolarHBondContact O-N 2.98Å; Q202-V205 PolarHBondContact O-N 2.87Å; Q202-E206 HydrophobicContact CG-CG 4.3Å; Q202-E206 PolarHBondContact NE2-OE1 3.2Å; Q202-E206 WeakPolarHBondContact O-CB 3.42Å; Q202-E206 WeakPolarHBondContact O-CG 3.18Å; Q202-E206 PolarHBondContact O-N 2.74Å; Q202-L236 HydrophobicContact CB-CD1 4.25Å; Q202-L236 HydrophobicContact CB-CD2 4.02Å; Q202-L236 HydrophobicContact CG-CD2 3.94Å
203E98.7Very high98.6Very high109 Ų10933.3 Ų33.351%0.50918%0.175SC..Hα-helixtrans-60.2-38.5176.7-75.3-172.7-164.700112.3E199 E200 A207E199-E203 WeakPolarHBondContact O-CG 3.21Å; E199-E203 PolarHBondContact O-N 2.82Å; E200-E203 PolarHBondContact O-N 3.18Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 3.29Å
204A98.8Very high98.6Very high1 Ų133 Ų331%0.00817%0.174CC..Hα-helixtrans-69.4-39175.100000112.3P170 V175 L191 E200 A201 Q202 A207 G208 A209P170-A204 HydrophobicContact CB-CB 3.76Å; V175-A204 HydrophobicContact CG1-CB 4.01Å; L191-A204 HydrophobicContact CD1-CB 4.04Å; L191-A204 HydrophobicContact CD2-CB 3.86Å; E200-A204 PolarHBondContact O-N 2.82Å; A201-A204 PolarHBondContact O-N 3.03Å; Q202-A204 VanDerWaalsContact C-N 3.28Å; Q202-A204 PolarHBondContact O-N 2.98Å; A204-A207 WeakPolarHBondContact O-CB 3.15Å; A204-A207 PolarHBondContact O-N 3.1Å; A204-G208 PolarHBondContact O-N 3.18Å; A204-A209 HydrophobicContact CB-CB 4.35Å; A204-A209 VanDerWaalsContact O-CB 3.31Å; A204-A209 WeakPolarHBondContact O-CB 3.41Å; A204-A209 PolarHBondContact O-N 2.87Å
205V98.8Very high98.6Very high29 Ų2933 Ų3318%0.17617%0.174CC..Hα-helixtrans-65.2-43.7174.9170.70000111.4L191 A201 Q202 A207 G208 A209 F212 L236 V239L191-V205 HydrophobicContact CD1-CG2 4.01Å; A201-V205 WeakPolarHBondContact O-CG2 3.4Å; A201-V205 PolarHBondContact O-N 3.01Å; Q202-V205 PolarHBondContact O-N 2.87Å; V205-A207 PolarHBondContact O-N 3.12Å; V205-G208 PolarHBondContact O-N 3.39Å; V205-A209 WeakPolarHBondContact CA-O 3.26Å; V205-F212 HydrophobicContact CG2-CE2 4.43Å; V205-F212 HydrophobicContact CG2-CZ 4.48Å; V205-L236 HydrophobicContact CB-CD1 4.23Å; V205-L236 HydrophobicContact CG2-CD1 3.8Å; V205-V239 HydrophobicContact CG1-CG1 3.82Å; V205-V239 HydrophobicContact CG2-CG1 3.9Å
206E98.6Very high98.6Very high134 Ų13434.5 Ų34.563%0.62618%0.177SC*.Hα-helixtrans-62.6-26.8174.2-73.3178.2-175.200112.6Q202 G208Q202-E206 HydrophobicContact CG-CG 4.3Å; Q202-E206 PolarHBondContact NE2-OE1 3.2Å; Q202-E206 WeakPolarHBondContact O-CB 3.42Å; Q202-E206 WeakPolarHBondContact O-CG 3.18Å; Q202-E206 PolarHBondContact O-N 2.74Å; E206-G208 VanDerWaalsContact C-N 3.33Å
207A98.6Very high98.6Very high12 Ų1236.1 Ų36.110%0.09919%0.186CC..Hα-helixtrans-77.9-15.8172.900000113.5K176 V179 K180 E203 A204 V205K176-A207 HydrophobicContact CG-CB 4.05Å; V179-A207 HydrophobicContact CB-CB 3.93Å; V179-A207 HydrophobicContact CG1-CB 3.82Å; K180-A207 VanDerWaalsContact CA-O 3.29Å; K180-A207 WeakPolarHBondContact CA-O 3.45Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 3.29Å; A204-A207 WeakPolarHBondContact O-CB 3.15Å; A204-A207 PolarHBondContact O-N 3.1Å; V205-A207 PolarHBondContact O-N 3.12Å
208G98.6Very high98.5Very high30 Ų3035.7 Ų35.731%0.30919%0.188SC..THydrogen-bonded Turntrans128.4-3.6176.100000115.7T183 A204 V205 E206T183-G208 WeakPolarHBondContact CG2-O 3.32Å; A204-G208 PolarHBondContact O-N 3.18Å; V205-G208 PolarHBondContact O-N 3.39Å; E206-G208 VanDerWaalsContact C-N 3.33Å
209A98.8Very high98.4Very high3 Ų334.7 Ų34.73%0.02518%0.183CC..  trans-65.3141.3175.200000110.5V179 V189 L191 A204 V205V179-A209 HydrophobicContact CG1-CB 4.03Å; V179-A209 VanDerWaalsContact CG1-N 3.25Å; V189-A209 HydrophobicContact CB-CB 4.1Å; V189-A209 HydrophobicContact CG1-CB 4.08Å; L191-A209 HydrophobicContact CD1-CB 4.18Å; L191-A209 HydrophobicContact CD2-CB 3.74Å; L191-A209 HydrophobicContact CG-CB 3.97Å; A204-A209 HydrophobicContact CB-CB 4.35Å; A204-A209 VanDerWaalsContact O-CB 3.31Å; A204-A209 WeakPolarHBondContact O-CB 3.41Å; A204-A209 PolarHBondContact O-N 2.87Å; V205-A209 WeakPolarHBondContact CA-O 3.26Å
210S98.7Very high98.4Very high24 Ų2433 Ų3317%0.16817%0.172CC..  trans-139.60.1-168.4650000114.8V189 V239 F240V189-S210 PolarHBondContact O-N 3.01Å; S210-V239 CarbonylContact O-C 3.59Å; S210-V239 WeakPolarHBondContact O-CA 3.39Å; S210-F240 PolarHBondContact O-N 3.14Å
211V98.9Very high98.4Very high1 Ų131.7 Ų31.71%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-131.8139.6-178.1179.20000109.8V188 V189 S190 L191 F240 E242V188-V211 HydrophobicContact CG1-CB 4.44Å; V188-V211 HydrophobicContact CG1-CG2 3.59Å; V189-V211 PolarHBondContact O-N 3.39Å; S190-V211 CarbonylContact C-O 3.58Å; S190-V211 WeakPolarHBondContact CA-O 3.45Å; L191-V211 PolarHBondContact N-O 2.81Å; V211-F240 CarbonylContact C-O 3.6Å; V211-F240 WeakPolarHBondContact CA-O 3.36Å; V211-F240 HydrophobicContact CG2-CB 4.31Å; V211-E242 HydrophobicContact CG1-CG 3.93Å
212F98.9Very high98.4Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-102.4125.9165.2-74.5-96.2000109L191 A201 V205 M229 A232 L233 L236 V239 F240 E242L191-F212 HydrophobicContact CB-CD1 4.17Å; L191-F212 HydrophobicContact CB-CE1 4.22Å; L191-F212 HydrophobicContact CD1-CE1 4.1Å; L191-F212 HydrophobicContact CD1-CZ 4Å; L191-F212 WeakPolarHBondContact O-CA 3.34Å; A201-F212 HydrophobicContact CB-CE1 4.41Å; A201-F212 HydrophobicContact CB-CZ 4.42Å; V205-F212 HydrophobicContact CG2-CE2 4.43Å; V205-F212 HydrophobicContact CG2-CZ 4.48Å; F212-M229 HydrophobicContact CD1-CE 3.77Å; F212-M229 HydrophobicContact CE1-CE 3.65Å; F212-M229 HydrophobicContact CE1-SD 4.2Å; F212-A232 HydrophobicContact CE1-CB 3.9Å; F212-A232 HydrophobicContact CZ-CB 3.73Å; F212-L233 HydrophobicContact CB-CB 3.99Å; F212-L233 HydrophobicContact CB-CD2 4.32Å; F212-L233 HydrophobicContact CD1-CB 3.84Å; F212-L233 HydrophobicContact CD1-CD2 4.41Å; F212-L233 HydrophobicContact CD2-CB 3.67Å; F212-L233 HydrophobicContact CE1-CB 4.21Å; F212-L233 HydrophobicContact CE2-CB 4.07Å; F212-L233 HydrophobicContact CG-CB 3.55Å; F212-L233 HydrophobicContact CG-CD2 4.47Å; F212-L233 HydrophobicContact CZ-CB 4.32Å; F212-L236 HydrophobicContact CZ-CD1 4.24Å; F212-V239 HydrophobicContact CD2-CB 4.25Å; F212-V239 HydrophobicContact CD2-CG2 4.24Å; F212-V239 HydrophobicContact CE2-CB 4.11Å; F212-V239 HydrophobicContact CE2-CG1 4.14Å; F212-V239 HydrophobicContact CE2-CG2 4.03Å; F212-F240 PolarHBondContact N-O 2.66Å; F212-E242 WeakPolarHBondContact O-CB 3.44Å; F212-E242 PolarHBondContact O-N 3.07Å
213V98.7Very high98.3Very high0 Ų037 Ų370%021%0.207CC..SBendtrans-71.6136.4-179.7-166.30000109H58 Y125 A167 L191 A215 M219H58-V213 VanDerWaalsContact CE1-CG1 3.42Å; H58-V213 WeakPolarHBondContact CE1-CG1 3.48Å; Y125-V213 WeakPolarHBondContact OH-CG2 3.37Å; A167-V213 HydrophobicContact CB-CG2 3.96Å; L191-V213 PolarHBondContact O-N 3.24Å; V213-A215 PolarHBondContact O-N 3.04Å; V213-M219 WeakPolarHBondContact O-CE 3.07Å
214H98.4Very high98.2Very high4 Ų439.4 Ų39.42%0.01922%0.218CC..SBendtrans25.765.5175.147.538.9000115H58 E127 H193 Y216 N217 E242 I244 D272H58-H214 AromaticContact CE1-CD2 3.84Å; E127-H214 IonicContact OE1-CD2 3.09Å; E127-H214 IonicContact OE1-NE2 3.16Å; E127-H214 PolarHBondContact OE1-NE2 3.1Å; E127-H214 VanDerWaalsContact OE1-NE2 3.09Å; H193-H214 AromaticContact CD2-CE1 3.94Å; H193-H214 AromaticContact CD2-NE2 3.93Å; H193-H214 AromaticContact CE1-CE1 3.9Å; H193-H214 AromaticContact CE1-NE2 3.79Å; H193-H214 AromaticContact NE2-CE1 3.48Å; H193-H214 PolarHBondContact NE2-CE1 3.04Å; H193-H214 AromaticContact NE2-NE2 3.16Å; H193-H214 PolarHBondContact NE2-NE2 3Å; H193-H214 VanDerWaalsContact NE2-NE2 3.16Å; H214-Y216 PolarHBondContact O-N 2.83Å; H214-N217 HydrophobicContact CB-CB 4.3Å; H214-N217 PolarHBondContact ND1-O 3.46Å; H214-N217 WeakPolarHBondContact O-CA 3.24Å; H214-N217 VanDerWaalsContact O-CB 3.24Å; H214-N217 WeakPolarHBondContact O-CB 3.48Å; H214-N217 PolarHBondContact O-N 3.35Å; H214-N217 PolarHBondContact O-ND2 3Å; H214-E242 CarbonylContact C-O 3.56Å; H214-E242 WeakPolarHBondContact CA-O 3.11Å; H214-I244 HydrophobicContact CB-CD1 3.71Å; H214-I244 HydrophobicContact CB-CG1 4.25Å; H214-D272 IonicContact CD2-OD2 2.74Å
215A98.5Very high98.1Very high0 Ų049.2 Ų49.20%026%0.255CS..THydrogen-bonded Turntrans-37.7136.1-175.600000113.2V213 N217 L233 E242 L243 L258V213-A215 PolarHBondContact O-N 3.04Å; A215-N217 PolarHBondContact O-N 3.32Å; A215-N217 PolarHBondContact O-ND2 3.49Å; A215-N217 VanDerWaalsContact O-ND2 3.16Å; A215-L233 HydrophobicContact CB-CD1 4.32Å; A215-L233 HydrophobicContact CB-CD2 3.8Å; A215-E242 WeakPolarHBondContact CB-O 3.32Å; A215-E242 PolarHBondContact N-O 2.8Å; A215-L243 HydrophobicContact CB-CD1 4.45Å; A215-L258 HydrophobicContact CB-CD2 3.59Å
216Y98.4Very high98Very high62 Ų6249.8 Ų49.824%0.24326%0.256CS..THydrogen-bonded Turntrans76.6-21.3-169.7-52.2-72.7000116.4H214 V230 L243 V250 A254 L258H214-Y216 PolarHBondContact O-N 2.83Å; Y216-V230 HydrophobicContact CD1-CG1 3.84Å; Y216-V230 HydrophobicContact CD1-CG2 4.04Å; Y216-V230 HydrophobicContact CE1-CG1 3.6Å; Y216-L243 HydrophobicContact CD2-CD1 4.49Å; Y216-V250 HydrophobicContact CD2-CG2 3.67Å; Y216-V250 HydrophobicContact CE2-CG2 3.99Å; Y216-A254 HydrophobicContact CE2-CB 4.18Å; Y216-A254 PolarHBondContact OH-O 2.79Å; Y216-L258 HydrophobicContact CE2-CB 4.08Å; Y216-L258 HydrophobicContact CE2-CD2 4.12Å
217N97.7Very high97.9Very high34 Ų3445.2 Ų45.218%0.18224%0.238CC..SBendtrans-99.6145.7-175.3-60-91.6000110.6H214 A215 M219 H249H214-N217 HydrophobicContact CB-CB 4.3Å; H214-N217 PolarHBondContact ND1-O 3.46Å; H214-N217 WeakPolarHBondContact O-CA 3.24Å; H214-N217 VanDerWaalsContact O-CB 3.24Å; H214-N217 WeakPolarHBondContact O-CB 3.48Å; H214-N217 PolarHBondContact O-N 3.35Å; H214-N217 PolarHBondContact O-ND2 3Å; A215-N217 PolarHBondContact O-N 3.32Å; A215-N217 PolarHBondContact O-ND2 3.49Å; A215-N217 VanDerWaalsContact O-ND2 3.16Å; N217-M219 WeakPolarHBondContact O-CE 3.38Å; N217-M219 WeakPolarHBondContact O-CG 3.5Å; N217-M219 PolarHBondContact O-N 2.8Å; N217-H249 PolarHBondContact ND2-O 3.29Å; N217-H249 VanDerWaalsContact ND2-O 3.09Å; N217-H249 PolarHBondContact OD1-O 3.13Å
218G95.6Very high97.9Very high23 Ų2344.6 Ų44.624%0.23723%0.233CC..SBendtrans53.633.4177.700000114.1H135 H193 S194H135-G218 VanDerWaalsContact CB-C 3.43Å; H135-G218 WeakPolarHBondContact CB-O 3.15Å; H193-G218 CarbonylContact C-O 3.56Å; H193-G218 WeakPolarHBondContact CA-O 3.43Å; H193-G218 PolarHBondContact N-O 2.96Å; S194-G218 PolarHBondContact N-O 3.22Å; S194-G218 VanDerWaalsContact N-O 3.17Å
219M97.9Very high97.9Very high8 Ų843.2 Ų43.24%0.03922%0.218CC..BIsolated β-bridgetrans-150.8157.4-176.468.7178.166.600113.6S194 V213 N217 G221 M229 V230 L233S194-M219 WeakPolarHBondContact O-CA 3.5Å; V213-M219 WeakPolarHBondContact O-CE 3.07Å; N217-M219 WeakPolarHBondContact O-CE 3.38Å; N217-M219 WeakPolarHBondContact O-CG 3.5Å; N217-M219 PolarHBondContact O-N 2.8Å; M219-G221 PolarHBondContact O-N 3.43Å; M219-M229 HydrophobicContact CB-CB 3.75Å; M219-M229 HydrophobicContact CB-CG 4.2Å; M219-M229 HydrophobicContact CG-CB 4.12Å; M219-M229 HydrophobicContact SD-CB 4.02Å; M219-V230 HydrophobicContact CG-CG2 4.04Å; M219-V230 HydrophobicContact SD-CG2 3.9Å; M219-L233 HydrophobicContact CE-CD2 4.23Å; M219-L233 HydrophobicContact SD-CD2 3.55Å; M219-L233 VanDerWaalsContact SD-CD2 3.55Å
220R98.2Very high97.9Very high73 Ų7343.3 Ų43.328%0.27522%0.219SC..PPolyproline II helixtrans-57.6121.7174.4-168.6169.2-175147.9-8.1112.2S194 N195 A196 E226 M229 V230S194-R220 PolarHBondContact O-N 3.2Å; N195-R220 VanDerWaalsContact O-CD 3.29Å; N195-R220 WeakPolarHBondContact O-CD 3.3Å; N195-R220 PolarHBondContact O-NH1 2.94Å; N195-R220 WeakPolarHBondContact OD1-CD 3.44Å; N195-R220 WeakPolarHBondContact OD1-CG 3.47Å; A196-R220 WeakPolarHBondContact O-CD 3.39Å; R220-E226 IonicContact CZ-OE2 3Å; R220-E226 IonicContact NE-OE2 2.57Å; R220-E226 PolarHBondContact NE-OE2 3.41Å; R220-E226 IonicContact NH2-OE2 2.74Å; R220-E226 PolarHBondContact NH2-OE2 3.34Å; R220-M229 HydrophobicContact CB-CB 4.38Å; R220-M229 HydrophobicContact CB-CG 4.3Å; R220-M229 PolarHBondContact O-N 2.94Å; R220-V230 PolarHBondContact O-N 3.07Å; R220-V230 VanDerWaalsContact O-N 3.11Å
221G97.9Very high97.9Very high43 Ų4342.2 Ų42.244%0.44321%0.211SC..PPolyproline II helixtrans-71.1168.4-178.100000114.6M219 N223M219-G221 PolarHBondContact O-N 3.43Å; G221-N223 PolarHBondContact O-N 3.03Å
222L98.2Very high97.9Very high110 Ų11042.2 Ų42.258%0.57621%0.211SC*.PPolyproline II helixtrans-73.6122.3-179.4-178.665.2000112P227 V230 L234L222-P227 WeakPolarHBondContact CA-O 3.34Å; L222-P227 HydrophobicContact CD1-CB 4.03Å; L222-V230 HydrophobicContact CB-CB 4.12Å; L222-V230 HydrophobicContact CB-CG1 3.85Å; L222-L234 HydrophobicContact CD2-CD1 4.32Å
223N97.8Very high97.9Very high77 Ų7742.4 Ų42.441%0.41221%0.212SC..BIsolated β-bridgetrans-124.9140.4166.8-173.2-73.7000111.6G221 R225 E226 P227G221-N223 PolarHBondContact O-N 3.03Å; N223-R225 PolarHBondContact O-N 3.39Å; N223-R225 VanDerWaalsContact O-N 3.08Å; N223-R225 PolarHBondContact OD1-N 3.09Å; N223-E226 VanDerWaalsContact CB-O 3.3Å; N223-E226 WeakPolarHBondContact CB-O 3.36Å; N223-E226 PolarHBondContact N-O 3.34Å; N223-E226 CarbonylContact O-C 3.53Å; N223-E226 PolarHBondContact O-N 3.2Å; N223-E226 VanDerWaalsContact O-O 3.08Å; N223-P227 WeakPolarHBondContact O-CA 3.27Å
224H96Very high97.8Very high159 Ų15943.4 Ų43.474%0.73622%0.217SC*.THydrogen-bonded Turntrans-61.8-16.4-17867.9-72000115.6
225R96.9Very high97.8Very high208 Ų20846.6 Ų46.679%0.78524%0.237SC*.THydrogen-bonded Turntrans-103.3-24.2176.3-66.4-179.9-178.9-95.9-1.1113.5N223N223-R225 PolarHBondContact O-N 3.39Å; N223-R225 VanDerWaalsContact O-N 3.08Å; N223-R225 PolarHBondContact OD1-N 3.09Å
226E96.6Very high97.8Very high40 Ų4047.9 Ų47.919%0.18724%0.244CC..BIsolated β-bridgetrans-148.996.8-176.7-166.1-73.9113.100106.2R220 N223 G228R220-E226 IonicContact CZ-OE2 3Å; R220-E226 IonicContact NE-OE2 2.57Å; R220-E226 PolarHBondContact NE-OE2 3.41Å; R220-E226 IonicContact NH2-OE2 2.74Å; R220-E226 PolarHBondContact NH2-OE2 3.34Å; N223-E226 VanDerWaalsContact CB-O 3.3Å; N223-E226 WeakPolarHBondContact CB-O 3.36Å; N223-E226 PolarHBondContact N-O 3.34Å; N223-E226 CarbonylContact O-C 3.53Å; N223-E226 PolarHBondContact O-N 3.2Å; N223-E226 VanDerWaalsContact O-O 3.08Å; E226-G228 PolarHBondContact O-N 2.68Å; E226-G228 VanDerWaalsContact OE1-CA 3.28Å; E226-G228 WeakPolarHBondContact OE1-CA 3.43Å; E226-G228 PolarHBondContact OE1-N 3.38Å
