A0A077Z343_TRITR Loading...

Rho family small GTP binding protein cdc42

AlphaFold DB , UniProt , Accession A0A077Z343, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M66.4Low94.4Very high148 Ų14838 Ų3873%0.72919%0.194SC*.  0125.80-178.4159.157.800107.5T43 P50 T52M1-T43 HydrophobicContact SD-CG2 4.35Å; M1-P50 WeakPolarHBondContact CG-O 3.38Å; M1-P50 HydrophobicContact SD-CB 4.22Å; M1-T52 WeakPolarHBondContact CE-OG1 3.44Å; M1-T52 PolarHBondContact SD-OG1 2.88Å; M1-T52 VanDerWaalsContact SD-OG1 3.35Å
2Q88.6Confident94.5Very high123 Ų12337.6 Ų37.658%0.57521%0.206SC*.EExtended strand (participates in β ladder)trans-73.3144.8176.6-65.2-174.614.900109.2Y51 T52Q2-Y51 HydrophobicContact CB-CD1 3.68Å; Q2-Y51 HydrophobicContact CB-CE1 3.62Å; Q2-Y51 HydrophobicContact CG-CE1 4.26Å; Q2-T52 PolarHBondContact O-N 2.8Å
3T94.7Very high94.6Very high89 Ų8939.2 Ų39.255%0.54623%0.227SC..EExtended strand (participates in β ladder)trans-114.2131.9178.2-58.60000108.4T52T3-T52 CarbonylContact C-O 3.51Å; T3-T52 VanDerWaalsContact CA-O 3.27Å; T3-T52 WeakPolarHBondContact CA-O 3.5Å; T3-T52 HydrophobicContact CG2-CG2 4.31Å
4I97.7Very high94.8Very high6 Ų636.6 Ų36.63%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-106121.1169.9-61.1171.5000106.5I46 Y51 T52 L53 G54 D76 I173 A176 L177I4-I46 HydrophobicContact CD1-CD1 4.17Å; I4-Y51 HydrophobicContact CD1-CD1 4Å; I4-Y51 HydrophobicContact CG1-CD1 4.2Å; I4-T52 PolarHBondContact N-O 2.92Å; I4-L53 HydrophobicContact CB-CD1 4.02Å; I4-L53 HydrophobicContact CG2-CD1 3.85Å; I4-L53 WeakPolarHBondContact O-CA 3.34Å; I4-G54 PolarHBondContact O-N 2.87Å; I4-D76 WeakPolarHBondContact CA-OD2 3.48Å; I4-D76 HydrophobicContact CG2-CB 4.21Å; I4-I173 HydrophobicContact CD1-CG1 4.42Å; I4-I173 HydrophobicContact CD1-CG2 4.01Å; I4-A176 HydrophobicContact CG2-CB 3.57Å; I4-L177 HydrophobicContact CD1-CD1 4.19Å; I4-L177 HydrophobicContact CD1-CD2 3.9Å; I4-L177 HydrophobicContact CD1-CG 3.91Å; I4-L177 HydrophobicContact CG1-CD2 4.38Å
5K98.2Very high95Very high30 Ų3035.1 Ų35.113%0.1321%0.208CC..EExtended strand (participates in β ladder)trans-94.3113.4174.9177.2169.4175-176.70110.2V7 F56 S71 P73 D76 V77K5-V7 HydrophobicContact CG-CG2 4.32Å; K5-F56 HydrophobicContact CB-CE2 4.44Å; K5-F56 HydrophobicContact CD-CD2 4.25Å; K5-F56 HydrophobicContact CD-CE1 4.45Å; K5-F56 HydrophobicContact CD-CE2 3.85Å; K5-F56 HydrophobicContact CD-CZ 3.96Å; K5-F56 HydrophobicContact CG-CD2 3.77Å; K5-F56 HydrophobicContact CG-CE2 3.61Å; K5-F56 HydrophobicContact CG-CZ 4.25Å; K5-S71 WeakPolarHBondContact CE-O 3.21Å; K5-S71 PolarHBondContact NZ-O 2.89Å; K5-P73 PolarHBondContact NZ-O 3.26Å; K5-D76 PolarHBondContact N-OD2 2.74Å; K5-D76 PolarHBondContact O-N 2.9Å; K5-V77 PolarHBondContact O-N 3.26Å
6C98.7Very high95.2Very high0 Ų033.5 Ų33.50%020%0.197CC..EExtended strand (participates in β ladder)trans-107.3120.3172.31800000109.8L53 G54 L55 F56 V77C6-L53 HydrophobicContact CB-CD1 4.03Å; C6-G54 PolarHBondContact N-O 3.1Å; C6-L55 HydrophobicContact CB-CD2 4.01Å; C6-F56 PolarHBondContact O-N 3.3Å; C6-V77 VanDerWaalsContact CA-O 3.32Å; C6-V77 WeakPolarHBondContact CA-O 2.85Å; C6-V77 HydrophobicContact CB-CG1 3.82Å
7V98.8Very high95.3Very high0 Ų033 Ų330%020%0.195CC..EExtended strand (participates in β ladder)trans-104.1127.8174.5-1800000109.8K5 V9 F56 T58 Y72 T75 V77 F78 L79K5-V7 HydrophobicContact CG-CG2 4.32Å; V7-V9 HydrophobicContact CG1-CG1 4.07Å; V7-F56 HydrophobicContact CB-CB 4.33Å; V7-F56 HydrophobicContact CG1-CB 4.39Å; V7-F56 HydrophobicContact CG2-CB 3.86Å; V7-F56 HydrophobicContact CG2-CG 4.25Å; V7-T58 HydrophobicContact CG1-CG2 3.84Å; V7-Y72 HydrophobicContact CG1-CD1 3.97Å; V7-Y72 HydrophobicContact CG1-CE1 3.9Å; V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.74Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.22Å; V7-V77 PolarHBondContact N-O 3.41Å; V7-V77 VanDerWaalsContact N-O 3.1Å; V7-F78 HydrophobicContact CB-CD1 3.78Å; V7-F78 HydrophobicContact CB-CE1 3.74Å; V7-F78 HydrophobicContact CG1-CD1 4.1Å; V7-F78 HydrophobicContact CG1-CE1 3.89Å; V7-F78 HydrophobicContact CG2-CE1 4.4Å; V7-F78 WeakPolarHBondContact O-CA 3.43Å; V7-L79 PolarHBondContact O-N 2.97Å
8V98.8Very high95.4Very high0 Ų032.4 Ų32.40%019%0.192CC..EExtended strand (participates in β ladder)trans-101.3122.8-179-166.90000109.8K16 L20 F56 T58 L79 C81V8-K16 HydrophobicContact CG1-CB 3.86Å; V8-K16 HydrophobicContact CG1-CD 3.97Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-L20 HydrophobicContact CB-CD1 4.49Å; V8-L20 HydrophobicContact CG2-CD1 4.04Å; V8-L20 HydrophobicContact CG2-CD2 3.69Å; V8-L20 HydrophobicContact CG2-CG 4.21Å; V8-F56 PolarHBondContact N-O 2.99Å; V8-T58 PolarHBondContact O-OG1 3.01Å; V8-L79 WeakPolarHBondContact CA-O 3.5Å; V8-L79 HydrophobicContact CG1-CB 4.25Å; V8-L79 HydrophobicContact CG1-CD2 4.18Å; V8-L79 HydrophobicContact CG1-CG 4.41Å; V8-L79 HydrophobicContact CG2-CB 4.2Å; V8-L79 HydrophobicContact CG2-CD2 4.31Å; V8-C81 VanDerWaalsContact CG1-SG 3.6Å
9V98.8Very high95.5Very high0 Ų030.7 Ų30.70%018%0.182CC..EExtended strand (participates in β ladder)trans-127.8165.3-178.9-57.70000110.6V7 K16 Y72 F78 L79 V80 C81 W97 I101V7-V9 HydrophobicContact CG1-CG1 4.07Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; V9-Y72 HydrophobicContact CG1-CE1 3.86Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.21Å; V9-F78 HydrophobicContact CG1-CD1 4.28Å; V9-L79 PolarHBondContact N-O 3.45Å; V9-V80 HydrophobicContact CG2-CB 4.29Å; V9-V80 HydrophobicContact CG2-CG1 4.33Å; V9-V80 HydrophobicContact CG2-CG2 3.85Å; V9-C81 PolarHBondContact O-N 3.32Å; V9-W97 HydrophobicContact CB-CE3 3.87Å; V9-W97 HydrophobicContact CB-CZ3 4.22Å; V9-W97 HydrophobicContact CG2-CE3 4.28Å; V9-I101 HydrophobicContact CG1-CG2 4.31Å; V9-I101 HydrophobicContact CG2-CG2 3.97Å
10G98.8Very high95.6Very high0 Ų029.2 Ų29.20%017%0.173CC..EExtended strand (participates in β ladder)trans138.5166.7-174.600000112K16 G60 C81 W97G10-K16 PolarHBondContact O-NZ 2.99Å; G10-G60 WeakPolarHBondContact O-CA 3.28Å; G10-C81 VanDerWaalsContact CA-O 3.32Å; G10-C81 WeakPolarHBondContact CA-O 3.17Å; G10-W97 WeakPolarHBondContact O-CH2 3.12Å; G10-W97 WeakPolarHBondContact O-CZ2 3.27Å
11D98.5Very high95.6Very high22 Ų2229.6 Ų29.612%0.11817%0.174CC..  trans-54162.1-176.7-82.412.6000113.6V14 K16 S89 N92 W97D11-V14 HydrophobicContact CB-CG1 3.65Å; D11-V14 WeakPolarHBondContact O-CG2 3.46Å; D11-K16 PolarHBondContact O-NZ 3.18Å; D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.38Å; D11-N92 WeakPolarHBondContact OD1-CB 2.96Å; D11-N92 PolarHBondContact OD1-ND2 3.35Å; D11-N92 PolarHBondContact OD2-ND2 2.81Å; D11-W97 PolarHBondContact OD1-NE1 2.95Å
12G95.7Very high97.1Very high33 Ų3322.6 Ų22.634%0.3414%0.14SC..THydrogen-bonded Turntrans-55.8146.4166.400000111.4V14 G60G12-V14 PolarHBondContact O-N 2.74Å; G12-G60 PolarHBondContact N-O 2.93Å
13A95.6Very high97.5Very high59 Ų5918.8 Ų18.849%0.48812%0.12SC..THydrogen-bonded Turntrans58.613.1174.400000117.4G15 Y32 Q116A13-G15 PolarHBondContact O-N 3.42Å; A13-Y32 PolarHBondContact N-OH 2.88Å; A13-Q116 PolarHBondContact O-NE2 2.63Å
14V98Very high97.4Very high2 Ų216.2 Ų16.21%0.01211%0.105CC..SBendtrans-73.9-16.5172.3-56.70000112.6D11 G12 K16 C81 T115 Q116D11-V14 HydrophobicContact CB-CG1 3.65Å; D11-V14 WeakPolarHBondContact O-CG2 3.46Å; G12-V14 PolarHBondContact O-N 2.74Å; V14-K16 HydrophobicContact CG2-CD 4.42Å; V14-K16 HydrophobicContact CG2-CG 3.72Å; V14-C81 HydrophobicContact CG2-CB 3.89Å; V14-T115 WeakPolarHBondContact O-CB 2.97Å; V14-T115 PolarHBondContact O-OG1 3.05Å; V14-Q116 PolarHBondContact O-NE2 2.7Å
15G97.4Very high97.2Very high14 Ų1419.2 Ų19.214%0.14412%0.123CC..SBendtrans104.120.3176.100000115.5A13 T17 C18 L19A13-G15 PolarHBondContact O-N 3.42Å; G15-T17 PolarHBondContact O-N 3.08Å; G15-C18 PolarHBondContact O-N 3.06Å; G15-L19 WeakPolarHBondContact O-CB 3.16Å; G15-L19 PolarHBondContact O-N 2.98Å
16K98.2Very high96.9Very high10 Ų1023.5 Ų23.54%0.04315%0.148CC..Hα-helixtrans-50.9-53.2173.3-56.9-172.2-58.5-75.80112V8 V9 G10 D11 V14 C18 L19 L20 T58 C81V8-K16 HydrophobicContact CG1-CB 3.86Å; V8-K16 HydrophobicContact CG1-CD 3.97Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; G10-K16 PolarHBondContact O-NZ 2.99Å; D11-K16 PolarHBondContact O-NZ 3.18Å; V14-K16 HydrophobicContact CG2-CD 4.42Å; V14-K16 HydrophobicContact CG2-CG 3.72Å; K16-C18 PolarHBondContact O-N 2.73Å; K16-L19 VanDerWaalsContact O-CB 3.27Å; K16-L19 WeakPolarHBondContact O-CB 3.1Å; K16-L19 PolarHBondContact O-N 2.89Å; K16-L20 WeakPolarHBondContact O-CG 3.1Å; K16-L20 PolarHBondContact O-N 2.94Å; K16-L20 VanDerWaalsContact O-N 3.08Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; K16-C81 HydrophobicContact CG-CB 3.96Å