227P97.5Very high97.6Very high38 Ų3851 Ų5125%0.24726%0.261CS..  trans-66.4-18.7-167.3-26.537.2000115.3L198 L222 N223 G231L198-P227 HydrophobicContact CD2-CB 4.44Å; L198-P227 HydrophobicContact CD2-CG 4.18Å; L222-P227 WeakPolarHBondContact CA-O 3.34Å; L222-P227 HydrophobicContact CD1-CB 4.03Å; N223-P227 WeakPolarHBondContact O-CA 3.27Å; P227-G231 VanDerWaalsContact O-CA 3.28Å; P227-G231 WeakPolarHBondContact O-CA 3.31Å; P227-G231 PolarHBondContact O-N 3.14Å
228G98.5Very high97.4Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans61.4-163.1-179.300000113.9E226 V230 G231 A232E226-G228 PolarHBondContact O-N 2.68Å; E226-G228 VanDerWaalsContact OE1-CA 3.28Å; E226-G228 WeakPolarHBondContact OE1-CA 3.43Å; E226-G228 PolarHBondContact OE1-N 3.38Å; G228-V230 PolarHBondContact O-N 2.86Å; G228-G231 PolarHBondContact O-N 2.97Å; G228-A232 PolarHBondContact O-N 3.39Å
229M98.7Very high97.5Very high0 Ų056.4 Ų56.40%028%0.279CS..Hα-helixtrans-61.8-40.8177.6-72-65.4-75.700112.9P170 L191 A196 A201 F212 M219 R220 G231 A232 L233P170-M229 HydrophobicContact CG-CE 4.13Å; P170-M229 HydrophobicContact CG-SD 3.87Å; L191-M229 HydrophobicContact CB-CE 3.73Å; A196-M229 HydrophobicContact CB-CG 4.29Å; A196-M229 HydrophobicContact CB-SD 3.84Å; A201-M229 HydrophobicContact CB-SD 3.78Å; F212-M229 HydrophobicContact CD1-CE 3.77Å; F212-M229 HydrophobicContact CE1-CE 3.65Å; F212-M229 HydrophobicContact CE1-SD 4.2Å; M219-M229 HydrophobicContact CB-CB 3.75Å; M219-M229 HydrophobicContact CB-CG 4.2Å; M219-M229 HydrophobicContact CG-CB 4.12Å; M219-M229 HydrophobicContact SD-CB 4.02Å; R220-M229 HydrophobicContact CB-CB 4.38Å; R220-M229 HydrophobicContact CB-CG 4.3Å; R220-M229 PolarHBondContact O-N 2.94Å; M229-G231 VanDerWaalsContact C-N 3.3Å; M229-G231 PolarHBondContact O-N 3.4Å; M229-A232 WeakPolarHBondContact O-CB 3.27Å; M229-A232 PolarHBondContact O-N 3.08Å; M229-A232 VanDerWaalsContact O-N 3.11Å; M229-L233 PolarHBondContact O-N 3.12Å
230V98.7Very high97.6Very high6 Ų657.4 Ų57.44%0.03628%0.283CS..Hα-helixtrans-64.7-37.1175.1176.60000111.1Y216 M219 R220 L222 G228 A232 L233 L234Y216-V230 HydrophobicContact CD1-CG1 3.84Å; Y216-V230 HydrophobicContact CD1-CG2 4.04Å; Y216-V230 HydrophobicContact CE1-CG1 3.6Å; M219-V230 HydrophobicContact CG-CG2 4.04Å; M219-V230 HydrophobicContact SD-CG2 3.9Å; R220-V230 PolarHBondContact O-N 3.07Å; R220-V230 VanDerWaalsContact O-N 3.11Å; L222-V230 HydrophobicContact CB-CB 4.12Å; L222-V230 HydrophobicContact CB-CG1 3.85Å; G228-V230 PolarHBondContact O-N 2.86Å; V230-A232 VanDerWaalsContact C-N 3.33Å; V230-L233 WeakPolarHBondContact O-CG 3.44Å; V230-L234 HydrophobicContact CG1-CD1 4Å; V230-L234 WeakPolarHBondContact O-CB 3.3Å; V230-L234 WeakPolarHBondContact O-CD1 3.42Å; V230-L234 WeakPolarHBondContact O-CG 2.92Å; V230-L234 PolarHBondContact O-N 2.92Å
231G98.5Very high97.6Very high1 Ų154 Ų541%0.0127%0.27CS..Hα-helixtrans-64.2-38.3171.200000113.1P227 G228 M229 L234 T235P227-G231 VanDerWaalsContact O-CA 3.28Å; P227-G231 WeakPolarHBondContact O-CA 3.31Å; P227-G231 PolarHBondContact O-N 3.14Å; G228-G231 PolarHBondContact O-N 2.97Å; M229-G231 VanDerWaalsContact C-N 3.3Å; M229-G231 PolarHBondContact O-N 3.4Å; G231-L234 PolarHBondContact O-N 2.69Å; G231-T235 WeakPolarHBondContact O-CB 3.39Å; G231-T235 WeakPolarHBondContact O-CG2 3.36Å; G231-T235 PolarHBondContact O-N 3.24Å; G231-T235 VanDerWaalsContact O-N 3.12Å; G231-T235 PolarHBondContact O-OG1 2.97Å
232A98.7Very high97.7Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-62.7-53.1177.900000112L198 A201 F212 G228 M229 V230 L234 T235 L236L198-A232 HydrophobicContact CD1-CB 3.61Å; A201-A232 HydrophobicContact CB-CB 3.61Å; F212-A232 HydrophobicContact CE1-CB 3.9Å; F212-A232 HydrophobicContact CZ-CB 3.73Å; G228-A232 PolarHBondContact O-N 3.39Å; M229-A232 WeakPolarHBondContact O-CB 3.27Å; M229-A232 PolarHBondContact O-N 3.08Å; M229-A232 VanDerWaalsContact O-N 3.11Å; V230-A232 VanDerWaalsContact C-N 3.33Å; A232-L234 PolarHBondContact O-N 3.28Å; A232-T235 PolarHBondContact O-N 2.88Å; A232-T235 VanDerWaalsContact O-N 3.1Å; A232-L236 HydrophobicContact CB-CD1 3.94Å; A232-L236 HydrophobicContact CB-CG 4.35Å; A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.31Å; A232-L236 PolarHBondContact O-N 3.26Å
233L98Very high97.7Very high4 Ų446.7 Ų46.72%0.02122%0.222CC..Hα-helixtrans-62.9-25.1179.269.185.7000113.4F212 A215 M219 M229 V230 L258F212-L233 HydrophobicContact CB-CB 3.99Å; F212-L233 HydrophobicContact CB-CD2 4.32Å; F212-L233 HydrophobicContact CD1-CB 3.84Å; F212-L233 HydrophobicContact CD1-CD2 4.41Å; F212-L233 HydrophobicContact CD2-CB 3.67Å; F212-L233 HydrophobicContact CE1-CB 4.21Å; F212-L233 HydrophobicContact CE2-CB 4.07Å; F212-L233 HydrophobicContact CG-CB 3.55Å; F212-L233 HydrophobicContact CG-CD2 4.47Å; F212-L233 HydrophobicContact CZ-CB 4.32Å; A215-L233 HydrophobicContact CB-CD1 4.32Å; A215-L233 HydrophobicContact CB-CD2 3.8Å; M219-L233 HydrophobicContact CE-CD2 4.23Å; M219-L233 HydrophobicContact SD-CD2 3.55Å; M219-L233 VanDerWaalsContact SD-CD2 3.55Å; M229-L233 PolarHBondContact O-N 3.12Å; V230-L233 WeakPolarHBondContact O-CG 3.44Å; L233-L258 HydrophobicContact CD1-CD1 3.41Å; L233-L258 VanDerWaalsContact CD1-CD1 3.41Å; L233-L258 HydrophobicContact CD1-CD2 4.46Å
234L98.1Very high97.7Very high21 Ų2143.1 Ų43.111%0.1120%0.202CC..Hα-helixtrans-85-17.6177.1-70.5173.1000114.1L222 V230 G231 A232 L258 K261L222-L234 HydrophobicContact CD2-CD1 4.32Å; V230-L234 HydrophobicContact CG1-CD1 4Å; V230-L234 WeakPolarHBondContact O-CB 3.3Å; V230-L234 WeakPolarHBondContact O-CD1 3.42Å; V230-L234 WeakPolarHBondContact O-CG 2.92Å; V230-L234 PolarHBondContact O-N 2.92Å; G231-L234 PolarHBondContact O-N 2.69Å; A232-L234 PolarHBondContact O-N 3.28Å; L234-L258 HydrophobicContact CD2-CD1 3.81Å; L234-K261 HydrophobicContact CB-CG 4.34Å; L234-K261 HydrophobicContact CD2-CB 4.07Å; L234-K261 HydrophobicContact CD2-CG 3.98Å; L234-K261 WeakPolarHBondContact O-CE 3.28Å; L234-K261 WeakPolarHBondContact O-CG 3.27Å
235T97.5Very high97.9Very high71 Ų7135.5 Ų35.544%0.43617%0.167SC..Hα-helixtrans-123.3-32-169.660.20000114.2G231 A232 Q237G231-T235 WeakPolarHBondContact O-CB 3.39Å; G231-T235 WeakPolarHBondContact O-CG2 3.36Å; G231-T235 PolarHBondContact O-N 3.24Å; G231-T235 VanDerWaalsContact O-N 3.12Å; G231-T235 PolarHBondContact O-OG1 2.97Å; A232-T235 PolarHBondContact O-N 2.88Å; A232-T235 VanDerWaalsContact O-N 3.1Å; T235-Q237 PolarHBondContact O-NE2 2.99Å
236L98.3Very high97.9Very high27 Ų2726.7 Ų26.714%0.14114%0.136CC..  trans-67.6144.3176.1-61.6-178.1000110.3L198 Q202 V205 F212 A232 V239L198-L236 HydrophobicContact CD1-CD2 4.3Å; L198-L236 HydrophobicContact CD1-CG 4.31Å; Q202-L236 HydrophobicContact CB-CD1 4.25Å; Q202-L236 HydrophobicContact CB-CD2 4.02Å; Q202-L236 HydrophobicContact CG-CD2 3.94Å; V205-L236 HydrophobicContact CB-CD1 4.23Å; V205-L236 HydrophobicContact CG2-CD1 3.8Å; F212-L236 HydrophobicContact CZ-CD1 4.24Å; A232-L236 HydrophobicContact CB-CD1 3.94Å; A232-L236 HydrophobicContact CB-CG 4.35Å; A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.31Å; A232-L236 PolarHBondContact O-N 3.26Å; L236-V239 HydrophobicContact CB-CG1 4.44Å; L236-V239 HydrophobicContact CB-CG2 4.41Å
237Q94.4Very high98Very high128 Ų12826.4 Ų26.460%0.59814%0.143SC*.SBendtrans-97.1156.8-177.1-58.9-59.6-68.500110.4T235 V239T235-Q237 PolarHBondContact O-NE2 2.99Å; Q237-V239 VanDerWaalsContact C-N 3.25Å; Q237-V239 PolarHBondContact O-N 3.45Å
238H93.6Very high98Very high163 Ų16329 Ų2976%0.75515%0.152SC*.SBendtrans60.830.7176.7-47.6-63.8000114.5
239V98.6Very high98Very high7 Ų729.7 Ų29.74%0.04216%0.155CC..  trans-114.7158.6173.9-61.20000110.3V205 S210 F212 L236 Q237 H266V205-V239 HydrophobicContact CG1-CG1 3.82Å; V205-V239 HydrophobicContact CG2-CG1 3.9Å; S210-V239 CarbonylContact O-C 3.59Å; S210-V239 WeakPolarHBondContact O-CA 3.39Å; F212-V239 HydrophobicContact CD2-CB 4.25Å; F212-V239 HydrophobicContact CD2-CG2 4.24Å; F212-V239 HydrophobicContact CE2-CB 4.11Å; F212-V239 HydrophobicContact CE2-CG1 4.14Å; F212-V239 HydrophobicContact CE2-CG2 4.03Å; L236-V239 HydrophobicContact CB-CG1 4.44Å; L236-V239 HydrophobicContact CB-CG2 4.41Å; Q237-V239 VanDerWaalsContact C-N 3.25Å; Q237-V239 PolarHBondContact O-N 3.45Å; V239-H266 PolarHBondContact O-ND1 3.23Å
240F98.8Very high97.9Very high30 Ų3029.9 Ų29.913%0.13216%0.156CC..EExtended strand (participates in β ladder)trans-109.5149.9170.1-63.3-91.9000109.9S210 V211 F212 D265 H266 V337 V340S210-F240 PolarHBondContact O-N 3.14Å; V211-F240 CarbonylContact C-O 3.6Å; V211-F240 WeakPolarHBondContact CA-O 3.36Å; V211-F240 HydrophobicContact CG2-CB 4.31Å; F212-F240 PolarHBondContact N-O 2.66Å; F240-D265 WeakPolarHBondContact CE1-O 3.48Å; F240-H266 CarbonylContact C-O 3.59Å; F240-H266 VanDerWaalsContact CA-O 3.27Å; F240-H266 WeakPolarHBondContact CA-O 3.45Å; F240-V337 HydrophobicContact CD1-CG1 3.89Å; F240-V337 HydrophobicContact CE1-CG1 4.09Å; F240-V340 HydrophobicContact CE1-CG1 4.43Å; F240-V340 HydrophobicContact CZ-CG1 3.83Å
241S98.9Very high97.9Very high1 Ų135.1 Ų35.11%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-115.7124.8171.4-650000109.9H266 V267 A268S241-H266 PolarHBondContact N-O 2.85Å; S241-V267 CarbonylContact O-C 3.6Å; S241-V267 WeakPolarHBondContact O-CA 3.47Å; S241-A268 PolarHBondContact O-N 3.08Å
242E98.9Very high97.9Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-75.5140.2168.3-73.5-170.715400110.2H58 K165 V211 F212 H214 A215 A268 I270H58-E242 IonicContact CE1-OE2 3.21Å; H58-E242 IonicContact CG-OE2 3.98Å; H58-E242 IonicContact ND1-OE2 3.21Å; H58-E242 PolarHBondContact ND1-OE2 2.93Å; K165-E242 IonicContact NZ-OE1 3.37Å; K165-E242 PolarHBondContact NZ-OE1 3.2Å; K165-E242 IonicContact NZ-OE2 3.73Å; K165-E242 PolarHBondContact NZ-OE2 3.19Å; V211-E242 HydrophobicContact CG1-CG 3.93Å; F212-E242 WeakPolarHBondContact O-CB 3.44Å; F212-E242 PolarHBondContact O-N 3.07Å; H214-E242 CarbonylContact C-O 3.56Å; H214-E242 WeakPolarHBondContact CA-O 3.11Å; A215-E242 WeakPolarHBondContact CB-O 3.32Å; A215-E242 PolarHBondContact N-O 2.8Å; E242-A268 CarbonylContact C-O 3.52Å; E242-A268 VanDerWaalsContact CA-O 3.32Å; E242-A268 WeakPolarHBondContact CA-O 3.42Å; E242-I270 HydrophobicContact CB-CG1 3.76Å; E242-I270 HydrophobicContact CG-CG1 4.17Å; E242-I270 HydrophobicContact CG-CG2 4.14Å
243L98.9Very high97.9Very high0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-141125.7-176.1-168.464.6000111.9A215 Y216 C245 V250 A255 L258 I259 V267 A268 I270A215-L243 HydrophobicContact CB-CD1 4.45Å; Y216-L243 HydrophobicContact CD2-CD1 4.49Å; L243-C245 VanDerWaalsContact CD2-SG 3.54Å; L243-V250 HydrophobicContact CD1-CB 4.22Å; L243-V250 HydrophobicContact CD1-CG1 4.04Å; L243-V250 HydrophobicContact CD1-CG2 4.15Å; L243-V250 HydrophobicContact CG-CG1 4.43Å; L243-A255 HydrophobicContact CD2-CB 3.93Å; L243-L258 HydrophobicContact CD1-CD2 3.99Å; L243-L258 HydrophobicContact CD2-CD2 4.36Å; L243-I259 HydrophobicContact CD2-CD1 4.32Å; L243-I259 HydrophobicContact CD2-CG1 4.41Å; L243-V267 HydrophobicContact CB-CG1 3.76Å; L243-V267 HydrophobicContact CD2-CG1 3.83Å; L243-V267 HydrophobicContact CG-CG1 4.46Å; L243-A268 PolarHBondContact N-O 3.33Å; L243-I270 PolarHBondContact O-N 2.69Å
244I98.8Very high98Very high1 Ų144.2 Ų44.21%0.00523%0.23CC..  trans-93.797.6176-56.4162.1000108.4H214 D246 H249 V250 I270 D272 L310H214-I244 HydrophobicContact CB-CD1 3.71Å; H214-I244 HydrophobicContact CB-CG1 4.25Å; I244-D246 HydrophobicContact CG2-CB 4.46Å; I244-D246 PolarHBondContact O-N 2.73Å; I244-H249 HydrophobicContact CB-CB 3.8Å; I244-H249 HydrophobicContact CD1-CB 4.28Å; I244-H249 HydrophobicContact CG2-CB 3.88Å; I244-V250 VanDerWaalsContact O-CG1 3.28Å; I244-V250 WeakPolarHBondContact O-CG1 3.12Å; I244-I270 HydrophobicContact CD1-CD1 4.17Å; I244-I270 HydrophobicContact CG1-CD1 3.44Å; I244-I270 VanDerWaalsContact CG1-CD1 3.44Å; I244-D272 HydrophobicContact CD1-CB 3.54Å; I244-D272 HydrophobicContact CG1-CB 4.06Å; I244-L310 HydrophobicContact CG2-CD2 3.84Å
245C98.7Very high98Very high0 Ų043.2 Ų43.20%023%0.225CC..  trans-90.565.9-177-740000112.7L243 L269 A315 N318 V319 W322L243-C245 VanDerWaalsContact CD2-SG 3.54Å; C245-L269 HydrophobicContact CB-CD2 3.94Å; C245-L269 WeakPolarHBondContact SG-CD2 3.28Å; C245-A315 HydrophobicContact CB-CB 4.28Å; C245-N318 PolarHBondContact O-ND2 2.92Å; C245-V319 HydrophobicContact CB-CG1 3.81Å; C245-V319 WeakPolarHBondContact SG-CG1 3.01Å; C245-W322 HydrophobicContact CB-CH2 3.98Å; C245-W322 HydrophobicContact CB-CZ3 3.8Å
246D98.2Very high98.1Very high23 Ų2343.2 Ų43.212%0.12322%0.22CC..SBendtrans-106.5-6.8174.967.2-3.3000114.2I244 H248 H249 L310I244-D246 HydrophobicContact CG2-CB 4.46Å; I244-D246 PolarHBondContact O-N 2.73Å; D246-H248 VanDerWaalsContact C-N 3.25Å; D246-H248 PolarHBondContact O-N 3.31Å; D246-H248 WeakPolarHBondContact OD1-CA 3.45Å; D246-H248 PolarHBondContact OD1-N 3.12Å; D246-H248 IonicContact OD2-CD2 3.9Å; D246-H249 IonicContact OD1-CG 3.09Å; D246-H249 PolarHBondContact OD1-N 2.78Å; D246-H249 IonicContact OD1-ND1 3.23Å; D246-H249 PolarHBondContact OD1-ND1 3.27Å; D246-H249 IonicContact OD2-CE1 3.66Å; D246-H249 PolarHBondContact OD2-CE1 3.2Å; D246-H249 IonicContact OD2-CG 3.71Å; D246-H249 IonicContact OD2-ND1 3.54Å; D246-H249 PolarHBondContact OD2-ND1 3.47Å; D246-L310 HydrophobicContact CB-CB 4.36Å; D246-L310 HydrophobicContact CB-CD1 3.95Å; D246-L310 HydrophobicContact CB-CD2 4.14Å; D246-L310 HydrophobicContact CB-CG 4.38Å
247G97.9Very high98.1Very high33 Ų3345.7 Ų45.734%0.3424%0.236SC..SBendtrans81.6-0.1-176.200000114.4V250G247-V250 CarbonylContact C-O 3.46Å; G247-V250 WeakPolarHBondContact CA-O 2.96Å