17T97.2Very high96.6Very high25 Ų2530.8 Ų30.815%0.15318%0.179CC..Hα-helixtrans-64.7-43.8-179.5-47.70000112.1G15 L19 L20 I21 T35 D57G15-T17 PolarHBondContact O-N 3.08Å; T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 3.22Å; T17-L20 PolarHBondContact O-N 3.5Å; T17-I21 HydrophobicContact CG2-CD1 3.77Å; T17-I21 HydrophobicContact CG2-CG1 4.38Å; T17-I21 WeakPolarHBondContact O-CB 3.45Å; T17-I21 WeakPolarHBondContact O-CG1 3.38Å; T17-I21 PolarHBondContact O-N 3.27Å; T17-T35 PolarHBondContact OG1-OG1 2.8Å; T17-D57 WeakPolarHBondContact CA-OD2 3.34Å; T17-D57 WeakPolarHBondContact CB-OD2 3.35Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.24Å; T17-D57 PolarHBondContact OG1-OD2 3.22Å
18C97.1Very high96.2Very high22 Ų2235.3 Ų35.315%0.14920%0.199CC..Hα-helixtrans-61.1-39.3176.1-56.40000112G15 K16 S22 F28 P29 A159G15-C18 PolarHBondContact O-N 3.06Å; K16-C18 PolarHBondContact O-N 2.73Å; C18-S22 WeakPolarHBondContact O-CB 3.37Å; C18-S22 PolarHBondContact O-N 2.88Å; C18-F28 HydrophobicContact CB-CD2 4.26Å; C18-F28 HydrophobicContact CB-CE2 3.7Å; C18-F28 HydrophobicContact CB-CZ 4.33Å; C18-P29 HydrophobicContact CB-CG 4.2Å; C18-A159 HydrophobicContact CB-CB 3.9Å
19L97.8Very high95.8Very high1 Ų136.8 Ų36.81%0.00521%0.209CC..Hα-helixtrans-58.7-51.4175.4-175.484000111G15 K16 T17 Y23 L79 C157 L165 V168 F169G15-L19 WeakPolarHBondContact O-CB 3.16Å; G15-L19 PolarHBondContact O-N 2.98Å; K16-L19 VanDerWaalsContact O-CB 3.27Å; K16-L19 WeakPolarHBondContact O-CB 3.1Å; K16-L19 PolarHBondContact O-N 2.89Å; T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 3.22Å; L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.15Å; L19-L79 HydrophobicContact CD2-CD2 3.45Å; L19-L79 VanDerWaalsContact CD2-CD2 3.45Å; L19-C157 WeakPolarHBondContact CD1-SG 3.47Å; L19-L165 HydrophobicContact CD1-CD1 3.31Å; L19-L165 HydrophobicContact CG-CD1 3.91Å; L19-V168 HydrophobicContact CD2-CG1 4.34Å; L19-F169 HydrophobicContact CD2-CE2 4.36Å; L19-F169 HydrophobicContact CD2-CZ 3.94Å; L19-F169 HydrophobicContact CG-CE2 4.08Å; L19-F169 HydrophobicContact CG-CZ 3.95Å
20L97.9Very high94.9Very high0 Ų042.6 Ų42.60%025%0.249CC..Hα-helixtrans-66.1-45.9-178.3-63.5177000111.8V8 K16 T17 Y23 T24 Y40 L55 D57 F169V8-L20 HydrophobicContact CB-CD1 4.49Å; V8-L20 HydrophobicContact CG2-CD1 4.04Å; V8-L20 HydrophobicContact CG2-CD2 3.69Å; V8-L20 HydrophobicContact CG2-CG 4.21Å; K16-L20 WeakPolarHBondContact O-CG 3.1Å; K16-L20 PolarHBondContact O-N 2.94Å; K16-L20 VanDerWaalsContact O-N 3.08Å; T17-L20 PolarHBondContact O-N 3.5Å; L20-Y23 PolarHBondContact O-N 3.29Å; L20-T24 WeakPolarHBondContact O-CB 3.38Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.19Å; L20-T24 PolarHBondContact O-N 2.98Å; L20-T24 PolarHBondContact O-OG1 3.04Å; L20-Y40 HydrophobicContact CB-CD2 4.18Å; L20-Y40 HydrophobicContact CB-CE2 4.21Å; L20-Y40 HydrophobicContact CD1-CD2 4.22Å; L20-Y40 HydrophobicContact CD1-CE2 4.24Å; L20-L55 HydrophobicContact CD2-CB 3.88Å; L20-L55 HydrophobicContact CD2-CD1 4.04Å; L20-L55 HydrophobicContact CD2-CD2 4.11Å; L20-L55 HydrophobicContact CD2-CG 4.22Å; L20-D57 HydrophobicContact CD1-CB 3.42Å; L20-D57 VanDerWaalsContact CD1-CB 3.42Å; L20-F169 HydrophobicContact CD2-CE1 3.82Å; L20-F169 HydrophobicContact CD2-CZ 3.8Å
21I95.2Very high94.2Very high38 Ų3850.1 Ų50.120%0.19528%0.284CS..Hα-helixtrans-63.2-45.7177.8-67.9174.1000110.5T17 Y23 T24 T25 P29 Y40T17-I21 HydrophobicContact CG2-CD1 3.77Å; T17-I21 HydrophobicContact CG2-CG1 4.38Å; T17-I21 WeakPolarHBondContact O-CB 3.45Å; T17-I21 WeakPolarHBondContact O-CG1 3.38Å; T17-I21 PolarHBondContact O-N 3.27Å; I21-Y23 VanDerWaalsContact C-N 3.3Å; I21-Y23 PolarHBondContact O-N 2.76Å; I21-T24 PolarHBondContact O-N 3.46Å; I21-T24 PolarHBondContact O-OG1 3.01Å; I21-T25 HydrophobicContact CG2-CG2 4.35Å; I21-T25 WeakPolarHBondContact O-CB 3.23Å; I21-T25 PolarHBondContact O-N 3.24Å; I21-T25 PolarHBondContact O-OG1 2.97Å; I21-P29 HydrophobicContact CD1-CB 4.34Å; I21-P29 HydrophobicContact CD1-CG 4.3Å; I21-Y40 HydrophobicContact CG1-CE1 4.14Å