248H97.3Very high98.3Very high92 Ų9239.6 Ų39.643%0.42621%0.208SC..SBendtrans-111.4-46.1179.1-58.3-63.7000112D246 T297D246-H248 VanDerWaalsContact C-N 3.25Å; D246-H248 PolarHBondContact O-N 3.31Å; D246-H248 WeakPolarHBondContact OD1-CA 3.45Å; D246-H248 PolarHBondContact OD1-N 3.12Å; D246-H248 IonicContact OD2-CD2 3.9Å; H248-T297 HydrophobicContact CB-CG2 3.71Å
249H97.6Very high98.5Very high15 Ų1532.4 Ų32.47%0.06918%0.175CC..SBendtrans-75.2-28.2175.3-73.582.8000112.2N217 I244 D246 G307N217-H249 PolarHBondContact ND2-O 3.29Å; N217-H249 VanDerWaalsContact ND2-O 3.09Å; N217-H249 PolarHBondContact OD1-O 3.13Å; I244-H249 HydrophobicContact CB-CB 3.8Å; I244-H249 HydrophobicContact CD1-CB 4.28Å; I244-H249 HydrophobicContact CG2-CB 3.88Å; D246-H249 IonicContact OD1-CG 3.09Å; D246-H249 PolarHBondContact OD1-N 2.78Å; D246-H249 IonicContact OD1-ND1 3.23Å; D246-H249 PolarHBondContact OD1-ND1 3.27Å; D246-H249 IonicContact OD2-CE1 3.66Å; D246-H249 PolarHBondContact OD2-CE1 3.2Å; D246-H249 IonicContact OD2-CG 3.71Å; D246-H249 IonicContact OD2-ND1 3.54Å; D246-H249 PolarHBondContact OD2-ND1 3.47Å; H249-G307 PolarHBondContact CE1-O 3.36Å; H249-G307 VanDerWaalsContact CE1-O 3.22Å; H249-G307 PolarHBondContact NE2-O 2.95Å; H249-G307 VanDerWaalsContact NE2-O 3.16Å
250V98.3Very high98.5Very high4 Ų439.3 Ų39.32%0.02421%0.206CC..SBendtrans-141.8134.9174.772.60000109.9Y216 L243 I244 G247 A254 A255Y216-V250 HydrophobicContact CD2-CG2 3.67Å; Y216-V250 HydrophobicContact CE2-CG2 3.99Å; L243-V250 HydrophobicContact CD1-CB 4.22Å; L243-V250 HydrophobicContact CD1-CG1 4.04Å; L243-V250 HydrophobicContact CD1-CG2 4.15Å; L243-V250 HydrophobicContact CG-CG1 4.43Å; I244-V250 VanDerWaalsContact O-CG1 3.28Å; I244-V250 WeakPolarHBondContact O-CG1 3.12Å; G247-V250 CarbonylContact C-O 3.46Å; G247-V250 WeakPolarHBondContact CA-O 2.96Å; V250-A254 HydrophobicContact CG2-CB 3.84Å; V250-A255 HydrophobicContact CG1-CB 3.99Å; V250-A255 HydrophobicContact CG2-CB 4.08Å
251H98.6Very high98.4Very high117 Ų11743.6 Ų43.654%0.54223%0.225SC..  trans-70.4139.1169.4-174.4-91.1000109.3Q253 A254 A255H251-Q253 PolarHBondContact ND1-N 3.48Å; H251-Q253 PolarHBondContact O-N 2.8Å; H251-Q253 VanDerWaalsContact O-N 3.07Å; H251-A254 HydrophobicContact CB-CB 4.43Å; H251-A254 WeakPolarHBondContact O-CA 3.25Å; H251-A254 WeakPolarHBondContact O-CB 3.32Å; H251-A254 PolarHBondContact O-N 2.87Å; H251-A255 PolarHBondContact O-N 2.87Å
252P98.7Very high98.3Very high33 Ų3344.9 Ų44.921%0.21424%0.236CC..Hα-helixtrans-52.1-37.6-177.2-31.136.8000114.6A254 A255 E256 W322P252-A254 PolarHBondContact O-N 3.33Å; P252-A255 WeakPolarHBondContact O-CB 3.41Å; P252-A255 PolarHBondContact O-N 3.42Å; P252-E256 WeakPolarHBondContact O-CB 3.37Å; P252-E256 PolarHBondContact O-N 2.87Å; P252-W322 HydrophobicContact CB-CB 4.35Å; P252-W322 HydrophobicContact CB-CD2 3.78Å; P252-W322 HydrophobicContact CB-CE3 3.94Å; P252-W322 HydrophobicContact CB-CG 3.97Å; P252-W322 HydrophobicContact CG-CD2 3.76Å; P252-W322 HydrophobicContact CG-CE3 4.14Å; P252-W322 HydrophobicContact CG-CG 4.15Å; P252-W322 HydrophobicContact CG-CH2 4.38Å; P252-W322 HydrophobicContact CG-CZ2 4.04Å; P252-W322 HydrophobicContact CG-CZ3 4.43Å
253Q98.6Very high98.2Very high131 Ų13145.8 Ų45.861%0.61225%0.245SC*.Hα-helixtrans-69.9-29.5176.2-65-179.5-37.500113.8H251 V257H251-Q253 PolarHBondContact ND1-N 3.48Å; H251-Q253 PolarHBondContact O-N 2.8Å; H251-Q253 VanDerWaalsContact O-N 3.07Å; Q253-V257 WeakPolarHBondContact O-CG2 3.31Å; Q253-V257 PolarHBondContact O-N 3.2Å; Q253-V257 VanDerWaalsContact O-N 3.12Å
254A98.7Very high98.1Very high31 Ų3149 Ų4926%0.25626%0.26SS..Hα-helixtrans-73.4-40.3173.600000110.3Y216 V250 H251 P252 E256 V257 L258Y216-A254 HydrophobicContact CE2-CB 4.18Å; Y216-A254 PolarHBondContact OH-O 2.79Å; V250-A254 HydrophobicContact CG2-CB 3.84Å; H251-A254 HydrophobicContact CB-CB 4.43Å; H251-A254 WeakPolarHBondContact O-CA 3.25Å; H251-A254 WeakPolarHBondContact O-CB 3.32Å; H251-A254 PolarHBondContact O-N 2.87Å; P252-A254 PolarHBondContact O-N 3.33Å; A254-E256 VanDerWaalsContact C-N 3.32Å; A254-E256 PolarHBondContact O-N 2.82Å; A254-V257 PolarHBondContact O-N 3.23Å; A254-L258 PolarHBondContact O-N 3.18Å; A254-L258 VanDerWaalsContact O-N 3.1Å
255A98.8Very high98Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-58.2-44.417100000111.6L243 V250 H251 P252 V257 L258 I259 I324L243-A255 HydrophobicContact CD2-CB 3.93Å; V250-A255 HydrophobicContact CG1-CB 3.99Å; V250-A255 HydrophobicContact CG2-CB 4.08Å; H251-A255 PolarHBondContact O-N 2.87Å; P252-A255 WeakPolarHBondContact O-CB 3.41Å; P252-A255 PolarHBondContact O-N 3.42Å; A255-V257 PolarHBondContact O-N 2.89Å; A255-L258 PolarHBondContact O-N 3.19Å; A255-I259 WeakPolarHBondContact O-CB 3.28Å; A255-I259 VanDerWaalsContact O-CG1 3.27Å; A255-I259 WeakPolarHBondContact O-CG1 3.42Å; A255-I259 PolarHBondContact O-N 3.3Å; A255-I324 HydrophobicContact CB-CD1 3.78Å
256E98.7Very high98Very high72 Ų7255.5 Ų55.534%0.33629%0.293SS..Hα-helixtrans-57.1-50175.8-169173.1-148.700111.8P252 A254 L258 I259 E260 I324P252-E256 WeakPolarHBondContact O-CB 3.37Å; P252-E256 PolarHBondContact O-N 2.87Å; A254-E256 VanDerWaalsContact C-N 3.32Å; A254-E256 PolarHBondContact O-N 2.82Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 3.47Å; E256-I259 PolarHBondContact O-N 3.25Å; E256-E260 HydrophobicContact CG-CG 4.38Å; E256-E260 WeakPolarHBondContact O-CB 3.32Å; E256-E260 WeakPolarHBondContact O-CG 3.33Å; E256-E260 PolarHBondContact O-N 3.45Å; E256-I324 HydrophobicContact CB-CB 4.24Å; E256-I324 HydrophobicContact CB-CG2 3.76Å; E256-I324 HydrophobicContact CG-CB 4.21Å; E256-I324 HydrophobicContact CG-CG2 3.79Å
257V98.7Very high98Very high79 Ų7954.4 Ų54.448%0.47929%0.287SS..Hα-helixtrans-56.3-43.7177.6168.50000111.5Q253 A254 A255 K261Q253-V257 WeakPolarHBondContact O-CG2 3.31Å; Q253-V257 PolarHBondContact O-N 3.2Å; Q253-V257 VanDerWaalsContact O-N 3.12Å; A254-V257 PolarHBondContact O-N 3.23Å; A255-V257 PolarHBondContact O-N 2.89Å; V257-K261 WeakPolarHBondContact O-CB 3.36Å; V257-K261 PolarHBondContact O-N 2.8Å
258L98.6Very high98Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-65-49.5177.2177.357.3000111.7A215 Y216 L233 L234 L243 A254 A255 E256 E260 K261 A262 V267A215-L258 HydrophobicContact CB-CD2 3.59Å; Y216-L258 HydrophobicContact CE2-CB 4.08Å; Y216-L258 HydrophobicContact CE2-CD2 4.12Å; L233-L258 HydrophobicContact CD1-CD1 3.41Å; L233-L258 VanDerWaalsContact CD1-CD1 3.41Å; L233-L258 HydrophobicContact CD1-CD2 4.46Å; L234-L258 HydrophobicContact CD2-CD1 3.81Å; L243-L258 HydrophobicContact CD1-CD2 3.99Å; L243-L258 HydrophobicContact CD2-CD2 4.36Å; A254-L258 PolarHBondContact O-N 3.18Å; A254-L258 VanDerWaalsContact O-N 3.1Å; A255-L258 PolarHBondContact O-N 3.19Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 3.47Å; L258-E260 PolarHBondContact O-N 3.06Å; L258-K261 PolarHBondContact O-N 2.88Å; L258-A262 HydrophobicContact CD1-CB 4.08Å; L258-A262 VanDerWaalsContact O-CB 3.28Å; L258-A262 WeakPolarHBondContact O-CB 3.36Å; L258-A262 PolarHBondContact O-N 3.5Å; L258-V267 HydrophobicContact CG-CG2 4.11Å
259I98.6Very high98.1Very high12 Ų1248.5 Ų48.56%0.06225%0.251CS..Hα-helixtrans-62.8-43.1-177.1-69166.7000111L243 A255 E256 K261 G263 H264 V267 I324 M333L243-I259 HydrophobicContact CD2-CD1 4.32Å; L243-I259 HydrophobicContact CD2-CG1 4.41Å; A255-I259 WeakPolarHBondContact O-CB 3.28Å; A255-I259 VanDerWaalsContact O-CG1 3.27Å; A255-I259 WeakPolarHBondContact O-CG1 3.42Å; A255-I259 PolarHBondContact O-N 3.3Å; E256-I259 PolarHBondContact O-N 3.25Å; I259-K261 VanDerWaalsContact C-N 3.34Å; I259-G263 CarbonylContact O-C 3.58Å; I259-G263 VanDerWaalsContact O-CA 3.24Å; I259-G263 WeakPolarHBondContact O-CA 3.41Å; I259-G263 PolarHBondContact O-N 3.12Å; I259-H264 HydrophobicContact CG2-CB 4.31Å; I259-V267 HydrophobicContact CG1-CB 4.44Å; I259-V267 HydrophobicContact CG1-CG1 4.26Å; I259-V267 HydrophobicContact CG1-CG2 4.22Å; I259-I324 HydrophobicContact CD1-CD1 3.77Å; I259-I324 HydrophobicContact CD1-CG1 4.16Å; I259-M333 HydrophobicContact CD1-CE 3.81Å; I259-M333 HydrophobicContact CD1-SD 4.46Å; I259-M333 HydrophobicContact CG1-CE 3.98Å
260E97.9Very high98.2Very high151 Ų15147.8 Ų47.871%0.70625%0.248SC*.Hα-helixtrans-65.8-38.2176-72.3-166.3148.900112E256 L258E256-E260 HydrophobicContact CG-CG 4.38Å; E256-E260 WeakPolarHBondContact O-CB 3.32Å; E256-E260 WeakPolarHBondContact O-CG 3.33Å; E256-E260 PolarHBondContact O-N 3.45Å; L258-E260 PolarHBondContact O-N 3.06Å
261K97.7Very high98.2Very high120 Ų12047.6 Ų47.652%0.52225%0.247SC..Hα-helixtrans-78.8-45.5-175.2178.556.9-166.9161.30113.1L234 V257 L258 I259L234-K261 HydrophobicContact CB-CG 4.34Å; L234-K261 HydrophobicContact CD2-CB 4.07Å; L234-K261 HydrophobicContact CD2-CG 3.98Å; L234-K261 WeakPolarHBondContact O-CE 3.28Å; L234-K261 WeakPolarHBondContact O-CG 3.27Å; V257-K261 WeakPolarHBondContact O-CB 3.36Å; V257-K261 PolarHBondContact O-N 2.8Å; L258-K261 PolarHBondContact O-N 2.88Å; I259-K261 VanDerWaalsContact C-N 3.34Å
262A96.7Very high98.2Very high29 Ų2942.6 Ų42.624%0.2422%0.224CC..Hα-helixtrans-80.8-32-178.500000111.9L258 H266 V267L258-A262 HydrophobicContact CD1-CB 4.08Å; L258-A262 VanDerWaalsContact O-CB 3.28Å; L258-A262 WeakPolarHBondContact O-CB 3.36Å; L258-A262 PolarHBondContact O-N 3.5Å; A262-H266 HydrophobicContact CB-CB 4.23Å; A262-H266 WeakPolarHBondContact O-CB 3.12Å; A262-V267 HydrophobicContact CB-CG2 4.03Å
263G97.2Very high98.2Very high19 Ų1941 Ų4120%0.19621%0.214CC..  trans92.8140.1-166.100000110.8I259 D265 H266 V267I259-G263 CarbonylContact O-C 3.58Å; I259-G263 VanDerWaalsContact O-CA 3.24Å; I259-G263 WeakPolarHBondContact O-CA 3.41Å; I259-G263 PolarHBondContact O-N 3.12Å; G263-D265 PolarHBondContact O-N 3.05Å; G263-H266 PolarHBondContact O-N 2.79Å; G263-V267 PolarHBondContact O-N 3.44Å
264H95.6Very high98.2Very high66 Ų6634.8 Ų34.831%0.30619%0.185SC..G310 helixtrans-61.8-21.9178.261.778.1000112.9I259 H266 Q329 M333I259-H264 HydrophobicContact CG2-CB 4.31Å; H264-H266 PolarHBondContact O-N 2.86Å; H264-Q329 HydrophobicContact CB-CB 4.14Å; H264-Q329 HydrophobicContact CB-CG 4.22Å; H264-Q329 PolarHBondContact CD2-NE2 3.26Å; H264-Q329 PolarHBondContact NE2-NE2 3.46Å; H264-M333 HydrophobicContact CB-CG 4.15Å; H264-M333 HydrophobicContact CB-SD 3.87Å; H264-M333 WeakPolarHBondContact O-CG 3.33Å
265D96.7Very high98.1Very high86 Ų8634.3 Ų34.346%0.4618%0.177SC..G310 helixtrans-78.4-5.617456.6-21.9000113.5F240 G263F240-D265 WeakPolarHBondContact CE1-O 3.48Å; G263-D265 PolarHBondContact O-N 3.05Å
266H98.5Very high98.1Very high53 Ų5334.4 Ų34.425%0.24518%0.178CC..G310 helixtrans-117.87.9176.2-76.1-85.1000113.4V239 F240 S241 A262 G263 H264V239-H266 PolarHBondContact O-ND1 3.23Å; F240-H266 CarbonylContact C-O 3.59Å; F240-H266 VanDerWaalsContact CA-O 3.27Å; F240-H266 WeakPolarHBondContact CA-O 3.45Å; S241-H266 PolarHBondContact N-O 2.85Å; A262-H266 HydrophobicContact CB-CB 4.23Å; A262-H266 WeakPolarHBondContact O-CB 3.12Å; G263-H266 PolarHBondContact O-N 2.79Å; H264-H266 PolarHBondContact O-N 2.86Å
267V98.8Very high98.1Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-117.7114.2176.5-177.90000110.1S241 L243 L258 I259 A262 G263 M333 V337S241-V267 CarbonylContact O-C 3.6Å; S241-V267 WeakPolarHBondContact O-CA 3.47Å; L243-V267 HydrophobicContact CB-CG1 3.76Å; L243-V267 HydrophobicContact CD2-CG1 3.83Å; L243-V267 HydrophobicContact CG-CG1 4.46Å; L258-V267 HydrophobicContact CG-CG2 4.11Å; I259-V267 HydrophobicContact CG1-CB 4.44Å; I259-V267 HydrophobicContact CG1-CG1 4.26Å; I259-V267 HydrophobicContact CG1-CG2 4.22Å; A262-V267 HydrophobicContact CB-CG2 4.03Å; G263-V267 PolarHBondContact O-N 3.44Å; V267-M333 HydrophobicContact CB-CE 3.75Å; V267-M333 HydrophobicContact CG1-CE 3.5Å; V267-M333 WeakPolarHBondContact O-CB 3.34Å; V267-M333 WeakPolarHBondContact O-CG 3.49Å; V267-V337 WeakPolarHBondContact O-CG1 3.35Å
268A98.9Very high98Very high0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-94.3118.3176.900000109.8S241 E242 L243 I270 V337 P338S241-A268 PolarHBondContact O-N 3.08Å; E242-A268 CarbonylContact C-O 3.52Å; E242-A268 VanDerWaalsContact CA-O 3.32Å; E242-A268 WeakPolarHBondContact CA-O 3.42Å; L243-A268 PolarHBondContact N-O 3.33Å; A268-I270 PolarHBondContact O-N 3.29Å; A268-V337 HydrophobicContact CB-CG1 4.19Å; A268-P338 HydrophobicContact CB-CB 4.12Å
269L98.9Very high98Very high0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-71.5127.3168.7-65.8175.8000108.7C245 L312 A315 I316 V319 M333 A334C245-L269 HydrophobicContact CB-CD2 3.94Å; C245-L269 WeakPolarHBondContact SG-CD2 3.28Å; L269-L312 HydrophobicContact CB-CD1 3.99Å; L269-A315 HydrophobicContact CB-CB 4.38Å; L269-A315 HydrophobicContact CD1-CB 4.2Å; L269-I316 HydrophobicContact CD1-CG2 4.19Å; L269-V319 HydrophobicContact CD1-CG2 4.28Å; L269-V319 HydrophobicContact CD2-CG1 4.26Å; L269-M333 HydrophobicContact CD1-CB 3.96Å; L269-M333 HydrophobicContact CD1-CE 4.44Å; L269-M333 HydrophobicContact CD2-CE 3.94Å; L269-M333 HydrophobicContact CG-CB 3.89Å; L269-M333 HydrophobicContact CG-CE 3.97Å; L269-M333 PolarHBondContact N-O 3.18Å; L269-A334 HydrophobicContact CB-CB 4.18Å; L269-A334 HydrophobicContact CD1-CB 4.16Å
270I98.9Very high97.9Very high0 Ų035.2 Ų35.20%019%0.191CC..  trans-132.9168.3173.860.881.8000109.6T57 H58 E242 L243 I244 A268 D272T57-I270 WeakPolarHBondContact OG1-CG2 3.44Å; H58-I270 HydrophobicContact CB-CB 3.8Å; H58-I270 HydrophobicContact CB-CD1 3.97Å; H58-I270 HydrophobicContact CB-CG1 3.95Å; H58-I270 HydrophobicContact CB-CG2 3.99Å; E242-I270 HydrophobicContact CB-CG1 3.76Å; E242-I270 HydrophobicContact CG-CG1 4.17Å; E242-I270 HydrophobicContact CG-CG2 4.14Å; L243-I270 PolarHBondContact O-N 2.69Å; I244-I270 HydrophobicContact CD1-CD1 4.17Å; I244-I270 HydrophobicContact CG1-CD1 3.44Å; I244-I270 VanDerWaalsContact CG1-CD1 3.44Å; A268-I270 PolarHBondContact O-N 3.29Å; I270-D272 HydrophobicContact CD1-CB 3.84Å
271T98.8Very high97.9Very high1 Ų133.1 Ų33.11%0.00619%0.185CC..  trans-97.9-37.9178.862.80000113.2D56 H58 C273 S308 L310 L312D56-T271 PolarHBondContact OD1-N 2.79Å; D56-T271 PolarHBondContact OD1-OG1 3.36Å; D56-T271 WeakPolarHBondContact OD2-CB 3.34Å; D56-T271 WeakPolarHBondContact OD2-CG2 3.19Å; D56-T271 PolarHBondContact OD2-OG1 3.34Å; H58-T271 PolarHBondContact O-OG1 2.99Å; T271-C273 PolarHBondContact O-N 2.87Å; T271-C273 VanDerWaalsContact OG1-CB 3.29Å; T271-C273 WeakPolarHBondContact OG1-CB 3.35Å; T271-C273 PolarHBondContact OG1-N 2.95Å; T271-S308 VanDerWaalsContact O-CB 3.3Å; T271-S308 WeakPolarHBondContact O-CB 3.38Å; T271-S308 PolarHBondContact O-OG 3.22Å; T271-L310 WeakPolarHBondContact CB-O 3.44Å; T271-L310 HydrophobicContact CG2-CG 4.43Å; T271-L310 VanDerWaalsContact CG2-O 3.23Å; T271-L310 WeakPolarHBondContact CG2-O 3.37Å; T271-L312 HydrophobicContact CG2-CB 3.83Å; T271-L312 HydrophobicContact CG2-CD1 4.23Å
272D98.3Very high97.9Very high12 Ų1228.6 Ų28.66%0.06417%0.172CC..  trans52.832.8-163.2-169.515.1000110.4H58 H60 H214 I244 I270 M274 G307 S308H58-D272 IonicContact CD2-OD1 3.44Å; H58-D272 IonicContact NE2-OD1 2.85Å; H58-D272 WeakPolarHBondContact O-CA 3.43Å; H58-D272 PolarHBondContact O-N 3.21Å; H60-D272 IonicContact CD2-OD1 3.94Å; H60-D272 PolarHBondContact CD2-OD1 3.49Å; H60-D272 IonicContact NE2-OD1 3.56Å; H60-D272 PolarHBondContact NE2-OD1 2.99Å; H214-D272 IonicContact CD2-OD2 2.74Å; I244-D272 HydrophobicContact CD1-CB 3.54Å; I244-D272 HydrophobicContact CG1-CB 4.06Å; I270-D272 HydrophobicContact CD1-CB 3.84Å; D272-M274 PolarHBondContact O-N 3.1Å; D272-G307 CarbonylContact O-C 3.49Å; D272-G307 VanDerWaalsContact O-CA 3.27Å; D272-G307 WeakPolarHBondContact O-CA 3.35Å; D272-S308 PolarHBondContact O-N 3.22Å
273C98.7Very high97.9Very high0 Ų033.7 Ų33.70%020%0.196CC..BIsolated β-bridgetrans-72131.8-170.6-168.40000110.7I59 H60 G61 T271 G277 S308I59-C273 HydrophobicContact CD1-CB 3.95Å; I59-C273 HydrophobicContact CG1-CB 4.02Å; H60-C273 WeakPolarHBondContact CA-O 3.07Å; H60-C273 WeakPolarHBondContact CB-O 3.18Å; H60-C273 PolarHBondContact N-O 3.19Å; G61-C273 PolarHBondContact N-O 2.66Å; G61-C273 CarbonylContact O-C 3.6Å; T271-C273 PolarHBondContact O-N 2.87Å; T271-C273 VanDerWaalsContact OG1-CB 3.29Å; T271-C273 WeakPolarHBondContact OG1-CB 3.35Å; T271-C273 PolarHBondContact OG1-N 2.95Å; C273-G277 WeakPolarHBondContact SG-CA 3.48Å; C273-S308 CarbonylContact C-O 3.46Å; C273-S308 VanDerWaalsContact CA-O 3.3Å; C273-S308 WeakPolarHBondContact CA-O 3.15Å
274M98Very high97.9Very high0 Ų034.2 Ų34.20%019%0.192CC..  trans-97.6169.6174.364.877.567.800111.7G61 D272 A276 G277 N285 L286 V291 V293 A298 S308 I309G61-M274 CarbonylContact C-O 3.59Å; G61-M274 CarbonylContact O-C 3.17Å; G61-M274 VanDerWaalsContact O-O 3.14Å; D272-M274 PolarHBondContact O-N 3.1Å; M274-A276 HydrophobicContact CE-CB 4.28Å; M274-A276 PolarHBondContact O-N 3.5Å; M274-A276 HydrophobicContact SD-CB 3.31Å; M274-A276 WeakPolarHBondContact SD-CB 3.38Å; M274-A276 PolarHBondContact SD-N 2.95Å; M274-G277 PolarHBondContact O-N 2.86Å; M274-N285 WeakPolarHBondContact CE-O 3.48Å; M274-L286 HydrophobicContact CB-CD1 3.73Å; M274-L286 HydrophobicContact CE-CB 4.26Å; M274-V291 HydrophobicContact CE-CB 4.07Å; M274-V291 HydrophobicContact CE-CG1 4.01Å; M274-V291 HydrophobicContact CE-CG2 4.32Å; M274-V293 HydrophobicContact SD-CG2 4.5Å; M274-A298 HydrophobicContact CG-CB 4.03Å; M274-A298 HydrophobicContact SD-CB 4.21Å; M274-S308 WeakPolarHBondContact CG-O 3.48Å; M274-S308 PolarHBondContact N-O 3.5Å; M274-I309 HydrophobicContact SD-CG2 4.41Å
275M98Very high97.9Very high21 Ų2135 Ų3510%0.10320%0.198CC..THydrogen-bonded Turntrans-47.1-30.1-169.974.7-177.9-55.100115.7K63 N64 H65 D66 G277 Y284 N285K63-M275 PolarHBondContact N-O 3.47Å; N64-M275 VanDerWaalsContact CA-O 3.31Å; N64-M275 WeakPolarHBondContact CA-O 3.39Å; N64-M275 PolarHBondContact N-O 2.97Å; N64-M275 WeakPolarHBondContact O-CE 3.13Å; H65-M275 WeakPolarHBondContact O-CB 3.15Å; D66-M275 HydrophobicContact CB-CB 4.17Å; M275-G277 PolarHBondContact O-N 2.87Å; M275-Y284 HydrophobicContact CG-CD1 4.25Å; M275-Y284 HydrophobicContact SD-CD1 4.48Å; M275-N285 WeakPolarHBondContact CG-O 3.49Å; M275-N285 HydrophobicContact SD-CB 4.39Å
276A97.9Very high97.8Very high1 Ų131 Ų311%0.00818%0.177CC..THydrogen-bonded Turntrans-73.7-5.7179.200000114.2M274 G278 M279 Y284 V293 I309M274-A276 HydrophobicContact CE-CB 4.28Å; M274-A276 PolarHBondContact O-N 3.5Å; M274-A276 HydrophobicContact SD-CB 3.31Å; M274-A276 WeakPolarHBondContact SD-CB 3.38Å; M274-A276 PolarHBondContact SD-N 2.95Å; A276-G278 PolarHBondContact O-N 3.36Å; A276-M279 WeakPolarHBondContact O-CA 3.31Å; A276-M279 VanDerWaalsContact O-CB 3.26Å; A276-M279 WeakPolarHBondContact O-CB 3.35Å; A276-M279 PolarHBondContact O-N 3.34Å; A276-Y284 HydrophobicContact CB-CD1 3.9Å; A276-Y284 HydrophobicContact CB-CD2 3.46Å; A276-Y284 VanDerWaalsContact CB-CD2 3.46Å; A276-Y284 HydrophobicContact CB-CE1 4.09Å; A276-Y284 HydrophobicContact CB-CE2 3.65Å; A276-Y284 HydrophobicContact CB-CG 3.59Å; A276-V293 HydrophobicContact CB-CG2 3.57Å; A276-I309 HydrophobicContact CB-CG2 4.11Å
277G97.9Very high97.4Very high0 Ų030.1 Ų30.10%018%0.182CC..THydrogen-bonded Turntrans-50124.517100000111.6Y62 K63 C273 M274 M275 M279Y62-G277 VanDerWaalsContact CD2-C 3.49Å; Y62-G277 WeakPolarHBondContact CD2-O 3.35Å; K63-G277 PolarHBondContact N-O 2.9Å; C273-G277 WeakPolarHBondContact SG-CA 3.48Å; M274-G277 PolarHBondContact O-N 2.86Å; M275-G277 PolarHBondContact O-N 2.87Å; G277-M279 PolarHBondContact O-N 2.87Å
278G97.1Very high97Very high23 Ų2335.6 Ų35.624%0.23721%0.207CC..THydrogen-bonded Turntrans71.59.9-177.600000115K63 A276K63-G278 WeakPolarHBondContact CE-O 3.5Å; K63-G278 PolarHBondContact NZ-O 3.31Å; A276-G278 PolarHBondContact O-N 3.36Å
279M98.1Very high96.7Very high64 Ų6438 Ų3832%0.31522%0.218SC..SBendtrans-104.9160.5172.3-58.5-62.1-64.300111.2K63 N64 A276 G277 Y284K63-M279 HydrophobicContact CD-SD 4.13Å; N64-M279 HydrophobicContact CB-CE 3.85Å; N64-M279 HydrophobicContact CB-CG 4.01Å; N64-M279 HydrophobicContact CB-SD 3.89Å; A276-M279 WeakPolarHBondContact O-CA 3.31Å; A276-M279 VanDerWaalsContact O-CB 3.26Å; A276-M279 WeakPolarHBondContact O-CB 3.35Å; A276-M279 PolarHBondContact O-N 3.34Å; G277-M279 PolarHBondContact O-N 2.87Å; M279-Y284 HydrophobicContact CB-CE1 4.07Å; M279-Y284 WeakPolarHBondContact CB-OH 3.31Å; M279-Y284 HydrophobicContact CG-CE1 4.32Å
280P97.7Very high96.6Very high94 Ų9441.2 Ų41.261%0.6124%0.239SC*.  trans-65.4160.6172.5-1932.7000112.7Y284P280-Y284 WeakPolarHBondContact O-CE2 3.36Å; P280-Y284 PolarHBondContact O-OH 3.2Å
281D97.8Very high96.5Very high106 Ų10641.3 Ų41.357%0.56724%0.239SC*.SBendtrans-50.1141.4167.8-71.611.9000111.4V293D281-V293 WeakPolarHBondContact CA-O 3.36Å; D281-V293 VanDerWaalsContact CB-O 3.3Å; D281-V293 WeakPolarHBondContact CB-O 3.35Å
282G97.6Very high96.4Very high25 Ų2544.4 Ų44.426%0.25826%0.258SS..EExtended strand (participates in β ladder)trans165.1-166.1-172.300000114.2V293G282-V293 PolarHBondContact N-O 3.11Å; G282-V293 PolarHBondContact O-N 3.26Å
283N97.4Very high96.4Very high137 Ų13743.9 Ų43.973%0.73326%0.255SS*.EExtended strand (participates in β ladder)trans-103.8130.2177.2-57.6-64.6000109.7
284Y97.4Very high96.3Very high30 Ų3045.8 Ų45.812%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-138.7-174.8-177.9-61.8-86.9000109.4N64 M275 A276 M279 P280 V291 V293N64-Y284 WeakPolarHBondContact OD1-CE1 3.33Å; M275-Y284 HydrophobicContact CG-CD1 4.25Å; M275-Y284 HydrophobicContact SD-CD1 4.48Å; A276-Y284 HydrophobicContact CB-CD1 3.9Å; A276-Y284 HydrophobicContact CB-CD2 3.46Å; A276-Y284 VanDerWaalsContact CB-CD2 3.46Å; A276-Y284 HydrophobicContact CB-CE1 4.09Å; A276-Y284 HydrophobicContact CB-CE2 3.65Å; A276-Y284 HydrophobicContact CB-CG 3.59Å; M279-Y284 HydrophobicContact CB-CE1 4.07Å; M279-Y284 WeakPolarHBondContact CB-OH 3.31Å; M279-Y284 HydrophobicContact CG-CE1 4.32Å; P280-Y284 WeakPolarHBondContact O-CE2 3.36Å; P280-Y284 PolarHBondContact O-OH 3.2Å; Y284-V291 PolarHBondContact N-O 2.91Å; Y284-V291 PolarHBondContact O-N 3.42Å; Y284-V293 HydrophobicContact CD2-CB 4.16Å; Y284-V293 HydrophobicContact CD2-CG2 3.69Å; Y284-V293 HydrophobicContact CE2-CB 4.18Å; Y284-V293 HydrophobicContact CE2-CG2 4.12Å
285N95.4Very high96.1Very high82 Ų8254.1 Ų54.144%0.43931%0.31SS..EExtended strand (participates in β ladder)trans-124.1153169.3-61.1-50.2000110.2M274 M275 F289M274-N285 WeakPolarHBondContact CE-O 3.48Å; M275-N285 WeakPolarHBondContact CG-O 3.49Å; M275-N285 HydrophobicContact SD-CB 4.39Å; N285-F289 CarbonylContact C-O 3.51Å; N285-F289 VanDerWaalsContact CA-O 3.24Å; N285-F289 WeakPolarHBondContact CA-O 3.36Å
286L93.7Very high95.8Very high3 Ų354.8 Ų54.82%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-117103.9159176.362.3000106.5H60 L95 A138 M274 E288 F289 V291 A306H60-L286 HydrophobicContact CB-CD1 4.23Å; L95-L286 HydrophobicContact CD1-CD1 3.68Å; L95-L286 HydrophobicContact CD1-CG 3.81Å; L95-L286 HydrophobicContact CD2-CD1 4.12Å; L95-L286 HydrophobicContact CD2-CD2 4.48Å; L95-L286 HydrophobicContact CD2-CG 4.21Å; L95-L286 HydrophobicContact CG-CD1 4.3Å; A138-L286 HydrophobicContact CB-CD2 3.72Å; M274-L286 HydrophobicContact CB-CD1 3.73Å; M274-L286 HydrophobicContact CE-CB 4.26Å; L286-E288 PolarHBondContact O-N 3.03Å; L286-E288 VanDerWaalsContact O-N 3.09Å; L286-F289 PolarHBondContact N-O 3Å; L286-F289 PolarHBondContact O-N 3.3Å; L286-V291 HydrophobicContact CB-CG2 3.86Å; L286-A306 HydrophobicContact CD2-CB 4.01Å
287G90.6Very high95.8Very high33 Ų3355.1 Ų55.134%0.3432%0.324SS..THydrogen-bonded Turntrans54.1-114.6-165.500000111.4
288E90.1Very high95.7Very high116 Ų11655.1 Ų55.154%0.54232%0.324SS..THydrogen-bonded Turntrans-91.4-3.9-177.5-58.4-177.4157.300113.9N140 Y143 L286N140-E288 PolarHBondContact ND2-OE2 3.29Å; Y143-E288 PolarHBondContact OH-OE1 2.74Å; L286-E288 PolarHBondContact O-N 3.03Å; L286-E288 VanDerWaalsContact O-N 3.09Å
289F93.3Very high95.7Very high50 Ų5058.3 Ų58.322%0.21933%0.329CS..EExtended strand (participates in β ladder)trans-99.6125.8-173.7-64.8-69.3000112.1A138 N140 N285 L286 V291 L300A138-F289 VanDerWaalsContact O-CD2 3.24Å; A138-F289 WeakPolarHBondContact O-CD2 3.24Å; A138-F289 WeakPolarHBondContact O-CE2 3.46Å; N140-F289 HydrophobicContact CB-CE2 3.81Å; N140-F289 HydrophobicContact CB-CZ 3.81Å; N285-F289 CarbonylContact C-O 3.51Å; N285-F289 VanDerWaalsContact CA-O 3.24Å; N285-F289 WeakPolarHBondContact CA-O 3.36Å; L286-F289 PolarHBondContact N-O 3Å; L286-F289 PolarHBondContact O-N 3.3Å; F289-V291 PolarHBondContact O-N 3.02Å; F289-L300 HydrophobicContact CB-CD2 3.68Å; F289-L300 HydrophobicContact CG-CD2 4.27Å
290P95.4Very high95.5Very high68 Ų6856.2 Ų56.244%0.44232%0.319SS..EExtended strand (participates in β ladder)trans-62.6134.3169-21.533.3000111.1
291V96.6Very high95.1Very high1 Ų160 Ų601%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-129.1134.9-178.6174.50000109.4M274 Y284 L286 F289 V293 A298 R299 L300 A306M274-V291 HydrophobicContact CE-CB 4.07Å; M274-V291 HydrophobicContact CE-CG1 4.01Å; M274-V291 HydrophobicContact CE-CG2 4.32Å; Y284-V291 PolarHBondContact N-O 2.91Å; Y284-V291 PolarHBondContact O-N 3.42Å; L286-V291 HydrophobicContact CB-CG2 3.86Å; F289-V291 PolarHBondContact O-N 3.02Å; V291-V293 HydrophobicContact CG1-CG2 4.36Å; V291-A298 HydrophobicContact CG1-CB 3.72Å; V291-R299 WeakPolarHBondContact CA-O 3.39Å; V291-L300 HydrophobicContact CG2-CD2 4.13Å; V291-A306 HydrophobicContact CG1-CB 4.41Å; V291-A306 HydrophobicContact CG2-CB 3.71Å
292V97.7Very high94.5Very high66 Ų6659 Ų5940%0.433%0.33SS..EExtended strand (participates in β ladder)trans-101.9125.4171.3-175.80000108.5R299V292-R299 PolarHBondContact N-O 3.41Å; V292-R299 PolarHBondContact O-N 3.46Å
293V98Very high94Very high2 Ų259.5 Ų59.51%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-101.6115.8174.3179.10000108.9M274 A276 D281 G282 Y284 V291 T297 A298 I309M274-V293 HydrophobicContact SD-CG2 4.5Å; A276-V293 HydrophobicContact CB-CG2 3.57Å; D281-V293 WeakPolarHBondContact CA-O 3.36Å; D281-V293 VanDerWaalsContact CB-O 3.3Å; D281-V293 WeakPolarHBondContact CB-O 3.35Å; G282-V293 PolarHBondContact N-O 3.11Å; G282-V293 PolarHBondContact O-N 3.26Å; Y284-V293 HydrophobicContact CD2-CB 4.16Å; Y284-V293 HydrophobicContact CD2-CG2 3.69Å; Y284-V293 HydrophobicContact CE2-CB 4.18Å; Y284-V293 HydrophobicContact CE2-CG2 4.12Å; V291-V293 HydrophobicContact CG1-CG2 4.36Å; V293-T297 WeakPolarHBondContact CA-O 3.39Å; V293-A298 HydrophobicContact CG2-CB 4.12Å; V293-I309 HydrophobicContact CG1-CD1 3.93Å; V293-I309 HydrophobicContact CG1-CG2 4.23Å; V293-I309 HydrophobicContact CG2-CG2 4.39Å
294A96.6Very high93.7Very high39 Ų3957.5 Ų57.532%0.32232%0.324SS..EExtended strand (participates in β ladder)trans-157.6154.7176.100000109.7G296 T297A294-G296 PolarHBondContact O-N 3.44Å; A294-G296 VanDerWaalsContact O-N 3.13Å; A294-T297 PolarHBondContact N-O 3.1Å; A294-T297 VanDerWaalsContact N-O 3.09Å; A294-T297 PolarHBondContact O-N 3.38Å; A294-T297 VanDerWaalsContact O-O 3.07Å; A294-T297 PolarHBondContact O-OG1 2.85Å
295E93.3Very high93.6Very high176 Ų17658 Ų5882%0.82233%0.329SS*.THydrogen-bonded Turntrans5535.6172-55.2-175.5160.100113.3T297E295-T297 VanDerWaalsContact C-N 3.29Å; E295-T297 PolarHBondContact O-N 3.44Å
296G92.8Very high93.5Very high35 Ų3554.1 Ų54.136%0.36131%0.308SS..THydrogen-bonded Turntrans794.7179.100000115.1A294A294-G296 PolarHBondContact O-N 3.44Å; A294-G296 VanDerWaalsContact O-N 3.13Å
297T96.4Very high93.6Very high8 Ų854.3 Ų54.35%0.04931%0.311CS..EExtended strand (participates in β ladder)trans-130.3150.6-176.561.50000113.1H248 V293 A294 E295 R299 L305H248-T297 HydrophobicContact CB-CG2 3.71Å; V293-T297 WeakPolarHBondContact CA-O 3.39Å; A294-T297 PolarHBondContact N-O 3.1Å; A294-T297 VanDerWaalsContact N-O 3.09Å; A294-T297 PolarHBondContact O-N 3.38Å; A294-T297 VanDerWaalsContact O-O 3.07Å; A294-T297 PolarHBondContact O-OG1 2.85Å; E295-T297 VanDerWaalsContact C-N 3.29Å; E295-T297 PolarHBondContact O-N 3.44Å; T297-R299 PolarHBondContact OG1-NE 3.49Å; T297-L305 HydrophobicContact CG2-CD2 4.01Å