22S96.8Very high93.1Very high1 Ų155.5 Ų55.51%0.00730%0.304CS..Hα-helixtrans-62.7-39.7179.8-170.40000111.8C18 N26 K27 A159 Q162 L165C18-S22 WeakPolarHBondContact O-CB 3.37Å; C18-S22 PolarHBondContact O-N 2.88Å; S22-N26 WeakPolarHBondContact O-CA 3.32Å; S22-N26 PolarHBondContact O-N 3.15Å; S22-K27 WeakPolarHBondContact CA-O 3.33Å; S22-K27 PolarHBondContact N-O 3.09Å; S22-A159 WeakPolarHBondContact CB-O 3.41Å; S22-A159 PolarHBondContact OG-O 3.01Å; S22-Q162 PolarHBondContact OG-NE2 2.84Å; S22-L165 WeakPolarHBondContact OG-CD2 3.21Å
23Y96.8Very high92.6Very high43 Ų4358.9 Ų58.917%0.16932%0.318CS..Hα-helixtrans-69-41.7177.6178.3-113.7000112.8L19 L20 I21 V42 L53 L55 L165 F169L19-Y23 WeakPolarHBondContact O-CB 3.49Å; L19-Y23 PolarHBondContact O-N 3.15Å; L20-Y23 PolarHBondContact O-N 3.29Å; I21-Y23 VanDerWaalsContact C-N 3.3Å; I21-Y23 PolarHBondContact O-N 2.76Å; Y23-V42 HydrophobicContact CE1-CG2 3.74Å; Y23-L53 HydrophobicContact CE1-CD2 4.08Å; Y23-L55 HydrophobicContact CD1-CD1 3.91Å; Y23-L55 HydrophobicContact CE1-CD1 4.22Å; Y23-L165 HydrophobicContact CD2-CG 4.49Å; Y23-F169 HydrophobicContact CD1-CD1 4.07Å; Y23-F169 AromaticContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CE1 4.12Å; Y23-F169 AromaticContact CD1-CE2 3.71Å; Y23-F169 HydrophobicContact CD1-CE2 3.71Å; Y23-F169 AromaticContact CD1-CG 3.82Å; Y23-F169 HydrophobicContact CD1-CG 3.82Å; Y23-F169 AromaticContact CD1-CZ 3.93Å; Y23-F169 HydrophobicContact CD1-CZ 3.93Å; Y23-F169 HydrophobicContact CD2-CB 4.48Å; Y23-F169 AromaticContact CD2-CD2 3.35Å; Y23-F169 HydrophobicContact CD2-CD2 3.35Å; Y23-F169 AromaticContact CD2-CE2 3.78Å; Y23-F169 HydrophobicContact CD2-CE2 3.78Å; Y23-F169 HydrophobicContact CD2-CG 4.07Å; Y23-F169 HydrophobicContact CE1-CB 4Å; Y23-F169 HydrophobicContact CE1-CD1 4Å; Y23-F169 AromaticContact CE1-CD2 3.9Å; Y23-F169 HydrophobicContact CE1-CD2 3.9Å; Y23-F169 HydrophobicContact CE1-CE1 4.48Å; Y23-F169 HydrophobicContact CE1-CE2 4.4Å; Y23-F169 AromaticContact CE1-CG 3.67Å; Y23-F169 HydrophobicContact CE1-CG 3.67Å; Y23-F169 HydrophobicContact CE2-CB 3.88Å; Y23-F169 AromaticContact CE2-CD2 3.64Å; Y23-F169 HydrophobicContact CE2-CD2 3.64Å; Y23-F169 HydrophobicContact CE2-CE2 4.48Å; Y23-F169 AromaticContact CE2-CG 3.94Å; Y23-F169 HydrophobicContact CE2-CG 3.94Å; Y23-F169 AromaticContact CG-CD2 3.34Å; Y23-F169 HydrophobicContact CG-CD2 3.34Å; Y23-F169 AromaticContact CG-CE2 3.34Å; Y23-F169 HydrophobicContact CG-CE2 3.34Å; Y23-F169 HydrophobicContact CG-CG 4.01Å; Y23-F169 AromaticContact CG-CZ 3.98Å; Y23-F169 HydrophobicContact CG-CZ 3.98Å; Y23-F169 AromaticContact CZ-CD2 3.91Å; Y23-F169 AromaticContact CZ-CG 3.74Å
24T94.6Very high92.1Very high35 Ų3559 Ų5922%0.21531%0.313CS..Hα-helixtrans-81-29-176.1560000113.8L20 I21 Y40 V42 L55L20-T24 WeakPolarHBondContact O-CB 3.38Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.19Å; L20-T24 PolarHBondContact O-N 2.98Å; L20-T24 PolarHBondContact O-OG1 3.04Å; I21-T24 PolarHBondContact O-N 3.46Å; I21-T24 PolarHBondContact O-OG1 3.01Å; T24-Y40 HydrophobicContact CG2-CG 4.4Å; T24-V42 HydrophobicContact CG2-CG1 3.45Å; T24-V42 VanDerWaalsContact CG2-CG1 3.45Å; T24-L55 HydrophobicContact CG2-CD1 3.7Å
25T93Very high91.7Very high69 Ų6959.7 Ų59.742%0.42332%0.318SS..Hα-helixtrans-117.4-6.7-172.171.80000114.4I21 K27I21-T25 HydrophobicContact CG2-CG2 4.35Å; I21-T25 WeakPolarHBondContact O-CB 3.23Å; I21-T25 PolarHBondContact O-N 3.24Å; I21-T25 PolarHBondContact O-OG1 2.97Å; T25-K27 PolarHBondContact O-N 2.86Å; T25-K27 PolarHBondContact OG1-N 2.93Å
26N92.2Very high91Very high120 Ų12062.7 Ų62.764%0.64233%0.333SS*.SBendtrans55.929.1-170-62.7-62.6000113.8S22S22-N26 WeakPolarHBondContact O-CA 3.32Å; S22-N26 PolarHBondContact O-N 3.15Å
27K92.4Very high90.5Very high152 Ų15266 Ų6666%0.66135%0.348SS*.  trans-135.6144.6179.4-65.1-179.7-177.9179.20111.7S22 T25S22-K27 WeakPolarHBondContact CA-O 3.33Å; S22-K27 PolarHBondContact N-O 3.09Å; T25-K27 PolarHBondContact O-N 2.86Å; T25-K27 PolarHBondContact OG1-N 2.93Å
28F90.6Very high90.3Very high95 Ų9568.4 Ų68.442%0.41736%0.36SS..  trans-88.3130.8169.2-170.3-96.7000110C18 A159 L160C18-F28 HydrophobicContact CB-CD2 4.26Å; C18-F28 HydrophobicContact CB-CE2 3.7Å; C18-F28 HydrophobicContact CB-CZ 4.33Å; F28-A159 HydrophobicContact CD2-CB 4.07Å; F28-A159 HydrophobicContact CE2-CB 4.03Å; F28-L160 HydrophobicContact CB-CD1 4.1Å; F28-L160 HydrophobicContact CD1-CD1 3.82Å; F28-L160 VanDerWaalsContact CD2-CA 3.46Å; F28-L160 HydrophobicContact CD2-CB 3.94Å; F28-L160 HydrophobicContact CD2-CD1 4.21Å; F28-L160 HydrophobicContact CE1-CD1 4.28Å; F28-L160 HydrophobicContact CE2-CB 3.99Å; F28-L160 HydrophobicContact CG-CB 4.37Å; F28-L160 HydrophobicContact CG-CD1 3.78Å
29P88.5Confident90.1Very high31 Ų3171.5 Ų71.520%0.20138%0.375CS..  trans-6713517828-33.9000110.7C18 I21C18-P29 HydrophobicContact CB-CG 4.2Å; I21-P29 HydrophobicContact CD1-CB 4.34Å; I21-P29 HydrophobicContact CD1-CG 4.3Å
30S81.1Confident89.9Confident122 Ų12274 Ų7485%0.85339%0.385SS*.SBendtrans-78.7-22.2-179.1520000113.8
31E82.9Confident89.8Confident158 Ų15877.5 Ų77.574%0.73841%0.413SS*.SBendtrans-120.6141.9-177.8-65.2-179.3-173.500110.2
32Y77.3Confident89.8Confident136 Ų13677 Ų7753%0.53341%0.412SS..  trans-96.8121.2174.9175.4-109.5000110.6A13 P34A13-Y32 PolarHBondContact N-OH 2.88Å; Y32-P34 HydrophobicContact CE1-CG 3.85Å
33V83.4Confident89.7Confident104 Ų10481.4 Ų81.463%0.6344%0.439SS*.  trans-121.7124.8170.5-179.40000107.8T35V33-T35 PolarHBondContact O-N 2.87Å
34P86.6Confident89.5Confident60 Ų6080.4 Ų80.439%0.3944%0.437SS..  trans-62119.7174.9-21.331.7000111.5Y32 Q61Y32-P34 HydrophobicContact CE1-CG 3.85Å; P34-Q61 VanDerWaalsContact CB-NE2 3.29Å
35T88.1Confident89.5Confident18 Ų1884.6 Ų84.611%0.1146%0.456CS..  trans-73.7136.4-178.6-51.50000111.6T17 V33 D38 D57 A59T17-T35 PolarHBondContact OG1-OG1 2.8Å; V33-T35 PolarHBondContact O-N 2.87Å; T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D57 HydrophobicContact CG2-CB 4.25Å; T35-A59 WeakPolarHBondContact O-CA 3.4Å; T35-A59 VanDerWaalsContact O-CB 3.26Å; T35-A59 WeakPolarHBondContact O-CB 3.33Å
36V84.4Confident89.2Confident76 Ų7683.4 Ų83.446%0.46145%0.447SS..SBendtrans-87.3-58.3165.9176.50000108.9A59 Y64V36-A59 WeakPolarHBondContact O-CB 3.49Å; V36-A59 PolarHBondContact O-N 2.81Å; V36-A59 VanDerWaalsContact O-N 3.14Å; V36-Y64 HydrophobicContact CB-CE1 4.17Å; V36-Y64 HydrophobicContact CG1-CD1 3.89Å; V36-Y64 HydrophobicContact CG1-CE1 3.51Å; V36-Y64 HydrophobicContact CG2-CE1 3.84Å; V36-Y64 WeakPolarHBondContact CG2-OH 3.06Å
37F87.2Confident89Confident80 Ų8081.9 Ų81.935%0.35146%0.459SS..EExtended strand (participates in β ladder)trans-166.6136.5175.6174.1-104.8000109.4N39 F56 D57 S71F37-N39 WeakPolarHBondContact CE1-ND2 3.49Å; F37-N39 WeakPolarHBondContact CE2-OD1 3.38Å; F37-N39 VanDerWaalsContact CZ-CG 3.41Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.41Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; F37-F56 HydrophobicContact CE2-CB 4.44Å; F37-F56 AromaticContact CE2-CD1 3.91Å; F37-F56 HydrophobicContact CE2-CD1 3.91Å; F37-F56 AromaticContact CZ-CD1 3.82Å; F37-F56 HydrophobicContact CZ-CD1 3.82Å; F37-F56 HydrophobicContact CZ-CE1 4.3Å; F37-D57 WeakPolarHBondContact CA-O 3.4Å; F37-D57 VanDerWaalsContact CD2-O 3.23Å; F37-D57 WeakPolarHBondContact CD2-O 3.35Å; F37-S71 WeakPolarHBondContact CD2-OG 3.05Å; F37-S71 WeakPolarHBondContact CE2-OG 3.4Å
38D92.3Very high88.8Confident75 Ų7577.3 Ų77.340%0.40146%0.455SS..EExtended strand (participates in β ladder)trans-144.6150.7172.8-81.5-51000110.5T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.38Å; D38-Y40 HydrophobicContact CB-CE2 3.79Å; D38-D57 HydrophobicContact CB-CB 4.19Å; D38-D57 PolarHBondContact N-O 3.35Å; D38-D57 WeakPolarHBondContact O-CB 3.43Å; D38-D57 PolarHBondContact O-N 2.83Å
39N93.2Very high88.9Confident87 Ų8778.7 Ų78.747%0.46546%0.463SS..EExtended strand (participates in β ladder)trans-121.9132.3176-65.7-41.9000111F37 L55 F56F37-N39 WeakPolarHBondContact CE1-ND2 3.49Å; F37-N39 WeakPolarHBondContact CE2-OD1 3.38Å; F37-N39 VanDerWaalsContact CZ-CG 3.41Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.41Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; N39-L55 WeakPolarHBondContact CA-O 3.4Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.1Å; N39-F56 WeakPolarHBondContact OD1-CE1 3.48Å; N39-F56 WeakPolarHBondContact OD1-CG 3.31Å
40Y94.7Very high89.1Confident55 Ų5579.6 Ų79.622%0.21647%0.469CS..EExtended strand (participates in β ladder)trans-119.3153.5172.2-49.4-99.5000109.1L20 I21 T24 D38 L55 D57L20-Y40 HydrophobicContact CB-CD2 4.18Å; L20-Y40 HydrophobicContact CB-CE2 4.21Å; L20-Y40 HydrophobicContact CD1-CD2 4.22Å; L20-Y40 HydrophobicContact CD1-CE2 4.24Å; I21-Y40 HydrophobicContact CG1-CE1 4.14Å; T24-Y40 HydrophobicContact CG2-CG 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.79Å; Y40-L55 PolarHBondContact N-O 2.85Å; Y40-L55 PolarHBondContact O-N 3.22Å; Y40-D57 HydrophobicContact CE2-CB 4.3Å