298A96.6Very high93.9Very high0 Ų052.8 Ų52.80%030%0.295CS..EExtended strand (participates in β ladder)trans-101.3120.4169.400000108.7M274 V291 V293 L305 A306 I309M274-A298 HydrophobicContact CG-CB 4.03Å; M274-A298 HydrophobicContact SD-CB 4.21Å; V291-A298 HydrophobicContact CG1-CB 3.72Å; V293-A298 HydrophobicContact CG2-CB 4.12Å; A298-L305 WeakPolarHBondContact O-CA 3.46Å; A298-A306 WeakPolarHBondContact CB-O 3.49Å; A298-A306 PolarHBondContact O-N 3.17Å; A298-I309 HydrophobicContact CB-CG2 4.36Å
299R97Very high94.3Very high89 Ų8948.9 Ų48.934%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-130.9143.2-176.7-64.5179.4-174.4-81.4-5.5113.2V291 V292 T297 G303 N304 L305V291-R299 WeakPolarHBondContact CA-O 3.39Å; V292-R299 PolarHBondContact N-O 3.41Å; V292-R299 PolarHBondContact O-N 3.46Å; T297-R299 PolarHBondContact OG1-NE 3.49Å; R299-G303 PolarHBondContact NH1-O 2.74Å; R299-N304 CarbonylContact C-O 3.54Å; R299-N304 WeakPolarHBondContact CA-O 3.29Å; R299-N304 WeakPolarHBondContact CB-O 3.22Å; R299-L305 HydrophobicContact CG-CD2 4.2Å
300L93.9Very high94.6Very high20 Ų2046.9 Ų46.911%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-64.6162.6163.7-59.8-179.8000110.2A138 F289 V291 S302 G303 N304 A306A138-L300 HydrophobicContact CB-CD1 4.3Å; A138-L300 HydrophobicContact CB-CD2 4.34Å; F289-L300 HydrophobicContact CB-CD2 3.68Å; F289-L300 HydrophobicContact CG-CD2 4.27Å; V291-L300 HydrophobicContact CG2-CD2 4.13Å; L300-S302 PolarHBondContact O-N 3.39Å; L300-G303 WeakPolarHBondContact O-CA 3.44Å; L300-G303 PolarHBondContact O-N 2.83Å; L300-N304 HydrophobicContact CD1-CB 4.38Å; L300-N304 PolarHBondContact N-O 2.93Å; L300-A306 HydrophobicContact CD2-CB 3.83Å; L300-A306 HydrophobicContact CG-CB 3.94Å
301E88.9Confident94.7Very high175 Ų17546.3 Ų46.382%0.81826%0.259SS*.THydrogen-bonded Turntrans-56.3-25171.6-64.6-173.1160.700113.2G303E301-G303 PolarHBondContact O-N 3.27Å
302S86.8Confident94.8Very high84 Ų8446.3 Ų46.359%0.58726%0.259SS*.THydrogen-bonded Turntrans-72.4-11.2174.365.20000114.1L300 N304L300-S302 PolarHBondContact O-N 3.39Å; S302-N304 PolarHBondContact OG-ND2 2.94Å
303G87Confident94.9Very high36 Ų3645.1 Ų45.137%0.37125%0.249SC..SBendtrans91.4-8.8-175.500000114.9R299 L300 E301R299-G303 PolarHBondContact NH1-O 2.74Å; L300-G303 WeakPolarHBondContact O-CA 3.44Å; L300-G303 PolarHBondContact O-N 2.83Å; E301-G303 PolarHBondContact O-N 3.27Å
304N90.9Very high94.9Very high95 Ų9548 Ų4851%0.50826%0.262SS..  trans-65.8144.8175.4-67.9-18.6000110.8R299 L300 S302R299-N304 CarbonylContact C-O 3.54Å; R299-N304 WeakPolarHBondContact CA-O 3.29Å; R299-N304 WeakPolarHBondContact CB-O 3.22Å; L300-N304 HydrophobicContact CD1-CB 4.38Å; L300-N304 PolarHBondContact N-O 2.93Å; S302-N304 PolarHBondContact OG-ND2 2.94Å
305L93.9Very high95Very high40 Ų4046.2 Ų46.221%0.20925%0.247CC..BIsolated β-bridgetrans-62.4142.6170.2-67167.2000110.2T297 A298 R299T297-L305 HydrophobicContact CG2-CD2 4.01Å; A298-L305 WeakPolarHBondContact O-CA 3.46Å; R299-L305 HydrophobicContact CG-CD2 4.2Å
306A94Very high95.3Very high0 Ų037.8 Ų37.80%021%0.208CC..  trans-13590.1-178.800000109.6A138 L286 V291 A298 L300A138-A306 HydrophobicContact CB-CB 3.75Å; L286-A306 HydrophobicContact CD2-CB 4.01Å; V291-A306 HydrophobicContact CG1-CB 4.41Å; V291-A306 HydrophobicContact CG2-CB 3.71Å; A298-A306 WeakPolarHBondContact CB-O 3.49Å; A298-A306 PolarHBondContact O-N 3.17Å; L300-A306 HydrophobicContact CD2-CB 3.83Å; L300-A306 HydrophobicContact CG-CB 3.94Å
307G95.3Very high95.6Very high7 Ų738.4 Ų38.47%0.07220%0.201CC..SBendtrans57.8-161-163.100000111.4H249 D272H249-G307 PolarHBondContact CE1-O 3.36Å; H249-G307 VanDerWaalsContact CE1-O 3.22Å; H249-G307 PolarHBondContact NE2-O 2.95Å; H249-G307 VanDerWaalsContact NE2-O 3.16Å; D272-G307 CarbonylContact O-C 3.49Å; D272-G307 VanDerWaalsContact O-CA 3.27Å; D272-G307 WeakPolarHBondContact O-CA 3.35Å
308S98.1Very high95.7Very high1 Ų139.9 Ų39.91%0.00721%0.208CC..BIsolated β-bridgetrans-130.6176.4175.192.40000112.1T271 D272 C273 M274 L310T271-S308 VanDerWaalsContact O-CB 3.3Å; T271-S308 WeakPolarHBondContact O-CB 3.38Å; T271-S308 PolarHBondContact O-OG 3.22Å; D272-S308 PolarHBondContact O-N 3.22Å; C273-S308 CarbonylContact C-O 3.46Å; C273-S308 VanDerWaalsContact CA-O 3.3Å; C273-S308 WeakPolarHBondContact CA-O 3.15Å; M274-S308 WeakPolarHBondContact CG-O 3.48Å; M274-S308 PolarHBondContact N-O 3.5Å; S308-L310 VanDerWaalsContact OG-CB 3.27Å; S308-L310 WeakPolarHBondContact OG-CB 3.32Å; S308-L310 PolarHBondContact OG-N 3.43Å
309I98.2Very high95.8Very high34 Ų3439.9 Ų39.917%0.17421%0.208CC..  trans-115.717.6164.757.2164.9000111.4M274 A276 V293 A298M274-I309 HydrophobicContact SD-CG2 4.41Å; A276-I309 HydrophobicContact CB-CG2 4.11Å; V293-I309 HydrophobicContact CG1-CD1 3.93Å; V293-I309 HydrophobicContact CG1-CG2 4.23Å; V293-I309 HydrophobicContact CG2-CG2 4.39Å; A298-I309 HydrophobicContact CB-CG2 4.36Å
310L98.7Very high95.9Very high9 Ų937.1 Ų37.15%0.04720%0.201CC..  trans-65.3135.3-176.1-179.861.3000110.4I244 D246 T271 S308 E314 A315I244-L310 HydrophobicContact CG2-CD2 3.84Å; D246-L310 HydrophobicContact CB-CB 4.36Å; D246-L310 HydrophobicContact CB-CD1 3.95Å; D246-L310 HydrophobicContact CB-CD2 4.14Å; D246-L310 HydrophobicContact CB-CG 4.38Å; T271-L310 WeakPolarHBondContact CB-O 3.44Å; T271-L310 HydrophobicContact CG2-CG 4.43Å; T271-L310 VanDerWaalsContact CG2-O 3.23Å; T271-L310 WeakPolarHBondContact CG2-O 3.37Å; S308-L310 VanDerWaalsContact OG-CB 3.27Å; S308-L310 WeakPolarHBondContact OG-CB 3.32Å; S308-L310 PolarHBondContact OG-N 3.43Å; L310-E314 HydrophobicContact CD1-CB 3.77Å; L310-A315 HydrophobicContact CD2-CB 3.95Å; L310-A315 HydrophobicContact CG-CB 4.48Å
311K98.7Very high96.1Very high55 Ų5540.8 Ų40.824%0.23922%0.221CC..  trans-92.9137.7166.5-52.9-179-159.2106.50108.6Y62 C85 K313 E314 A315Y62-K311 HydrophobicContact CE2-CG 4.46Å; C85-K311 HydrophobicContact CB-CB 4.18Å; K311-K313 HydrophobicContact CB-CG 4.1Å; K311-K313 PolarHBondContact O-N 2.83Å; K311-K313 VanDerWaalsContact O-N 3.13Å; K311-E314 HydrophobicContact CB-CG 4.13Å; K311-E314 WeakPolarHBondContact CB-OE2 3.49Å; K311-E314 WeakPolarHBondContact CG-OE2 3.37Å; K311-E314 PolarHBondContact N-OE2 3.4Å; K311-E314 IonicContact NZ-OE1 2.78Å; K311-E314 PolarHBondContact NZ-OE1 3.14Å; K311-E314 WeakPolarHBondContact O-CA 3.47Å; K311-E314 VanDerWaalsContact O-CB 3.3Å; K311-E314 WeakPolarHBondContact O-CB 3.35Å; K311-E314 PolarHBondContact O-N 3.1Å; K311-A315 PolarHBondContact O-N 3.24Å
312L98.9Very high96.6Very high1 Ų136 Ų361%0.00520%0.195CC..Hα-helixtrans-59.9-32.6-175.2-166.856.3000113.3L54 D56 V87 L269 T271 E314 A315 I316 A334L54-L312 HydrophobicContact CB-CD2 3.78Å; L54-L312 HydrophobicContact CB-CG 4.33Å; L54-L312 HydrophobicContact CD1-CB 4.28Å; L54-L312 HydrophobicContact CD1-CG 4.16Å; D56-L312 HydrophobicContact CB-CD2 3.9Å; V87-L312 HydrophobicContact CG2-CB 3.87Å; V87-L312 HydrophobicContact CG2-CD2 4.09Å; L269-L312 HydrophobicContact CB-CD1 3.99Å; T271-L312 HydrophobicContact CG2-CB 3.83Å; T271-L312 HydrophobicContact CG2-CD1 4.23Å; L312-E314 PolarHBondContact O-N 2.73Å; L312-A315 HydrophobicContact CD1-CB 4.14Å; L312-A315 VanDerWaalsContact O-CB 3.31Å; L312-A315 WeakPolarHBondContact O-CB 3.35Å; L312-A315 PolarHBondContact O-N 2.87Å; L312-A315 VanDerWaalsContact O-N 3.12Å; L312-I316 PolarHBondContact O-N 3.24Å; L312-A334 HydrophobicContact CD1-CB 4.25Å; L312-A334 HydrophobicContact CD2-CB 4.39Å; L312-A334 HydrophobicContact CG-CB 4.17Å
313K98.7Very high97.1Very high41 Ų4135 Ų3518%0.17820%0.198CC..Hα-helixtrans-60-27.4169.767178.2-174.8-175.10114.9L54 S84 C85 K311 I316 K317 L368L54-K313 HydrophobicContact CD1-CB 4.43Å; S84-K313 VanDerWaalsContact O-CE 3.28Å; S84-K313 WeakPolarHBondContact O-CE 3.44Å; S84-K313 PolarHBondContact O-NZ 3.13Å; C85-K313 WeakPolarHBondContact O-CB 3.31Å; C85-K313 PolarHBondContact O-N 2.88Å; K311-K313 HydrophobicContact CB-CG 4.1Å; K311-K313 PolarHBondContact O-N 2.83Å; K311-K313 VanDerWaalsContact O-N 3.13Å; K313-I316 WeakPolarHBondContact O-CG1 3.28Å; K313-K317 PolarHBondContact O-N 3.27Å; K313-L368 HydrophobicContact CD-CB 3.77Å; K313-L368 HydrophobicContact CD-CD2 3.78Å; K313-L368 HydrophobicContact CD-CG 4.44Å
314E98.7Very high97.6Very high64 Ų6434.2 Ų34.230%0.29919%0.185SC..Hα-helixtrans-78.2-34.5176.1-65.6160.8172.700109.6L310 K311 L312 I316 K317 N318L310-E314 HydrophobicContact CD1-CB 3.77Å; K311-E314 HydrophobicContact CB-CG 4.13Å; K311-E314 WeakPolarHBondContact CB-OE2 3.49Å; K311-E314 WeakPolarHBondContact CG-OE2 3.37Å; K311-E314 PolarHBondContact N-OE2 3.4Å; K311-E314 IonicContact NZ-OE1 2.78Å; K311-E314 PolarHBondContact NZ-OE1 3.14Å; K311-E314 WeakPolarHBondContact O-CA 3.47Å; K311-E314 VanDerWaalsContact O-CB 3.3Å; K311-E314 WeakPolarHBondContact O-CB 3.35Å; K311-E314 PolarHBondContact O-N 3.1Å; L312-E314 PolarHBondContact O-N 2.73Å; E314-I316 PolarHBondContact O-N 3.3Å; E314-K317 PolarHBondContact O-N 2.8Å; E314-N318 VanDerWaalsContact O-CB 3.27Å; E314-N318 WeakPolarHBondContact O-CB 3.46Å; E314-N318 PolarHBondContact O-N 2.78Å; E314-N318 PolarHBondContact O-ND2 2.92Å; E314-N318 PolarHBondContact O-OD1 3.18Å
315A98.8Very high98Very high0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-59.4-46.5174.900000111.9C245 L269 L310 K311 L312 K317 N318 V319C245-A315 HydrophobicContact CB-CB 4.28Å; L269-A315 HydrophobicContact CB-CB 4.38Å; L269-A315 HydrophobicContact CD1-CB 4.2Å; L310-A315 HydrophobicContact CD2-CB 3.95Å; L310-A315 HydrophobicContact CG-CB 4.48Å; K311-A315 PolarHBondContact O-N 3.24Å; L312-A315 HydrophobicContact CD1-CB 4.14Å; L312-A315 VanDerWaalsContact O-CB 3.31Å; L312-A315 WeakPolarHBondContact O-CB 3.35Å; L312-A315 PolarHBondContact O-N 2.87Å; L312-A315 VanDerWaalsContact O-N 3.12Å; A315-K317 VanDerWaalsContact C-N 3.31Å; A315-K317 PolarHBondContact O-N 3.11Å; A315-N318 PolarHBondContact O-N 2.9Å; A315-V319 PolarHBondContact O-N 3.01Å
316I98.6Very high98.2Very high0 Ų031.5 Ų31.50%018%0.175CC..Hα-helixtrans-62.6-40.6177.265.8174.3000111.4L54 L269 L312 K313 E314 V319 V320 A330 A334 L362 M366L54-I316 HydrophobicContact CD1-CD1 4.43Å; L269-I316 HydrophobicContact CD1-CG2 4.19Å; L312-I316 PolarHBondContact O-N 3.24Å; K313-I316 WeakPolarHBondContact O-CG1 3.28Å; E314-I316 PolarHBondContact O-N 3.3Å; I316-V319 VanDerWaalsContact O-CG2 3.31Å; I316-V319 WeakPolarHBondContact O-CG2 3.49Å; I316-V320 WeakPolarHBondContact O-CG2 3.38Å; I316-V320 PolarHBondContact O-N 2.85Å; I316-A330 HydrophobicContact CB-CB 4.3Å; I316-A334 HydrophobicContact CG2-CB 3.31Å; I316-L362 HydrophobicContact CD1-CD1 4.38Å; I316-L362 HydrophobicContact CD1-CD2 4.44Å; I316-M366 HydrophobicContact CD1-CE 4.15Å
317K98.7Very high98.4Very high48 Ų4833.1 Ų33.121%0.20919%0.185CC..Hα-helixtrans-68.3-43.6-179.1178.2162.9179.144.80110.7K313 E314 A315 V320 D321 N365 M366 D367K313-K317 PolarHBondContact O-N 3.27Å; E314-K317 PolarHBondContact O-N 2.8Å; A315-K317 VanDerWaalsContact C-N 3.31Å; A315-K317 PolarHBondContact O-N 3.11Å; K317-V320 PolarHBondContact O-N 2.92Å; K317-D321 WeakPolarHBondContact CE-OD2 3.48Å; K317-D321 WeakPolarHBondContact CG-OD2 3.25Å; K317-D321 IonicContact NZ-OD1 3.99Å; K317-D321 PolarHBondContact NZ-OD1 3.35Å; K317-D321 IonicContact NZ-OD2 2.7Å; K317-D321 PolarHBondContact NZ-OD2 3.44Å; K317-D321 WeakPolarHBondContact O-CB 3.47Å; K317-D321 PolarHBondContact O-N 2.74Å; K317-N365 PolarHBondContact NZ-O 2.88Å; K317-M366 HydrophobicContact CB-CB 4.35Å; K317-D367 WeakPolarHBondContact CD-OD1 3.23Å; K317-D367 VanDerWaalsContact CE-OD1 3.31Å; K317-D367 WeakPolarHBondContact CE-OD1 3.3Å
318N98.8Very high98.5Very high39 Ų3936.7 Ų36.721%0.20920%0.2CC..Hα-helixtrans-59.1-50.2179.7-75.3-13.8000111.8C245 E314 A315 V320 D321 W322C245-N318 PolarHBondContact O-ND2 2.92Å; E314-N318 VanDerWaalsContact O-CB 3.27Å; E314-N318 WeakPolarHBondContact O-CB 3.46Å; E314-N318 PolarHBondContact O-N 2.78Å; E314-N318 PolarHBondContact O-ND2 2.92Å; E314-N318 PolarHBondContact O-OD1 3.18Å; A315-N318 PolarHBondContact O-N 2.9Å; N318-V320 PolarHBondContact O-N 3.39Å; N318-D321 PolarHBondContact O-N 3.21Å; N318-W322 HydrophobicContact CB-CD2 4.26Å; N318-W322 HydrophobicContact CB-CE3 4.42Å; N318-W322 HydrophobicContact CB-CH2 3.87Å; N318-W322 HydrophobicContact CB-CZ2 3.65Å; N318-W322 HydrophobicContact CB-CZ3 4.25Å; N318-W322 VanDerWaalsContact O-CB 3.31Å; N318-W322 WeakPolarHBondContact O-CB 2.96Å; N318-W322 PolarHBondContact O-N 2.92Å
319V98.8Very high98.5Very high0 Ų039.2 Ų39.20%021%0.212CC..Hα-helixtrans-65.1-28.8-179-61.80000113.2C245 L269 A315 I316 W322 G323 I324 A325 A330C245-V319 HydrophobicContact CB-CG1 3.81Å; C245-V319 WeakPolarHBondContact SG-CG1 3.01Å; L269-V319 HydrophobicContact CD1-CG2 4.28Å; L269-V319 HydrophobicContact CD2-CG1 4.26Å; A315-V319 PolarHBondContact O-N 3.01Å; I316-V319 VanDerWaalsContact O-CG2 3.31Å; I316-V319 WeakPolarHBondContact O-CG2 3.49Å; V319-W322 HydrophobicContact CG1-CE3 4.33Å; V319-W322 HydrophobicContact CG1-CZ3 4.33Å; V319-G323 PolarHBondContact O-N 2.88Å; V319-I324 HydrophobicContact CB-CD1 4.38Å; V319-I324 HydrophobicContact CB-CG1 3.99Å; V319-I324 HydrophobicContact CG1-CD1 4.23Å; V319-I324 HydrophobicContact CG1-CG1 4.38Å; V319-I324 WeakPolarHBondContact O-CG1 3.41Å; V319-I324 PolarHBondContact O-N 2.83Å; V319-I324 VanDerWaalsContact O-N 3.1Å; V319-A325 HydrophobicContact CB-CB 4.02Å; V319-A325 HydrophobicContact CG2-CB 3.87Å; V319-A325 PolarHBondContact O-N 2.97Å; V319-A325 VanDerWaalsContact O-N 3.13Å; V319-A330 HydrophobicContact CG2-CB 3.53Å
320V98.8Very high98.5Very high31 Ų3137.6 Ų37.619%0.18820%0.203CC..Hα-helixtrans-74.7-47.4173.4174.90000111I316 K317 N318 W322 G323 P327 A330 M366I316-V320 WeakPolarHBondContact O-CG2 3.38Å; I316-V320 PolarHBondContact O-N 2.85Å; K317-V320 PolarHBondContact O-N 2.92Å; N318-V320 PolarHBondContact O-N 3.39Å; V320-W322 VanDerWaalsContact C-N 3.28Å; V320-W322 PolarHBondContact O-N 2.82Å; V320-G323 WeakPolarHBondContact O-CA 3.25Å; V320-G323 PolarHBondContact O-N 3.38Å; V320-P327 HydrophobicContact CG1-CG 4.3Å; V320-A330 HydrophobicContact CG2-CB 3.55Å; V320-M366 HydrophobicContact CB-CG 4.32Å; V320-M366 HydrophobicContact CG1-CG 4.24Å; V320-M366 HydrophobicContact CG2-CG 4.12Å
321D98.7Very high98.5Very high96 Ų9637.2 Ų37.251%0.51320%0.201SC..Hα-helixtrans-66.7-30.3-179.4-74.2-11.9000112.1K317 N318 G323K317-D321 WeakPolarHBondContact CE-OD2 3.48Å; K317-D321 WeakPolarHBondContact CG-OD2 3.25Å; K317-D321 IonicContact NZ-OD1 3.99Å; K317-D321 PolarHBondContact NZ-OD1 3.35Å; K317-D321 IonicContact NZ-OD2 2.7Å; K317-D321 PolarHBondContact NZ-OD2 3.44Å; K317-D321 WeakPolarHBondContact O-CB 3.47Å; K317-D321 PolarHBondContact O-N 2.74Å; N318-D321 PolarHBondContact O-N 3.21Å; D321-G323 PolarHBondContact O-N 2.82Å
322W98.6Very high98.5Very high75 Ų7536.6 Ų36.628%0.28420%0.2SC..THydrogen-bonded Turntrans-73.4-13.1171.4-60.3-18.9000113.1C245 P252 N318 V319 V320 I324C245-W322 HydrophobicContact CB-CH2 3.98Å; C245-W322 HydrophobicContact CB-CZ3 3.8Å; P252-W322 HydrophobicContact CB-CB 4.35Å; P252-W322 HydrophobicContact CB-CD2 3.78Å; P252-W322 HydrophobicContact CB-CE3 3.94Å; P252-W322 HydrophobicContact CB-CG 3.97Å; P252-W322 HydrophobicContact CG-CD2 3.76Å; P252-W322 HydrophobicContact CG-CE3 4.14Å; P252-W322 HydrophobicContact CG-CG 4.15Å; P252-W322 HydrophobicContact CG-CH2 4.38Å; P252-W322 HydrophobicContact CG-CZ2 4.04Å; P252-W322 HydrophobicContact CG-CZ3 4.43Å; N318-W322 HydrophobicContact CB-CD2 4.26Å; N318-W322 HydrophobicContact CB-CE3 4.42Å; N318-W322 HydrophobicContact CB-CH2 3.87Å; N318-W322 HydrophobicContact CB-CZ2 3.65Å; N318-W322 HydrophobicContact CB-CZ3 4.25Å; N318-W322 VanDerWaalsContact O-CB 3.31Å; N318-W322 WeakPolarHBondContact O-CB 2.96Å; N318-W322 PolarHBondContact O-N 2.92Å; V319-W322 HydrophobicContact CG1-CE3 4.33Å; V319-W322 HydrophobicContact CG1-CZ3 4.33Å; V320-W322 VanDerWaalsContact C-N 3.28Å; V320-W322 PolarHBondContact O-N 2.82Å; W322-I324 VanDerWaalsContact C-N 3.33Å; W322-I324 HydrophobicContact CB-CG1 4.32Å; W322-I324 HydrophobicContact CB-CG2 4.22Å; W322-I324 HydrophobicContact CE3-CD1 3.8Å; W322-I324 HydrophobicContact CE3-CG1 4.49Å; W322-I324 HydrophobicContact CZ3-CD1 4.5Å
323G98.2Very high98.5Very high62 Ų6236.5 Ų36.564%0.63920%0.199SC*.THydrogen-bonded Turntrans77.115.1179.600000114.6V319 V320 D321V319-G323 PolarHBondContact O-N 2.88Å; V320-G323 WeakPolarHBondContact O-CA 3.25Å; V320-G323 PolarHBondContact O-N 3.38Å; D321-G323 PolarHBondContact O-N 2.82Å
324I98.3Very high98.5Very high21 Ų2134.6 Ų34.611%0.10819%0.191CC..SBendtrans-98.7-9.6-174.970.7175.2000112.9A255 E256 I259 V319 W322A255-I324 HydrophobicContact CB-CD1 3.78Å; E256-I324 HydrophobicContact CB-CB 4.24Å; E256-I324 HydrophobicContact CB-CG2 3.76Å; E256-I324 HydrophobicContact CG-CB 4.21Å; E256-I324 HydrophobicContact CG-CG2 3.79Å; I259-I324 HydrophobicContact CD1-CD1 3.77Å; I259-I324 HydrophobicContact CD1-CG1 4.16Å; V319-I324 HydrophobicContact CB-CD1 4.38Å; V319-I324 HydrophobicContact CB-CG1 3.99Å; V319-I324 HydrophobicContact CG1-CD1 4.23Å; V319-I324 HydrophobicContact CG1-CG1 4.38Å; V319-I324 WeakPolarHBondContact O-CG1 3.41Å; V319-I324 PolarHBondContact O-N 2.83Å; V319-I324 VanDerWaalsContact O-N 3.1Å; W322-I324 VanDerWaalsContact C-N 3.33Å; W322-I324 HydrophobicContact CB-CG1 4.32Å; W322-I324 HydrophobicContact CB-CG2 4.22Å; W322-I324 HydrophobicContact CE3-CD1 3.8Å; W322-I324 HydrophobicContact CE3-CG1 4.49Å; W322-I324 HydrophobicContact CZ3-CD1 4.5Å
325A98.4Very high98.5Very high10 Ų1031.5 Ų31.58%0.08318%0.177CC..SBendtrans-141.4143.5171.600000110.8V319 Q329 A330V319-A325 HydrophobicContact CB-CB 4.02Å; V319-A325 HydrophobicContact CG2-CB 3.87Å; V319-A325 PolarHBondContact O-N 2.97Å; V319-A325 VanDerWaalsContact O-N 3.13Å; A325-Q329 HydrophobicContact CB-CB 4.15Å; A325-A330 HydrophobicContact CB-CB 4.29Å
326T97.9Very high98.5Very high67 Ų6734.8 Ų34.841%0.41119%0.19SC..  trans-69.7159.416463.20000110.3E328 Q329 A330T326-E328 PolarHBondContact O-N 2.9Å; T326-Q329 PolarHBondContact O-N 3.07Å; T326-Q329 VanDerWaalsContact O-N 3.09Å; T326-Q329 VanDerWaalsContact OG1-CD 3.27Å; T326-Q329 VanDerWaalsContact OG1-CG 3.25Å; T326-Q329 WeakPolarHBondContact OG1-CG 3.36Å; T326-Q329 PolarHBondContact OG1-N 3.14Å; T326-Q329 PolarHBondContact OG1-OE1 3.48Å; T326-A330 PolarHBondContact O-N 2.85Å
327P98.2Very high98.5Very high34 Ų3434.9 Ų34.922%0.22119%0.19CC..Hα-helixtrans-51.4-38.6173.7-32.938.4000114.6F11 W49 V320 V331 M366F11-P327 HydrophobicContact CE1-CB 4.24Å; F11-P327 HydrophobicContact CZ-CB 4.11Å; W49-P327 HydrophobicContact CH2-CG 4.37Å; W49-P327 HydrophobicContact CZ3-CB 3.82Å; W49-P327 HydrophobicContact CZ3-CG 4.04Å; V320-P327 HydrophobicContact CG1-CG 4.3Å; P327-V331 WeakPolarHBondContact O-CB 3.18Å; P327-V331 VanDerWaalsContact O-CG2 3.28Å; P327-V331 WeakPolarHBondContact O-CG2 3.3Å; P327-V331 PolarHBondContact O-N 3.03Å; P327-M366 HydrophobicContact CB-CE 4.29Å; P327-M366 HydrophobicContact CB-SD 3.75Å; P327-M366 HydrophobicContact CG-SD 4.27Å
328E97.7Very high98.5Very high83 Ų8332.6 Ų32.639%0.38818%0.18SC..Hα-helixtrans-65.4-47177.5178.1173.4-158.900111.5F11 V16 T326 V331 M332F11-E328 HydrophobicContact CD1-CB 4.18Å; F11-E328 HydrophobicContact CD1-CG 4.48Å; F11-E328 HydrophobicContact CE1-CB 4.1Å; V16-E328 HydrophobicContact CG2-CB 3.95Å; V16-E328 VanDerWaalsContact CG2-CD 3.41Å; V16-E328 HydrophobicContact CG2-CG 3.78Å; T326-E328 PolarHBondContact O-N 2.9Å; E328-V331 PolarHBondContact O-N 3.45Å; E328-M332 WeakPolarHBondContact O-CB 3.27Å; E328-M332 VanDerWaalsContact O-CG 3.25Å; E328-M332 WeakPolarHBondContact O-CG 3.48Å; E328-M332 PolarHBondContact O-N 3.23Å
329Q98.2Very high98.5Very high54 Ų5430.8 Ų30.825%0.25217%0.17SC..Hα-helixtrans-62.7-45.4177.7-69165.4-37.900111.1H264 A325 T326 V331 M332 M333H264-Q329 HydrophobicContact CB-CB 4.14Å; H264-Q329 HydrophobicContact CB-CG 4.22Å; H264-Q329 PolarHBondContact CD2-NE2 3.26Å; H264-Q329 PolarHBondContact NE2-NE2 3.46Å; A325-Q329 HydrophobicContact CB-CB 4.15Å; T326-Q329 PolarHBondContact O-N 3.07Å; T326-Q329 VanDerWaalsContact O-N 3.09Å; T326-Q329 VanDerWaalsContact OG1-CD 3.27Å; T326-Q329 VanDerWaalsContact OG1-CG 3.25Å; T326-Q329 WeakPolarHBondContact OG1-CG 3.36Å; T326-Q329 PolarHBondContact OG1-N 3.14Å; T326-Q329 PolarHBondContact OG1-OE1 3.48Å; Q329-V331 PolarHBondContact O-N 3.44Å; Q329-M332 PolarHBondContact O-N 2.99Å; Q329-M333 WeakPolarHBondContact O-CB 3.19Å; Q329-M333 WeakPolarHBondContact O-CG 3.47Å; Q329-M333 PolarHBondContact O-N 2.75Å
330A98.6Very high98.5Very high0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-60.9-43.7179.100000112.6I316 V319 V320 A325 T326 M333 A334I316-A330 HydrophobicContact CB-CB 4.3Å; V319-A330 HydrophobicContact CG2-CB 3.53Å; V320-A330 HydrophobicContact CG2-CB 3.55Å; A325-A330 HydrophobicContact CB-CB 4.29Å; T326-A330 PolarHBondContact O-N 2.85Å; A330-M333 PolarHBondContact O-N 3.13Å; A330-A334 PolarHBondContact O-N 2.99Å
331V98.7Very high98.5Very high0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-60.6-49.5174.1165.90000110.5F11 A51 P327 E328 Q329 M333 A334 S335 L362 M366F11-V331 HydrophobicContact CB-CG1 4.1Å; F11-V331 HydrophobicContact CD1-CB 4.47Å; F11-V331 HydrophobicContact CD1-CG2 4.43Å; F11-V331 HydrophobicContact CD2-CG2 4.35Å; F11-V331 HydrophobicContact CE1-CG2 4.45Å; F11-V331 HydrophobicContact CE2-CG2 4.35Å; F11-V331 HydrophobicContact CG-CG1 4.26Å; F11-V331 HydrophobicContact CG-CG2 4.39Å; F11-V331 HydrophobicContact CZ-CG2 4.4Å; A51-V331 HydrophobicContact CB-CG1 3.75Å; A51-V331 HydrophobicContact CB-CG2 4.01Å; P327-V331 WeakPolarHBondContact O-CB 3.18Å; P327-V331 VanDerWaalsContact O-CG2 3.28Å; P327-V331 WeakPolarHBondContact O-CG2 3.3Å; P327-V331 PolarHBondContact O-N 3.03Å; E328-V331 PolarHBondContact O-N 3.45Å; Q329-V331 PolarHBondContact O-N 3.44Å; V331-M333 VanDerWaalsContact C-N 3.32Å; V331-M333 PolarHBondContact O-N 3.43Å; V331-A334 CarbonylContact O-C 3.33Å; V331-A334 PolarHBondContact O-N 2.9Å; V331-A334 VanDerWaalsContact O-N 3.1Å; V331-S335 WeakPolarHBondContact O-CB 3.36Å; V331-S335 PolarHBondContact O-N 3.22Å; V331-S335 PolarHBondContact O-OG 3.33Å; V331-L362 HydrophobicContact CG2-CD1 4.26Å; V331-M366 HydrophobicContact CG2-CE 3.71Å
332M98.2Very high98.5Very high42 Ų4226.7 Ų26.721%0.20715%0.149CC..Hα-helixtrans-60.5-41.8180-70.8-64.9-73.300112.1E328 Q329 A334 S335 Y336 V337E328-M332 WeakPolarHBondContact O-CB 3.27Å; E328-M332 VanDerWaalsContact O-CG 3.25Å; E328-M332 WeakPolarHBondContact O-CG 3.48Å; E328-M332 PolarHBondContact O-N 3.23Å; Q329-M332 PolarHBondContact O-N 2.99Å; M332-A334 PolarHBondContact O-N 3.24Å; M332-S335 PolarHBondContact O-N 2.9Å; M332-Y336 VanDerWaalsContact CE-CB 3.45Å; M332-Y336 HydrophobicContact CE-CD1 3.3Å; M332-Y336 HydrophobicContact CE-CD2 4.28Å; M332-Y336 HydrophobicContact CE-CE1 4.08Å; M332-Y336 HydrophobicContact CE-CG 3.41Å; M332-Y336 VanDerWaalsContact CE-CG 3.41Å; M332-Y336 PolarHBondContact O-N 3.09Å; M332-Y336 VanDerWaalsContact O-N 3.07Å; M332-Y336 HydrophobicContact SD-CG 4.36Å; M332-V337 WeakPolarHBondContact O-CG2 3.07Å; M332-V337 PolarHBondContact O-N 3.18Å
333M98.8Very high98.5Very high0 Ų028.3 Ų28.30%016%0.158CC..Hα-helixtrans-64-21.2177.8-71.5174.660.500113.5I259 H264 V267 L269 Q329 A330 V331 P338I259-M333 HydrophobicContact CD1-CE 3.81Å; I259-M333 HydrophobicContact CD1-SD 4.46Å; I259-M333 HydrophobicContact CG1-CE 3.98Å; H264-M333 HydrophobicContact CB-CG 4.15Å; H264-M333 HydrophobicContact CB-SD 3.87Å; H264-M333 WeakPolarHBondContact O-CG 3.33Å; V267-M333 HydrophobicContact CB-CE 3.75Å; V267-M333 HydrophobicContact CG1-CE 3.5Å; V267-M333 WeakPolarHBondContact O-CB 3.34Å; V267-M333 WeakPolarHBondContact O-CG 3.49Å; L269-M333 HydrophobicContact CD1-CB 3.96Å; L269-M333 HydrophobicContact CD1-CE 4.44Å; L269-M333 HydrophobicContact CD2-CE 3.94Å; L269-M333 HydrophobicContact CG-CB 3.89Å; L269-M333 HydrophobicContact CG-CE 3.97Å; L269-M333 PolarHBondContact N-O 3.18Å; Q329-M333 WeakPolarHBondContact O-CB 3.19Å; Q329-M333 WeakPolarHBondContact O-CG 3.47Å; Q329-M333 PolarHBondContact O-N 2.75Å; A330-M333 PolarHBondContact O-N 3.13Å; V331-M333 VanDerWaalsContact C-N 3.32Å; V331-M333 PolarHBondContact O-N 3.43Å; M333-P338 WeakPolarHBondContact O-CD 3.48Å
334A98.9Very high98.5Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-110.62.9178.600000114.1L54 V55 L269 L312 I316 A330 V331 M332L54-A334 WeakPolarHBondContact CA-O 3.41Å; L54-A334 HydrophobicContact CD2-CB 3.97Å; V55-A334 PolarHBondContact N-O 3.02Å; L269-A334 HydrophobicContact CB-CB 4.18Å; L269-A334 HydrophobicContact CD1-CB 4.16Å; L312-A334 HydrophobicContact CD1-CB 4.25Å; L312-A334 HydrophobicContact CD2-CB 4.39Å; L312-A334 HydrophobicContact CG-CB 4.17Å; I316-A334 HydrophobicContact CG2-CB 3.31Å; A330-A334 PolarHBondContact O-N 2.99Å; V331-A334 CarbonylContact O-C 3.33Å; V331-A334 PolarHBondContact O-N 2.9Å; V331-A334 VanDerWaalsContact O-N 3.1Å; M332-A334 PolarHBondContact O-N 3.24Å
335S98.9Very high98.5Very high0 Ų027 Ų270%014%0.136CC..THydrogen-bonded Turntrans-130.8-70178.978.80000111.9V55 V331 M332 A339 G349V55-S335 WeakPolarHBondContact CG2-O 3.49Å; V331-S335 WeakPolarHBondContact O-CB 3.36Å; V331-S335 PolarHBondContact O-N 3.22Å; V331-S335 PolarHBondContact O-OG 3.33Å; M332-S335 PolarHBondContact O-N 2.9Å; S335-A339 WeakPolarHBondContact O-CB 3.4Å; S335-A339 PolarHBondContact O-N 2.91Å; S335-G349 CarbonylContact C-O 3.46Å; S335-G349 WeakPolarHBondContact CB-O 3.38Å; S335-G349 WeakPolarHBondContact O-CA 3.46Å; S335-G349 PolarHBondContact OG-O 3.12Å
336Y98.6Very high98.4Very high69 Ų6930.9 Ų30.927%0.27116%0.156SC..Hα-helixtrans-73.9-47.1-173.1175.6-100.5000111.9M332 A339 V340 G349 M350M332-Y336 VanDerWaalsContact CE-CB 3.45Å; M332-Y336 HydrophobicContact CE-CD1 3.3Å; M332-Y336 HydrophobicContact CE-CD2 4.28Å; M332-Y336 HydrophobicContact CE-CE1 4.08Å; M332-Y336 HydrophobicContact CE-CG 3.41Å; M332-Y336 VanDerWaalsContact CE-CG 3.41Å; M332-Y336 PolarHBondContact O-N 3.09Å; M332-Y336 VanDerWaalsContact O-N 3.07Å; M332-Y336 HydrophobicContact SD-CG 4.36Å; Y336-A339 PolarHBondContact O-N 3.08Å; Y336-V340 HydrophobicContact CD1-CG2 4.09Å; Y336-V340 HydrophobicContact CD2-CG2 4.07Å; Y336-V340 HydrophobicContact CE1-CG2 3.69Å; Y336-V340 HydrophobicContact CE2-CG2 3.65Å; Y336-V340 HydrophobicContact CG-CG2 4.29Å; Y336-V340 VanDerWaalsContact CZ-CG2 3.45Å; Y336-V340 WeakPolarHBondContact O-CG2 3.49Å; Y336-V340 PolarHBondContact O-N 2.95Å; Y336-G349 WeakPolarHBondContact CA-O 3.43Å; Y336-G349 PolarHBondContact N-O 3.13Å; Y336-M350 HydrophobicContact CD2-CB 4.48Å; Y336-M350 HydrophobicContact CD2-CE 3.8Å; Y336-M350 HydrophobicContact CE2-CE 3.69Å
337V98.7Very high98.3Very high2 Ų231.9 Ų31.91%0.01216%0.155CC..Hα-helixtrans-62.8-48.7-176.2-1790000112.2F240 V267 A268 M332 A339 V340 S341F240-V337 HydrophobicContact CD1-CG1 3.89Å; F240-V337 HydrophobicContact CE1-CG1 4.09Å; V267-V337 WeakPolarHBondContact O-CG1 3.35Å; A268-V337 HydrophobicContact CB-CG1 4.19Å; M332-V337 WeakPolarHBondContact O-CG2 3.07Å; M332-V337 PolarHBondContact O-N 3.18Å; V337-A339 VanDerWaalsContact C-N 3.3Å; V337-A339 PolarHBondContact O-N 3.19Å; V337-V340 PolarHBondContact O-N 2.82Å; V337-S341 WeakPolarHBondContact O-CB 3.24Å; V337-S341 PolarHBondContact O-N 3.41Å
338P98.9Very high98.3Very high0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-61.8-36.2173.118.6-29.9000112.7V55 T57 A268 M333 S341 C342V55-P338 HydrophobicContact CB-CB 4.49Å; V55-P338 HydrophobicContact CB-CG 4.17Å; V55-P338 WeakPolarHBondContact O-CG 3.23Å; T57-P338 HydrophobicContact CG2-CB 3.89Å; A268-P338 HydrophobicContact CB-CB 4.12Å; M333-P338 WeakPolarHBondContact O-CD 3.48Å; P338-S341 PolarHBondContact O-OG 3.37Å; P338-C342 PolarHBondContact O-N 2.84Å
339A98.9Very high98.3Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-64.8-44.4176.500000112.3V55 S335 Y336 V337 C342 K343 I344 D345V55-A339 HydrophobicContact CG1-CB 4.48Å; V55-A339 HydrophobicContact CG2-CB 4.43Å; S335-A339 WeakPolarHBondContact O-CB 3.4Å; S335-A339 PolarHBondContact O-N 2.91Å; Y336-A339 PolarHBondContact O-N 3.08Å; V337-A339 VanDerWaalsContact C-N 3.3Å; V337-A339 PolarHBondContact O-N 3.19Å; A339-C342 PolarHBondContact O-N 3.41Å; A339-K343 PolarHBondContact O-N 2.81Å; A339-K343 VanDerWaalsContact O-N 3.11Å; A339-I344 HydrophobicContact CB-CG1 4.12Å; A339-I344 WeakPolarHBondContact O-CG1 3.34Å; A339-I344 PolarHBondContact O-N 2.85Å; A339-D345 HydrophobicContact CB-CB 4.1Å; A339-D345 PolarHBondContact O-N 2.77Å