41A95.2Very high89.8Confident73 Ų7375.6 Ų75.660%0.60344%0.435SS*.EExtended strand (participates in β ladder)trans-135.9133.1173.500000109.1T52 L53A41-T52 HydrophobicContact CB-CG2 4.15Å; A41-L53 WeakPolarHBondContact CA-O 3.32Å
42V95.1Very high90.5Very high27 Ų2769.1 Ų69.116%0.16441%0.406CS..EExtended strand (participates in β ladder)trans-130.5146172.8-63.40000110.2Y23 T24 V44 L53 L55Y23-V42 HydrophobicContact CE1-CG2 3.74Å; T24-V42 HydrophobicContact CG2-CG1 3.45Å; T24-V42 VanDerWaalsContact CG2-CG1 3.45Å; V42-V44 HydrophobicContact CG2-CG1 4.14Å; V42-L53 HydrophobicContact CG2-CB 3.95Å; V42-L53 HydrophobicContact CG2-CD2 4.32Å; V42-L53 PolarHBondContact N-O 2.84Å; V42-L53 VanDerWaalsContact N-O 3.09Å; V42-L53 PolarHBondContact O-N 2.82Å; V42-L55 HydrophobicContact CG2-CD1 4.48Å
43T94.6Very high91.4Very high94 Ų9462.7 Ų62.758%0.57738%0.381SS*.EExtended strand (participates in β ladder)trans-89.9124.1172.3-56.30000109.1M1 P50 Y51M1-T43 HydrophobicContact SD-CG2 4.35Å; T43-P50 HydrophobicContact CG2-CB 3.98Å; T43-Y51 CarbonylContact C-O 3.48Å; T43-Y51 WeakPolarHBondContact CA-O 3.23Å
44V93.3Very high92.1Very high21 Ų2158 Ų5813%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-118.4144.3177.2-62.80000109.9V42 I46 Y51 L53 I173V42-V44 HydrophobicContact CG2-CG1 4.14Å; V44-I46 HydrophobicContact CG2-CD1 4.1Å; V44-I46 HydrophobicContact CG2-CG1 4.19Å; V44-Y51 PolarHBondContact N-O 2.88Å; V44-Y51 PolarHBondContact O-N 3.26Å; V44-L53 HydrophobicContact CG2-CB 4.46Å; V44-I173 HydrophobicContact CB-CD1 4.39Å; V44-I173 HydrophobicContact CG1-CD1 4.33Å; V44-I173 HydrophobicContact CG2-CD1 3.89Å
45M92.5Very high92.7Very high124 Ų12455.2 Ų55.261%0.61134%0.336SS*.EExtended strand (participates in β ladder)trans-97.4119.5178.4-60.1-56.7-63.400109.7G48 E49 P50M45-G48 WeakPolarHBondContact CE-O 3.49Å; M45-E49 WeakPolarHBondContact CA-O 3.43Å; M45-P50 HydrophobicContact CE-CB 4.4Å; M45-P50 HydrophobicContact SD-CB 3.87Å
46I88.2Confident93.2Very high44 Ų4456.4 Ų56.423%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-124.9116-179.2-52.1172.7000107.9I4 V44 G48 E49 Y51 I173 L177I4-I46 HydrophobicContact CD1-CD1 4.17Å; V44-I46 HydrophobicContact CG2-CD1 4.1Å; V44-I46 HydrophobicContact CG2-CG1 4.19Å; I46-G48 PolarHBondContact O-N 2.98Å; I46-G48 VanDerWaalsContact O-N 3.16Å; I46-E49 PolarHBondContact N-O 3.14Å; I46-E49 PolarHBondContact O-N 3.16Å; I46-Y51 HydrophobicContact CB-CD2 3.81Å; I46-Y51 HydrophobicContact CB-CE2 3.87Å; I46-Y51 HydrophobicContact CD1-CD1 4.2Å; I46-Y51 HydrophobicContact CD1-CD2 3.7Å; I46-Y51 HydrophobicContact CD1-CE2 4.22Å; I46-Y51 HydrophobicContact CD1-CG 3.71Å; I46-Y51 HydrophobicContact CG1-CD2 3.93Å; I46-Y51 HydrophobicContact CG1-CE2 4.44Å; I46-Y51 HydrophobicContact CG1-CG 4.38Å; I46-I173 HydrophobicContact CD1-CG2 3.24Å; I46-I173 HydrophobicContact CG1-CG2 4.16Å; I46-L177 HydrophobicContact CD1-CD1 3.7Å; I46-L177 HydrophobicContact CG2-CD1 3.99Å
47G86.9Confident93.8Very high88 Ų8852.8 Ų52.891%0.90732%0.318SS*.THydrogen-bonded Turntrans59.924.3-176.400000114.1E49G47-E49 VanDerWaalsContact C-N 3.32Å
48G89.9Confident94.3Very high55 Ų5549.1 Ų49.157%0.56730%0.302SS*.THydrogen-bonded Turntrans86.6-7-174.900000114.9M45 I46M45-G48 WeakPolarHBondContact CE-O 3.49Å; I46-G48 PolarHBondContact O-N 2.98Å; I46-G48 VanDerWaalsContact O-N 3.16Å
49E91.2Very high94.5Very high125 Ų12545.6 Ų45.658%0.58428%0.283SS*.EExtended strand (participates in β ladder)trans-98139.6178.2-68.5-61.2140.600111.5M45 I46 G47 Y51M45-E49 WeakPolarHBondContact CA-O 3.43Å; I46-E49 PolarHBondContact N-O 3.14Å; I46-E49 PolarHBondContact O-N 3.16Å; G47-E49 VanDerWaalsContact C-N 3.32Å; E49-Y51 HydrophobicContact CB-CE2 3.95Å; E49-Y51 WeakPolarHBondContact O-CD2 3.14Å
50P93.9Very high94.5Very high50 Ų5042 Ų4233%0.32527%0.267SS..EExtended strand (participates in β ladder)trans-79.5130.9177.231.1-33.1000111.8M1 T43 M45M1-P50 WeakPolarHBondContact CG-O 3.38Å; M1-P50 HydrophobicContact SD-CB 4.22Å; T43-P50 HydrophobicContact CG2-CB 3.98Å; M45-P50 HydrophobicContact CE-CB 4.4Å; M45-P50 HydrophobicContact SD-CB 3.87Å
51Y94.7Very high94.4Very high37 Ų3742.8 Ų42.815%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-119.6143.8172.2-74.1-109.4000109.8Q2 I4 T43 V44 I46 E49 L177Q2-Y51 HydrophobicContact CB-CD1 3.68Å; Q2-Y51 HydrophobicContact CB-CE1 3.62Å; Q2-Y51 HydrophobicContact CG-CE1 4.26Å; I4-Y51 HydrophobicContact CD1-CD1 4Å; I4-Y51 HydrophobicContact CG1-CD1 4.2Å; T43-Y51 CarbonylContact C-O 3.48Å; T43-Y51 WeakPolarHBondContact CA-O 3.23Å; V44-Y51 PolarHBondContact N-O 2.88Å; V44-Y51 PolarHBondContact O-N 3.26Å; I46-Y51 HydrophobicContact CB-CD2 3.81Å; I46-Y51 HydrophobicContact CB-CE2 3.87Å; I46-Y51 HydrophobicContact CD1-CD1 4.2Å; I46-Y51 HydrophobicContact CD1-CD2 3.7Å; I46-Y51 HydrophobicContact CD1-CE2 4.22Å; I46-Y51 HydrophobicContact CD1-CG 3.71Å; I46-Y51 HydrophobicContact CG1-CD2 3.93Å; I46-Y51 HydrophobicContact CG1-CE2 4.44Å; I46-Y51 HydrophobicContact CG1-CG 4.38Å; E49-Y51 HydrophobicContact CB-CE2 3.95Å; E49-Y51 WeakPolarHBondContact O-CD2 3.14Å; Y51-L177 HydrophobicContact CE1-CD2 3.93Å
52T97.1Very high94.3Very high23 Ų2346.3 Ų46.314%0.14128%0.276CS..EExtended strand (participates in β ladder)trans-89.2119.1165.8-62.20000109.2M1 Q2 T3 I4 A41M1-T52 WeakPolarHBondContact CE-OG1 3.44Å; M1-T52 PolarHBondContact SD-OG1 2.88Å; M1-T52 VanDerWaalsContact SD-OG1 3.35Å; Q2-T52 PolarHBondContact O-N 2.8Å; T3-T52 CarbonylContact C-O 3.51Å; T3-T52 VanDerWaalsContact CA-O 3.27Å; T3-T52 WeakPolarHBondContact CA-O 3.5Å; T3-T52 HydrophobicContact CG2-CG2 4.31Å; I4-T52 PolarHBondContact N-O 2.92Å; A41-T52 HydrophobicContact CB-CG2 4.15Å
53L97.4Very high94.2Very high0 Ų051.5 Ų51.50%030%0.303CS..EExtended strand (participates in β ladder)trans-91.8105.4166.8-177.863.6000108.4I4 C6 Y23 A41 V42 V44 L55 F169 I173I4-L53 HydrophobicContact CB-CD1 4.02Å; I4-L53 HydrophobicContact CG2-CD1 3.85Å; I4-L53 WeakPolarHBondContact O-CA 3.34Å; C6-L53 HydrophobicContact CB-CD1 4.03Å; Y23-L53 HydrophobicContact CE1-CD2 4.08Å; A41-L53 WeakPolarHBondContact CA-O 3.32Å; V42-L53 HydrophobicContact CG2-CB 3.95Å; V42-L53 HydrophobicContact CG2-CD2 4.32Å; V42-L53 PolarHBondContact N-O 2.84Å; V42-L53 VanDerWaalsContact N-O 3.09Å; V42-L53 PolarHBondContact O-N 2.82Å; V44-L53 HydrophobicContact CG2-CB 4.46Å; L53-L55 HydrophobicContact CD1-CD2 4.26Å; L53-L55 HydrophobicContact CD2-CD2 3.73Å; L53-L55 HydrophobicContact CD2-CG 4.37Å; L53-L55 HydrophobicContact CG-CD2 3.66Å; L53-L55 HydrophobicContact CG-CG 4.11Å; L53-F169 HydrophobicContact CD2-CB 4.37Å; L53-F169 HydrophobicContact CD2-CD1 4.08Å; L53-I173 HydrophobicContact CD1-CG1 4.23Å; L53-I173 HydrophobicContact CD2-CD1 4.14Å; L53-I173 HydrophobicContact CD2-CG1 4.24Å
54G98.2Very high94.2Very high7 Ų750.1 Ų50.17%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-82.4120.8170.300000109.9I4 C6I4-G54 PolarHBondContact O-N 2.87Å; C6-G54 PolarHBondContact N-O 3.1Å
55L98.4Very high94.3Very high0 Ų051.8 Ų51.80%030%0.296CS..EExtended strand (participates in β ladder)trans-111.1114.8-176.2-60.4171.1000108.8C6 L20 Y23 T24 N39 Y40 V42 L53 F169C6-L55 HydrophobicContact CB-CD2 4.01Å; L20-L55 HydrophobicContact CD2-CB 3.88Å; L20-L55 HydrophobicContact CD2-CD1 4.04Å; L20-L55 HydrophobicContact CD2-CD2 4.11Å; L20-L55 HydrophobicContact CD2-CG 4.22Å; Y23-L55 HydrophobicContact CD1-CD1 3.91Å; Y23-L55 HydrophobicContact CE1-CD1 4.22Å; T24-L55 HydrophobicContact CG2-CD1 3.7Å; N39-L55 WeakPolarHBondContact CA-O 3.4Å; Y40-L55 PolarHBondContact N-O 2.85Å; Y40-L55 PolarHBondContact O-N 3.22Å; V42-L55 HydrophobicContact CG2-CD1 4.48Å; L53-L55 HydrophobicContact CD1-CD2 4.26Å; L53-L55 HydrophobicContact CD2-CD2 3.73Å; L53-L55 HydrophobicContact CD2-CG 4.37Å; L53-L55 HydrophobicContact CG-CD2 3.66Å; L53-L55 HydrophobicContact CG-CG 4.11Å; L55-F169 HydrophobicContact CD1-CE1 4.27Å; L55-F169 HydrophobicContact CD2-CD1 3.87Å; L55-F169 HydrophobicContact CD2-CE1 3.6Å
56F98.5Very high94.4Very high44 Ų4456.9 Ų56.919%0.19331%0.309CS..EExtended strand (participates in β ladder)trans-107105.7-175.3-71.1-113.8000108.6K5 C6 V7 V8 F37 N39K5-F56 HydrophobicContact CB-CE2 4.44Å; K5-F56 HydrophobicContact CD-CD2 4.25Å; K5-F56 HydrophobicContact CD-CE1 4.45Å; K5-F56 HydrophobicContact CD-CE2 3.85Å; K5-F56 HydrophobicContact CD-CZ 3.96Å; K5-F56 HydrophobicContact CG-CD2 3.77Å; K5-F56 HydrophobicContact CG-CE2 3.61Å; K5-F56 HydrophobicContact CG-CZ 4.25Å; C6-F56 PolarHBondContact O-N 3.3Å; V7-F56 HydrophobicContact CB-CB 4.33Å; V7-F56 HydrophobicContact CG1-CB 4.39Å; V7-F56 HydrophobicContact CG2-CB 3.86Å; V7-F56 HydrophobicContact CG2-CG 4.25Å; V8-F56 PolarHBondContact N-O 2.99Å; F37-F56 HydrophobicContact CE2-CB 4.44Å; F37-F56 AromaticContact CE2-CD1 3.91Å; F37-F56 HydrophobicContact CE2-CD1 3.91Å; F37-F56 AromaticContact CZ-CD1 3.82Å; F37-F56 HydrophobicContact CZ-CD1 3.82Å; F37-F56 HydrophobicContact CZ-CE1 4.3Å; N39-F56 WeakPolarHBondContact OD1-CD1 3.1Å; N39-F56 WeakPolarHBondContact OD1-CE1 3.48Å; N39-F56 WeakPolarHBondContact OD1-CG 3.31Å