340V98.6Very high98.3Very high38 Ų3825.2 Ų25.223%0.2312%0.122CC..Hα-helixtrans-67.5-43177171.60000111.3F240 Y336 V337 C342 K343 D345F240-V340 HydrophobicContact CE1-CG1 4.43Å; F240-V340 HydrophobicContact CZ-CG1 3.83Å; Y336-V340 HydrophobicContact CD1-CG2 4.09Å; Y336-V340 HydrophobicContact CD2-CG2 4.07Å; Y336-V340 HydrophobicContact CE1-CG2 3.69Å; Y336-V340 HydrophobicContact CE2-CG2 3.65Å; Y336-V340 HydrophobicContact CG-CG2 4.29Å; Y336-V340 VanDerWaalsContact CZ-CG2 3.45Å; Y336-V340 WeakPolarHBondContact O-CG2 3.49Å; Y336-V340 PolarHBondContact O-N 2.95Å; V337-V340 PolarHBondContact O-N 2.82Å; V340-C342 PolarHBondContact O-N 3.21Å; V340-C342 VanDerWaalsContact O-N 3.14Å; V340-K343 PolarHBondContact O-N 3.06Å; V340-D345 HydrophobicContact CG2-CB 3.71Å
341S98.7Very high98.3Very high3 Ų325.5 Ų25.52%0.02112%0.124CC..Hα-helixtrans-60.5-27.8-179.177.90000112.1V188 V337 P338V188-S341 WeakPolarHBondContact CG1-O 3.41Å; V337-S341 WeakPolarHBondContact O-CB 3.24Å; V337-S341 PolarHBondContact O-N 3.41Å; P338-S341 PolarHBondContact O-OG 3.37Å
342C98.6Very high98.2Very high1 Ų127 Ų271%0.00714%0.136CC..THydrogen-bonded Turntrans-102.65.2178.1-65.90000114.5T57 L91 P338 A339 V340 I344T57-C342 HydrophobicContact CG2-CB 4.13Å; T57-C342 VanDerWaalsContact CG2-SG 3.59Å; L91-C342 HydrophobicContact CD1-CB 4.26Å; P338-C342 PolarHBondContact O-N 2.84Å; A339-C342 PolarHBondContact O-N 3.41Å; V340-C342 PolarHBondContact O-N 3.21Å; V340-C342 VanDerWaalsContact O-N 3.14Å; C342-I344 VanDerWaalsContact C-N 3.31Å; C342-I344 HydrophobicContact CB-CD1 4.3Å; C342-I344 HydrophobicContact CB-CG1 4.13Å; C342-I344 PolarHBondContact O-N 3.49Å
343K98.3Very high98.1Very high108 Ų10831.8 Ų31.847%0.4716%0.158SC..THydrogen-bonded Turntrans54.642.5-178-54.9177.9-179.3174.90113.3V188 A339 V340V188-K343 HydrophobicContact CG2-CD 4.08Å; V188-K343 HydrophobicContact CG2-CG 4.01Å; A339-K343 PolarHBondContact O-N 2.81Å; A339-K343 VanDerWaalsContact O-N 3.11Å; V340-K343 PolarHBondContact O-N 3.06Å
344I98.4Very high97.9Very high1 Ų134.5 Ų34.51%0.00519%0.186CC..  trans-122.311.9176.461.5173.5000112.3V55 T57 L91 Q122 K164 A339 C342 D346 K347 C348V55-I344 HydrophobicContact CG1-CD1 4.03Å; T57-I344 HydrophobicContact CG2-CD1 4.29Å; L91-I344 HydrophobicContact CD2-CD1 4.34Å; Q122-I344 HydrophobicContact CB-CB 4.46Å; Q122-I344 HydrophobicContact CB-CD1 3.86Å; Q122-I344 HydrophobicContact CB-CG2 4.42Å; Q122-I344 HydrophobicContact CG-CD1 4.47Å; K164-I344 HydrophobicContact CG-CG2 4.38Å; A339-I344 HydrophobicContact CB-CG1 4.12Å; A339-I344 WeakPolarHBondContact O-CG1 3.34Å; A339-I344 PolarHBondContact O-N 2.85Å; C342-I344 VanDerWaalsContact C-N 3.31Å; C342-I344 HydrophobicContact CB-CD1 4.3Å; C342-I344 HydrophobicContact CB-CG1 4.13Å; C342-I344 PolarHBondContact O-N 3.49Å; I344-D346 PolarHBondContact O-N 2.85Å; I344-K347 PolarHBondContact O-N 3.27Å; I344-C348 PolarHBondContact O-N 2.64Å
345D97.8Very high97.8Very high54 Ų5437.5 Ų37.529%0.28920%0.198SC..THydrogen-bonded Turntrans-67.3-11.317765.5-70.7000113A339 V340 K347 M350 R355A339-D345 HydrophobicContact CB-CB 4.1Å; A339-D345 PolarHBondContact O-N 2.77Å; V340-D345 HydrophobicContact CG2-CB 3.71Å; D345-K347 PolarHBondContact O-N 3.44Å; D345-M350 HydrophobicContact CB-CE 3.93Å; D345-M350 WeakPolarHBondContact O-CE 3.38Å; D345-R355 VanDerWaalsContact O-CZ 3.29Å; D345-R355 PolarHBondContact O-NH1 3.47Å; D345-R355 PolarHBondContact O-NH2 2.85Å
346D96.6Very high97.8Very high93 Ų9340.7 Ų40.750%0.49722%0.215SC..THydrogen-bonded Turntrans-69.5-12.8167.471.2-44.7000113.1I344 R355I344-D346 PolarHBondContact O-N 2.85Å; D346-R355 PolarHBondContact O-NH1 2.81Å; D346-R355 PolarHBondContact O-NH2 2.84Å
347K96.4Very high97.8Very high88 Ų8837.4 Ų37.438%0.38320%0.202SC..THydrogen-bonded Turntrans-121.8-38.2-176.6-61.5175.3-167.5173.80114.5I344 D345I344-K347 PolarHBondContact O-N 3.27Å; D345-K347 PolarHBondContact O-N 3.44Å
348C98.4Very high97.8Very high6 Ų637.8 Ų37.84%0.04120%0.204CC..SBendtrans-140.9179.1-170.861.80000113.7V55 S89 I344 M350V55-C348 HydrophobicContact CG2-CB 4.1Å; S89-C348 WeakPolarHBondContact OG-CB 3.25Å; I344-C348 PolarHBondContact O-N 2.64Å; C348-M350 VanDerWaalsContact C-N 3.35Å; C348-M350 PolarHBondContact O-N 3.45Å
349G98.2Very high97.8Very high4 Ų437.8 Ų37.84%0.04120%0.204CC..SBendtrans83.5-1.4169.700000116.2S335 Y336S335-G349 CarbonylContact C-O 3.46Å; S335-G349 WeakPolarHBondContact CB-O 3.38Å; S335-G349 WeakPolarHBondContact O-CA 3.46Å; S335-G349 PolarHBondContact OG-O 3.12Å; Y336-G349 WeakPolarHBondContact CA-O 3.43Å; Y336-G349 PolarHBondContact N-O 3.13Å
350M97.9Very high97.8Very high20 Ų2037.9 Ų37.910%0.09920%0.204CC..SBendtrans-144.2148.7178.971.7-178.176.600113.1N13 Y336 D345 C348 A352N13-M350 HydrophobicContact CB-CB 4.28Å; Y336-M350 HydrophobicContact CD2-CB 4.48Å; Y336-M350 HydrophobicContact CD2-CE 3.8Å; Y336-M350 HydrophobicContact CE2-CE 3.69Å; D345-M350 HydrophobicContact CB-CE 3.93Å; D345-M350 WeakPolarHBondContact O-CE 3.38Å; C348-M350 VanDerWaalsContact C-N 3.35Å; C348-M350 PolarHBondContact O-N 3.45Å; M350-A352 HydrophobicContact CG-CB 4.2Å; M350-A352 HydrophobicContact SD-CB 4.21Å
351I98.4Very high97.8Very high7 Ų736 Ų364%0.03619%0.193CC..  trans-88112.5165.1-61.6173.9000107.8L12 L22 F29 I50 P52L12-I351 HydrophobicContact CD2-CB 3.95Å; L12-I351 HydrophobicContact CD2-CD1 4.34Å; L12-I351 HydrophobicContact CD2-CG2 3.6Å; L22-I351 HydrophobicContact CD1-CG2 4.27Å; L22-I351 HydrophobicContact CD2-CD1 4.37Å; L22-I351 HydrophobicContact CD2-CG2 3.69Å; F29-I351 HydrophobicContact CD1-CG2 3.9Å; F29-I351 HydrophobicContact CD2-CG2 4.11Å; F29-I351 HydrophobicContact CE1-CG1 4.23Å; F29-I351 HydrophobicContact CE1-CG2 4.03Å; F29-I351 HydrophobicContact CE2-CB 4.26Å; F29-I351 HydrophobicContact CE2-CG1 3.99Å; F29-I351 HydrophobicContact CE2-CG2 4.2Å; F29-I351 HydrophobicContact CG-CG2 3.96Å; F29-I351 HydrophobicContact CZ-CB 4.37Å; F29-I351 HydrophobicContact CZ-CD1 4.45Å; F29-I351 HydrophobicContact CZ-CG1 3.75Å; F29-I351 HydrophobicContact CZ-CG2 4.19Å; I50-I351 HydrophobicContact CG2-CD1 3.89Å; P52-I351 HydrophobicContact CB-CG1 4.19Å; P52-I351 HydrophobicContact CG-CD1 4.47Å; P52-I351 HydrophobicContact CG-CG1 4.01Å
352A95.8Very high97.8Very high30 Ų3035.9 Ų35.925%0.24819%0.192CC..  trans-147.6144.817800000110.7F29 M350 G354 R355F29-A352 WeakPolarHBondContact CB-O 3.45Å; M350-A352 HydrophobicContact CG-CB 4.2Å; M350-A352 HydrophobicContact SD-CB 4.21Å; A352-G354 PolarHBondContact O-N 3Å; A352-R355 HydrophobicContact CB-CG 3.97Å; A352-R355 WeakPolarHBondContact O-CB 3.29Å; A352-R355 WeakPolarHBondContact O-CG 3.49Å; A352-R355 PolarHBondContact O-N 3.49Å; A352-R355 VanDerWaalsContact O-N 3.13Å
353E95.7Very high97.8Very high143 Ų14338.6 Ų38.667%0.66821%0.205SC*.THydrogen-bonded Turntrans-54.4133.7179.3-64.8-173-162.800111.7F29 A31 R355F29-E353 CarbonylContact O-C 3.53Å; F29-E353 WeakPolarHBondContact O-CA 3.46Å; A31-E353 WeakPolarHBondContact CA-OE1 3.47Å; A31-E353 WeakPolarHBondContact CB-OE1 3.29Å; E353-R355 VanDerWaalsContact C-N 3.32Å
354G96.2Very high97.8Very high58 Ų5836.5 Ų36.560%0.59820%0.202SC*.THydrogen-bonded Turntrans83.5-2.6-179.700000115.4F29 A352F29-G354 PolarHBondContact O-N 2.78Å; A352-G354 PolarHBondContact O-N 3Å
355R96.6Very high97.8Very high62 Ų6240.1 Ų40.123%0.23422%0.221CC..SBendtrans-87.1155.6172.1-61.1-62.7-173.298.10.6111.4I28 F29 D345 D346 A352 E353 A357I28-R355 CarbonylContact C-O 3.38Å; I28-R355 WeakPolarHBondContact CA-O 3.24Å; F29-R355 HydrophobicContact CD2-CB 4.22Å; F29-R355 PolarHBondContact N-O 3.47Å; D345-R355 VanDerWaalsContact O-CZ 3.29Å; D345-R355 PolarHBondContact O-NH1 3.47Å; D345-R355 PolarHBondContact O-NH2 2.85Å; D346-R355 PolarHBondContact O-NH1 2.81Å; D346-R355 PolarHBondContact O-NH2 2.84Å; A352-R355 HydrophobicContact CB-CG 3.97Å; A352-R355 WeakPolarHBondContact O-CB 3.29Å; A352-R355 WeakPolarHBondContact O-CG 3.49Å; A352-R355 PolarHBondContact O-N 3.49Å; A352-R355 VanDerWaalsContact O-N 3.13Å; E353-R355 VanDerWaalsContact C-N 3.32Å; R355-A357 PolarHBondContact O-N 3.13Å
356D98.2Very high97.8Very high67 Ų6737.6 Ų37.636%0.35821%0.208SC..BIsolated β-bridgetrans-49.9133.4168.4-64-4.7000110F29 K120 D358F29-D356 VanDerWaalsContact CD2-O 3.27Å; F29-D356 WeakPolarHBondContact CD2-O 3.26Å; F29-D356 WeakPolarHBondContact CE2-O 3.32Å; K120-D356 IonicContact NZ-OD2 3.5Å; K120-D356 PolarHBondContact NZ-OD2 2.84Å; D356-D358 PolarHBondContact O-N 3.39Å
357A98.4Very high97.9Very high0 Ų036.4 Ų36.40%020%0.201CC..  trans-77.259.9-178.400000111.7V24 G27 F29 R355 F359 G375V24-A357 HydrophobicContact CB-CB 4.21Å; V24-A357 HydrophobicContact CG1-CB 4.22Å; G27-A357 WeakPolarHBondContact O-CB 3.38Å; G27-A357 PolarHBondContact O-N 3.04Å; F29-A357 HydrophobicContact CD1-CB 3.93Å; F29-A357 HydrophobicContact CE1-CB 3.88Å; F29-A357 HydrophobicContact CG-CB 4.25Å; F29-A357 VanDerWaalsContact CZ-CA 3.47Å; F29-A357 HydrophobicContact CZ-CB 4.18Å; R355-A357 PolarHBondContact O-N 3.13Å; A357-F359 VanDerWaalsContact O-CD1 3.3Å; A357-F359 WeakPolarHBondContact O-CD1 3.44Å; A357-G375 PolarHBondContact O-N 2.77Å
358D98.8Very high98Very high11 Ų1132.9 Ų32.96%0.05919%0.187CC..  trans-93.8103.4177.2-65.4-10.7000109.4G53 T88 K120 D356 Y372 L373 D374G53-D358 PolarHBondContact N-O 2.86Å; T88-D358 HydrophobicContact CG2-CB 4.16Å; K120-D358 WeakPolarHBondContact CE-OD2 3.4Å; K120-D358 VanDerWaalsContact NZ-CG 3.34Å; K120-D358 IonicContact NZ-OD1 3.93Å; K120-D358 PolarHBondContact NZ-OD1 3.39Å; K120-D358 VanDerWaalsContact NZ-OD1 3.14Å; K120-D358 IonicContact NZ-OD2 3.83Å; K120-D358 PolarHBondContact NZ-OD2 3.22Å; D356-D358 PolarHBondContact O-N 3.39Å; D358-Y372 WeakPolarHBondContact CA-O 3.37Å; D358-L373 HydrophobicContact CB-CD2 4.49Å; D358-L373 VanDerWaalsContact OD1-CA 3.29Å; D358-L373 WeakPolarHBondContact OD1-CA 3.4Å; D358-D374 PolarHBondContact OD1-N 2.92Å
359F98.8Very high98Very high0 Ų033.4 Ų33.40%019%0.19CC..EExtended strand (participates in β ladder)trans-142.6166.3-17762.4-85.4000112.2I5 V24 F29 I50 A51 A357 V361 Y372I5-F359 HydrophobicContact CD1-CD2 4.34Å; I5-F359 HydrophobicContact CD1-CE2 3.35Å; I5-F359 HydrophobicContact CD1-CZ 3.68Å; V24-F359 HydrophobicContact CG1-CE1 4.06Å; F29-F359 HydrophobicContact CE1-CB 4.33Å; F29-F359 AromaticContact CE1-CD1 3.65Å; F29-F359 HydrophobicContact CE1-CD1 3.65Å; F29-F359 HydrophobicContact CE1-CE1 4.39Å; F29-F359 HydrophobicContact CE1-CG 4.3Å; F29-F359 HydrophobicContact CZ-CB 3.92Å; F29-F359 AromaticContact CZ-CD1 3.8Å; F29-F359 HydrophobicContact CZ-CD1 3.8Å; F29-F359 HydrophobicContact CZ-CG 4.29Å; I50-F359 HydrophobicContact CD1-CD2 4.41Å; I50-F359 HydrophobicContact CD1-CE2 4.41Å; I50-F359 HydrophobicContact CG2-CB 4.12Å; I50-F359 HydrophobicContact CG2-CD2 3.78Å; I50-F359 HydrophobicContact CG2-CG 4.12Å; A51-F359 WeakPolarHBondContact O-CA 3.39Å; A51-F359 WeakPolarHBondContact O-CB 3.42Å; A357-F359 VanDerWaalsContact O-CD1 3.3Å; A357-F359 WeakPolarHBondContact O-CD1 3.44Å; F359-V361 HydrophobicContact CD2-CG2 4.43Å; F359-V361 HydrophobicContact CE2-CG2 4.13Å; F359-Y372 HydrophobicContact CD1-CG 4.4Å; F359-Y372 AromaticContact CD2-CD2 3.94Å; F359-Y372 HydrophobicContact CD2-CD2 3.94Å; F359-Y372 HydrophobicContact CD2-CG 4.18Å; F359-Y372 AromaticContact CE1-CD1 3.98Å; F359-Y372 HydrophobicContact CE1-CD1 3.98Å; F359-Y372 HydrophobicContact CE1-CD2 4.45Å; F359-Y372 AromaticContact CE1-CG 3.77Å; F359-Y372 HydrophobicContact CE1-CG 3.77Å; F359-Y372 HydrophobicContact CE2-CD1 4.03Å; F359-Y372 AromaticContact CE2-CD2 3.32Å; F359-Y372 HydrophobicContact CE2-CD2 3.32Å; F359-Y372 HydrophobicContact CE2-CE1 4.39Å; F359-Y372 AromaticContact CE2-CE2 3.74Å; F359-Y372 HydrophobicContact CE2-CE2 3.74Å; F359-Y372 AromaticContact CE2-CG 3.5Å; F359-Y372 HydrophobicContact CE2-CG 3.5Å; F359-Y372 VanDerWaalsContact CE2-CG 3.5Å; F359-Y372 AromaticContact CZ-CD1 3.42Å; F359-Y372 HydrophobicContact CZ-CD1 3.42Å; F359-Y372 VanDerWaalsContact CZ-CD1 3.42Å; F359-Y372 AromaticContact CZ-CD2 3.63Å; F359-Y372 HydrophobicContact CZ-CD2 3.63Å; F359-Y372 AromaticContact CZ-CE1 3.93Å; F359-Y372 HydrophobicContact CZ-CE1 3.93Å; F359-Y372 HydrophobicContact CZ-CE2 4.1Å; F359-Y372 AromaticContact CZ-CG 3.27Å; F359-Y372 HydrophobicContact CZ-CG 3.27Å; F359-Y372 PolarHBondContact N-O 2.83Å; F359-Y372 PolarHBondContact O-N 3.44Å
360I98.9Very high98.1Very high1 Ų133.2 Ų33.21%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-118.2150.7171.261.9-179.6000110.7A51 L54 G86 L362 L368 A370 T371A51-I360 HydrophobicContact CB-CD1 4.13Å; A51-I360 HydrophobicContact CB-CG1 3.76Å; A51-I360 PolarHBondContact N-O 3.39Å; A51-I360 PolarHBondContact O-N 3.15Å; L54-I360 HydrophobicContact CD1-CD1 4.33Å; L54-I360 HydrophobicContact CD2-CD1 3.75Å; L54-I360 HydrophobicContact CG-CD1 3.87Å; G86-I360 VanDerWaalsContact O-CG2 3.32Å; G86-I360 WeakPolarHBondContact O-CG2 3.41Å; I360-L362 HydrophobicContact CD1-CD1 4.05Å; I360-L362 HydrophobicContact CD1-CD2 3.79Å; I360-L362 HydrophobicContact CD1-CG 3.99Å; I360-L362 HydrophobicContact CG1-CD1 4.45Å; I360-L362 HydrophobicContact CG1-CD2 4.25Å; I360-L362 HydrophobicContact CG1-CG 4.1Å; I360-L368 HydrophobicContact CB-CD1 3.72Å; I360-L368 HydrophobicContact CD1-CD1 4.43Å; I360-L368 HydrophobicContact CG2-CD1 3.87Å; I360-A370 WeakPolarHBondContact CA-O 3.11Å; I360-T371 HydrophobicContact CG2-CG2 4.12Å
361V98.9Very high98.1Very high0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-102.2125.9170.2-174.30000107.7Q45 K48 W49 I50 F359 V369 A370 Y372Q45-V361 HydrophobicContact CB-CG1 4.38Å; Q45-V361 HydrophobicContact CG-CG1 4.22Å; Q45-V361 HydrophobicContact CG-CG2 4.29Å; K48-V361 HydrophobicContact CB-CG1 3.6Å; K48-V361 HydrophobicContact CG-CG1 3.88Å; W49-V361 WeakPolarHBondContact O-CA 3.31Å; I50-V361 HydrophobicContact CD1-CB 4.36Å; I50-V361 HydrophobicContact CD1-CG1 4.28Å; I50-V361 HydrophobicContact CD1-CG2 3.8Å; F359-V361 HydrophobicContact CD2-CG2 4.43Å; F359-V361 HydrophobicContact CE2-CG2 4.13Å; V361-V369 HydrophobicContact CB-CB 4.11Å; V361-V369 HydrophobicContact CG1-CB 3.98Å; V361-V369 HydrophobicContact CG1-CG1 4.3Å; V361-V369 HydrophobicContact CG1-CG2 4.44Å; V361-V369 WeakPolarHBondContact O-CB 3.25Å; V361-V369 PolarHBondContact O-N 3.3Å; V361-A370 HydrophobicContact CB-CB 4.15Å; V361-A370 HydrophobicContact CG2-CB 4.11Å; V361-A370 PolarHBondContact N-O 2.89Å; V361-A370 PolarHBondContact O-N 3.44Å; V361-Y372 HydrophobicContact CG2-CD2 4.17Å; V361-Y372 HydrophobicContact CG2-CE2 3.65Å
362L98.9Very high98.1Very high0 Ų032.3 Ų32.30%018%0.183CC..EExtended strand (participates in β ladder)trans-118.6143.6-178.4-62.9178000111K48 W49 A51 I316 V331 I360 M366 D367 L368K48-L362 WeakPolarHBondContact CA-O 3.17Å; W49-L362 HydrophobicContact CB-CB 4.48Å; W49-L362 PolarHBondContact N-O 3.39Å; W49-L362 PolarHBondContact O-N 2.95Å; A51-L362 HydrophobicContact CB-CD1 4.02Å; I316-L362 HydrophobicContact CD1-CD1 4.38Å; I316-L362 HydrophobicContact CD1-CD2 4.44Å; V331-L362 HydrophobicContact CG2-CD1 4.26Å; I360-L362 HydrophobicContact CD1-CD1 4.05Å; I360-L362 HydrophobicContact CD1-CD2 3.79Å; I360-L362 HydrophobicContact CD1-CG 3.99Å; I360-L362 HydrophobicContact CG1-CD1 4.45Å; I360-L362 HydrophobicContact CG1-CD2 4.25Å; I360-L362 HydrophobicContact CG1-CG 4.1Å; L362-M366 HydrophobicContact CD1-CE 3.68Å; L362-M366 HydrophobicContact CD1-SD 4.43Å; L362-D367 CarbonylContact C-O 3.48Å; L362-D367 WeakPolarHBondContact CA-O 3.31Å; L362-L368 HydrophobicContact CD2-CB 4.46Å; L362-L368 HydrophobicContact CD2-CD1 4.15Å
363E98.7Very high98.3Very high58 Ų5831.1 Ų31.127%0.27117%0.172SC..  trans-67.1156.3158.6-67.6-66.9-178.600110.5K48 N365 M366 D367 V369K48-E363 WeakPolarHBondContact CD-OE2 3.4Å; K48-E363 IonicContact NZ-OE1 3.22Å; K48-E363 PolarHBondContact NZ-OE1 3.06Å; K48-E363 IonicContact NZ-OE2 2.81Å; K48-E363 PolarHBondContact NZ-OE2 2.89Å; E363-N365 WeakPolarHBondContact CB-OD1 3.41Å; E363-N365 PolarHBondContact O-N 3Å; E363-M366 WeakPolarHBondContact O-CA 3.37Å; E363-M366 PolarHBondContact O-N 2.89Å; E363-D367 HydrophobicContact CB-CB 4.14Å; E363-D367 HydrophobicContact CG-CB 4.13Å; E363-D367 PolarHBondContact N-O 3.01Å; E363-V369 HydrophobicContact CG-CG2 3.71Å
364P98Very high98.4Very high64 Ų6427.6 Ų27.642%0.41616%0.158SC..THydrogen-bonded Turntrans-57.4-16.3173.9-28.537000115.6G47 W49 M366G47-P364 WeakPolarHBondContact O-CG 3.4Å; W49-P364 HydrophobicContact CH2-CB 4.05Å; W49-P364 VanDerWaalsContact CH2-O 3.24Å; W49-P364 WeakPolarHBondContact CH2-O 3.47Å; W49-P364 HydrophobicContact CZ2-CB 3.57Å; W49-P364 HydrophobicContact CZ2-CG 4.27Å; W49-P364 WeakPolarHBondContact CZ3-O 3.49Å; P364-M366 VanDerWaalsContact C-N 3.35Å
365N97.8Very high98.5Very high76 Ų7625.5 Ų25.541%0.40614%0.137SC..THydrogen-bonded Turntrans-95.313.1175.873.4-13.3000113.2K317 E363 D367K317-N365 PolarHBondContact NZ-O 2.88Å; E363-N365 WeakPolarHBondContact CB-OD1 3.41Å; E363-N365 PolarHBondContact O-N 3Å; N365-D367 VanDerWaalsContact C-N 3.3Å; N365-D367 PolarHBondContact ND2-OD2 3.47Å; N365-D367 PolarHBondContact O-N 2.55Å; N365-D367 WeakPolarHBondContact OD1-CB 3.47Å; N365-D367 PolarHBondContact OD1-N 3.5Å; N365-D367 VanDerWaalsContact OD1-N 3.13Å; N365-D367 PolarHBondContact OD1-OD2 2.85Å
366M98.4Very high98.6Very high2 Ų226.7 Ų26.71%0.0115%0.151CC..SBendtrans71.97.8-179.2-49.9-55.7-69.600116W49 I316 K317 V320 P327 V331 L362 E363 P364 L368W49-M366 HydrophobicContact CE3-SD 4.14Å; W49-M366 HydrophobicContact CZ3-SD 3.83Å; I316-M366 HydrophobicContact CD1-CE 4.15Å; K317-M366 HydrophobicContact CB-CB 4.35Å; V320-M366 HydrophobicContact CB-CG 4.32Å; V320-M366 HydrophobicContact CG1-CG 4.24Å; V320-M366 HydrophobicContact CG2-CG 4.12Å; P327-M366 HydrophobicContact CB-CE 4.29Å; P327-M366 HydrophobicContact CB-SD 3.75Å; P327-M366 HydrophobicContact CG-SD 4.27Å; V331-M366 HydrophobicContact CG2-CE 3.71Å; L362-M366 HydrophobicContact CD1-CE 3.68Å; L362-M366 HydrophobicContact CD1-SD 4.43Å; E363-M366 WeakPolarHBondContact O-CA 3.37Å; E363-M366 PolarHBondContact O-N 2.89Å; P364-M366 VanDerWaalsContact C-N 3.35Å; M366-L368 PolarHBondContact O-N 2.88Å
367D98.7Very high98.6Very high67 Ų6727.5 Ų27.536%0.35815%0.152SC..  trans-67.4133.7172.6-66.7-26.9000110.5K317 L362 E363 N365 V369K317-D367 WeakPolarHBondContact CD-OD1 3.23Å; K317-D367 VanDerWaalsContact CE-OD1 3.31Å; K317-D367 WeakPolarHBondContact CE-OD1 3.3Å; L362-D367 CarbonylContact C-O 3.48Å; L362-D367 WeakPolarHBondContact CA-O 3.31Å; E363-D367 HydrophobicContact CB-CB 4.14Å; E363-D367 HydrophobicContact CG-CB 4.13Å; E363-D367 PolarHBondContact N-O 3.01Å; N365-D367 VanDerWaalsContact C-N 3.3Å; N365-D367 PolarHBondContact ND2-OD2 3.47Å; N365-D367 PolarHBondContact O-N 2.55Å; N365-D367 WeakPolarHBondContact OD1-CB 3.47Å; N365-D367 PolarHBondContact OD1-N 3.5Å; N365-D367 VanDerWaalsContact OD1-N 3.13Å; N365-D367 PolarHBondContact OD1-OD2 2.85Å; D367-V369 PolarHBondContact O-N 2.91Å
368L98.8Very high98.6Very high14 Ų1431.7 Ų31.77%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-70.7125.8176.2-17871.4000110.3S84 K313 I360 L362 M366 A370 Y379 A381S84-L368 WeakPolarHBondContact O-CD2 3.38Å; K313-L368 HydrophobicContact CD-CB 3.77Å; K313-L368 HydrophobicContact CD-CD2 3.78Å; K313-L368 HydrophobicContact CD-CG 4.44Å; I360-L368 HydrophobicContact CB-CD1 3.72Å; I360-L368 HydrophobicContact CD1-CD1 4.43Å; I360-L368 HydrophobicContact CG2-CD1 3.87Å; L362-L368 HydrophobicContact CD2-CB 4.46Å; L362-L368 HydrophobicContact CD2-CD1 4.15Å; M366-L368 PolarHBondContact O-N 2.88Å; L368-A370 WeakPolarHBondContact CD1-O 3.41Å; L368-Y379 HydrophobicContact CD2-CD1 4.22Å; L368-Y379 HydrophobicContact CD2-CE1 4.04Å; L368-A381 WeakPolarHBondContact O-CB 3.31Å
369V98.8Very high98.6Very high17 Ų1734.1 Ų34.110%0.10318%0.177CC..EExtended strand (participates in β ladder)trans-97.4-49.3173.4179.20000110.7K48 V361 E363 D367 H380 A381K48-V369 HydrophobicContact CD-CG2 4.31Å; V361-V369 HydrophobicContact CB-CB 4.11Å; V361-V369 HydrophobicContact CG1-CB 3.98Å; V361-V369 HydrophobicContact CG1-CG1 4.3Å; V361-V369 HydrophobicContact CG1-CG2 4.44Å; V361-V369 WeakPolarHBondContact O-CB 3.25Å; V361-V369 PolarHBondContact O-N 3.3Å; E363-V369 HydrophobicContact CG-CG2 3.71Å; D367-V369 PolarHBondContact O-N 2.91Å; V369-H380 WeakPolarHBondContact O-CA 3.48Å; V369-A381 WeakPolarHBondContact O-CB 3.47Å; V369-A381 PolarHBondContact O-N 3.45Å
370A98.9Very high98.6Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-152.8155.8-175.900000111.9I360 V361 L368 Y372 E377 Y379I360-A370 WeakPolarHBondContact CA-O 3.11Å; V361-A370 HydrophobicContact CB-CB 4.15Å; V361-A370 HydrophobicContact CG2-CB 4.11Å; V361-A370 PolarHBondContact N-O 2.89Å; V361-A370 PolarHBondContact O-N 3.44Å; L368-A370 WeakPolarHBondContact CD1-O 3.41Å; A370-Y372 HydrophobicContact CB-CD2 4.35Å; A370-Y372 HydrophobicContact CB-CE2 3.78Å; A370-E377 HydrophobicContact CB-CG 4.29Å; A370-Y379 CarbonylContact C-O 3.58Å; A370-Y379 WeakPolarHBondContact CA-O 3.48Å; A370-Y379 WeakPolarHBondContact CB-O 3.38Å
371T98.9Very high98.4Very high0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-124.9131.4173.2-56.80000109.5L83 G86 T88 I360 R378 Y379L83-T371 HydrophobicContact CB-CG2 4.46Å; L83-T371 HydrophobicContact CD2-CG2 3.83Å; L83-T371 PolarHBondContact O-OG1 3.05Å; G86-T371 WeakPolarHBondContact CA-OG1 3.39Å; T88-T371 HydrophobicContact CG2-CG2 3.71Å; I360-T371 HydrophobicContact CG2-CG2 4.12Å; T371-R378 PolarHBondContact O-N 3.45Å; T371-Y379 PolarHBondContact N-O 3.1Å; T371-Y379 PolarHBondContact O-N 3.15Å
372Y98.8Very high98.4Very high8 Ų846 Ų463%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-113.6139.3-178.9-72.1-110.2000109.9I43 Q45 D358 F359 V361 A370 V376 E377I43-Y372 HydrophobicContact CD1-CE1 4.46Å; Q45-Y372 PolarHBondContact NE2-OH 3.18Å; D358-Y372 WeakPolarHBondContact CA-O 3.37Å; F359-Y372 HydrophobicContact CD1-CG 4.4Å; F359-Y372 AromaticContact CD2-CD2 3.94Å; F359-Y372 HydrophobicContact CD2-CD2 3.94Å; F359-Y372 HydrophobicContact CD2-CG 4.18Å; F359-Y372 AromaticContact CE1-CD1 3.98Å; F359-Y372 HydrophobicContact CE1-CD1 3.98Å; F359-Y372 HydrophobicContact CE1-CD2 4.45Å; F359-Y372 AromaticContact CE1-CG 3.77Å; F359-Y372 HydrophobicContact CE1-CG 3.77Å; F359-Y372 HydrophobicContact CE2-CD1 4.03Å; F359-Y372 AromaticContact CE2-CD2 3.32Å; F359-Y372 HydrophobicContact CE2-CD2 3.32Å; F359-Y372 HydrophobicContact CE2-CE1 4.39Å; F359-Y372 AromaticContact CE2-CE2 3.74Å; F359-Y372 HydrophobicContact CE2-CE2 3.74Å; F359-Y372 AromaticContact CE2-CG 3.5Å; F359-Y372 HydrophobicContact CE2-CG 3.5Å; F359-Y372 VanDerWaalsContact CE2-CG 3.5Å; F359-Y372 AromaticContact CZ-CD1 3.42Å; F359-Y372 HydrophobicContact CZ-CD1 3.42Å; F359-Y372 VanDerWaalsContact CZ-CD1 3.42Å; F359-Y372 AromaticContact CZ-CD2 3.63Å; F359-Y372 HydrophobicContact CZ-CD2 3.63Å; F359-Y372 AromaticContact CZ-CE1 3.93Å; F359-Y372 HydrophobicContact CZ-CE1 3.93Å; F359-Y372 HydrophobicContact CZ-CE2 4.1Å; F359-Y372 AromaticContact CZ-CG 3.27Å; F359-Y372 HydrophobicContact CZ-CG 3.27Å; F359-Y372 PolarHBondContact N-O 2.83Å; F359-Y372 PolarHBondContact O-N 3.44Å; V361-Y372 HydrophobicContact CG2-CD2 4.17Å; V361-Y372 HydrophobicContact CG2-CE2 3.65Å; A370-Y372 HydrophobicContact CB-CD2 4.35Å; A370-Y372 HydrophobicContact CB-CE2 3.78Å; Y372-V376 CarbonylContact C-O 3.58Å; Y372-V376 WeakPolarHBondContact CA-O 3.43Å; Y372-E377 HydrophobicContact CD1-CB 4.07Å; Y372-E377 HydrophobicContact CE1-CB 3.58Å; Y372-E377 HydrophobicContact CE1-CG 4.34Å; Y372-E377 HydrophobicContact CE2-CB 4.24Å; Y372-E377 HydrophobicContact CE2-CG 4.1Å; Y372-E377 PolarHBondContact OH-OE2 3.28Å
373L98.8Very high98.4Very high5 Ų548.4 Ų48.43%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-121.2133.6165.3-63.3178.9000108.4L83 T88 G118 D358 G375 V376 R378L83-L373 HydrophobicContact CD1-CD1 4.39Å; L83-L373 HydrophobicContact CD2-CD1 3.78Å; L83-L373 HydrophobicContact CD2-CD2 4.15Å; L83-L373 HydrophobicContact CD2-CG 3.9Å; T88-L373 HydrophobicContact CG2-CD2 3.7Å; G118-L373 VanDerWaalsContact C-CD1 3.49Å; G118-L373 WeakPolarHBondContact O-CD1 3.39Å; D358-L373 HydrophobicContact CB-CD2 4.49Å; D358-L373 VanDerWaalsContact OD1-CA 3.29Å; D358-L373 WeakPolarHBondContact OD1-CA 3.4Å; L373-G375 PolarHBondContact O-N 2.93Å; L373-G375 VanDerWaalsContact O-N 3.11Å; L373-V376 PolarHBondContact N-O 2.89Å; L373-V376 PolarHBondContact O-N 2.83Å; L373-R378 HydrophobicContact CB-CG 3.84Å; L373-R378 HydrophobicContact CD1-CG 4.18Å; L373-R378 HydrophobicContact CG-CG 4Å
374D98.1Very high98.3Very high69 Ų6947.9 Ų47.937%0.36926%0.263SS..THydrogen-bonded Turntrans48.442.5178.8-52.1-49.1000111.6G27 K120 D358 V376G27-D374 WeakPolarHBondContact CA-O 3.26Å; K120-D374 IonicContact NZ-OD1 3.41Å; K120-D374 PolarHBondContact NZ-OD1 2.94Å; K120-D374 IonicContact NZ-OD2 3.14Å; D358-D374 PolarHBondContact OD1-N 2.92Å; D374-V376 PolarHBondContact O-N 2.56Å
375G97.9Very high98.4Very high15 Ų1546.9 Ų46.916%0.15525%0.254CS..THydrogen-bonded Turntrans73.31.7178.600000115.7A357 L373A357-G375 PolarHBondContact O-N 2.77Å; L373-G375 PolarHBondContact O-N 2.93Å; L373-G375 VanDerWaalsContact O-N 3.11Å
376V98.2Very high98.4Very high87 Ų8745.1 Ų45.153%0.52725%0.245SC..EExtended strand (participates in β ladder)trans-103.7133.5179.9-178.50000110.2Y372 L373 D374 R378Y372-V376 CarbonylContact C-O 3.58Å; Y372-V376 WeakPolarHBondContact CA-O 3.43Å; L373-V376 PolarHBondContact N-O 2.89Å; L373-V376 PolarHBondContact O-N 2.83Å; D374-V376 PolarHBondContact O-N 2.56Å; V376-R378 WeakPolarHBondContact O-CG 3.27Å; V376-R378 PolarHBondContact O-N 2.92Å
377E98.5Very high98.4Very high84 Ų8448 Ų4839%0.39326%0.26SS..EExtended strand (participates in β ladder)trans-66.4119.3173.8-169.2-179.894.900109.2A370 Y372 H380A370-E377 HydrophobicContact CB-CG 4.29Å; Y372-E377 HydrophobicContact CD1-CB 4.07Å; Y372-E377 HydrophobicContact CE1-CB 3.58Å; Y372-E377 HydrophobicContact CE1-CG 4.34Å; Y372-E377 HydrophobicContact CE2-CB 4.24Å; Y372-E377 HydrophobicContact CE2-CG 4.1Å; Y372-E377 PolarHBondContact OH-OE2 3.28Å; E377-H380 IonicContact OE1-CG 2.77Å; E377-H380 IonicContact OE1-ND1 2.64Å; E377-H380 IonicContact OE2-ND1 3.93Å; E377-H380 PolarHBondContact OE2-ND1 3.17Å
378R98.6Very high98.4Very high88 Ų8846.6 Ų46.633%0.33225%0.253SS..EExtended strand (participates in β ladder)trans-111-20-178.6-61.8-59.9-59.3-73.4-11.9113.2E80 L83 D117 T371 L373 V376E80-R378 IonicContact OE1-NH2 3.47Å; E80-R378 PolarHBondContact OE1-NH2 2.78Å; E80-R378 IonicContact OE2-NH2 3.47Å; E80-R378 PolarHBondContact OE2-NH2 3.05Å; L83-R378 HydrophobicContact CD1-CB 3.68Å; D117-R378 PolarHBondContact O-NH1 2.98Å; D117-R378 PolarHBondContact O-NH2 3.22Å; T371-R378 PolarHBondContact O-N 3.45Å; L373-R378 HydrophobicContact CB-CG 3.84Å; L373-R378 HydrophobicContact CD1-CG 4.18Å; L373-R378 HydrophobicContact CG-CG 4Å; V376-R378 WeakPolarHBondContact O-CG 3.27Å; V376-R378 PolarHBondContact O-N 2.92Å
379Y98.7Very high98.3Very high61 Ų6149.2 Ų49.224%0.23927%0.267CS..EExtended strand (participates in β ladder)trans-145.7140.9174.4174.4-94.5000110.2L368 A370 T371 A381L368-Y379 HydrophobicContact CD2-CD1 4.22Å; L368-Y379 HydrophobicContact CD2-CE1 4.04Å; A370-Y379 CarbonylContact C-O 3.58Å; A370-Y379 WeakPolarHBondContact CA-O 3.48Å; A370-Y379 WeakPolarHBondContact CB-O 3.38Å; T371-Y379 PolarHBondContact N-O 3.1Å; T371-Y379 PolarHBondContact O-N 3.15Å; Y379-A381 HydrophobicContact CE1-CB 3.9Å
380H98.6Very high98.3Very high109 Ų10951.8 Ų51.851%0.50528%0.281SS..EExtended strand (participates in β ladder)trans-130.9133.1171.1-162100.4000108.4V369 E377V369-H380 WeakPolarHBondContact O-CA 3.48Å; E377-H380 IonicContact OE1-CG 2.77Å; E377-H380 IonicContact OE1-ND1 2.64Å; E377-H380 IonicContact OE2-ND1 3.93Å; E377-H380 PolarHBondContact OE2-ND1 3.17Å
381A95.5Very high98.2Very high96 Ų9656.5 Ų56.579%0.79331%0.306SS*.  trans-76.70-17000000115.3L368 V369 Y379L368-A381 WeakPolarHBondContact O-CB 3.31Å; V369-A381 WeakPolarHBondContact O-CB 3.47Å; V369-A381 PolarHBondContact O-N 3.45Å; Y379-A381 HydrophobicContact CE1-CB 3.9Å

Retrieved 381 of 381 residues in 80.9 ms (Link to these results)

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