57D97.7Very high94.7Very high0 Ų059.5 Ų59.50%032%0.322CS..EExtended strand (participates in β ladder)trans-82.7138176.2-160.11.6000110.5T17 L20 T35 F37 D38 Y40T17-D57 WeakPolarHBondContact CA-OD2 3.34Å; T17-D57 WeakPolarHBondContact CB-OD2 3.35Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.24Å; T17-D57 PolarHBondContact OG1-OD2 3.22Å; L20-D57 HydrophobicContact CD1-CB 3.42Å; L20-D57 VanDerWaalsContact CD1-CB 3.42Å; T35-D57 HydrophobicContact CG2-CB 4.25Å; F37-D57 WeakPolarHBondContact CA-O 3.4Å; F37-D57 VanDerWaalsContact CD2-O 3.23Å; F37-D57 WeakPolarHBondContact CD2-O 3.35Å; D38-D57 HydrophobicContact CB-CB 4.19Å; D38-D57 PolarHBondContact N-O 3.35Å; D38-D57 WeakPolarHBondContact O-CB 3.43Å; D38-D57 PolarHBondContact O-N 2.83Å; Y40-D57 HydrophobicContact CE2-CB 4.3Å
58T97.8Very high95.2Very high2 Ų255.6 Ų55.61%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-129.6151.2-175.370.90000113.3V7 V8 K16 G60 R68V7-T58 HydrophobicContact CG1-CG2 3.84Å; V8-T58 PolarHBondContact O-OG1 3.01Å; K16-T58 WeakPolarHBondContact CE-O 3.35Å; T58-G60 PolarHBondContact O-N 3.26Å; T58-R68 HydrophobicContact CG2-CG 4.12Å
59A96.1Very high95.6Very high2 Ų254 Ų542%0.01726%0.26CS..  trans-61.3130.8173.600000112.2T35 V36 Y64 R68T35-A59 WeakPolarHBondContact O-CA 3.4Å; T35-A59 VanDerWaalsContact O-CB 3.26Å; T35-A59 WeakPolarHBondContact O-CB 3.33Å; V36-A59 WeakPolarHBondContact O-CB 3.49Å; V36-A59 PolarHBondContact O-N 2.81Å; V36-A59 VanDerWaalsContact O-N 3.14Å; A59-Y64 HydrophobicContact CB-CD1 4.28Å; A59-Y64 HydrophobicContact CB-CD2 3.6Å; A59-Y64 HydrophobicContact CB-CE2 4.4Å; A59-Y64 HydrophobicContact CB-CG 3.52Å; A59-R68 PolarHBondContact O-NE 3.47Å; A59-R68 PolarHBondContact O-NH2 2.97Å
60G93.8Very high95.8Very high11 Ų1154.2 Ų54.211%0.11327%0.265CS..  trans-88.9-2.3173.400000114.8G10 G12 T58G10-G60 WeakPolarHBondContact O-CA 3.28Å; G12-G60 PolarHBondContact N-O 2.93Å; T58-G60 PolarHBondContact O-N 3.26Å
61Q92.4Very high96Very high72 Ų7252.5 Ų52.534%0.33625%0.254SS..SBendtrans-88147.7-178.5-57.4173.349.800110.8P34 D63 Y64 R68P34-Q61 VanDerWaalsContact CB-NE2 3.29Å; Q61-D63 VanDerWaalsContact C-N 3.27Å; Q61-D63 PolarHBondContact O-N 3.1Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.42Å; Q61-Y64 PolarHBondContact O-N 2.57Å; Q61-R68 PolarHBondContact O-NH2 3.21Å
62E91.8Very high96.1Very high146 Ų14650.9 Ų50.968%0.68225%0.247SC*.G310 helixtrans-64.7-29.5-179.3-67.2178.8174.100113.1Y64 D65E62-Y64 PolarHBondContact O-N 3.02Å; E62-D65 VanDerWaalsContact O-CB 3.28Å; E62-D65 WeakPolarHBondContact O-CB 3.45Å; E62-D65 PolarHBondContact O-N 2.92Å
63D93.9Very high96.1Very high137 Ų13753.3 Ų53.373%0.73326%0.264SS*.G310 helixtrans-55.7-23.2176.8-63.3-33.1000113Q61Q61-D63 VanDerWaalsContact C-N 3.27Å; Q61-D63 PolarHBondContact O-N 3.1Å
64Y94.6Very high96.1Very high64 Ų6461.9 Ų61.925%0.25130%0.303SS..G310 helixtrans-103.19.4-179.7-60.3-87.1000113.6V36 A59 Q61 E62 R66 L67 R68V36-Y64 HydrophobicContact CB-CE1 4.17Å; V36-Y64 HydrophobicContact CG1-CD1 3.89Å; V36-Y64 HydrophobicContact CG1-CE1 3.51Å; V36-Y64 HydrophobicContact CG2-CE1 3.84Å; V36-Y64 WeakPolarHBondContact CG2-OH 3.06Å; A59-Y64 HydrophobicContact CB-CD1 4.28Å; A59-Y64 HydrophobicContact CB-CD2 3.6Å; A59-Y64 HydrophobicContact CB-CE2 4.4Å; A59-Y64 HydrophobicContact CB-CG 3.52Å; Q61-Y64 HydrophobicContact CB-CD2 4.04Å; Q61-Y64 HydrophobicContact CB-CE2 4.42Å; Q61-Y64 PolarHBondContact O-N 2.57Å; E62-Y64 PolarHBondContact O-N 3.02Å; Y64-R66 PolarHBondContact O-N 2.87Å; Y64-R66 VanDerWaalsContact O-N 3.1Å; Y64-L67 HydrophobicContact CD1-CD1 3.92Å; Y64-L67 HydrophobicContact CE1-CD1 4.47Å; Y64-L67 PolarHBondContact O-N 2.97Å; Y64-R68 WeakPolarHBondContact O-CB 3.42Å; Y64-R68 PolarHBondContact O-N 2.96Å
65D95.4Very high96.1Very high57 Ų5761.9 Ų61.931%0.30530%0.302SS..THydrogen-bonded Turntrans-58-27.7-178.1-78.1-6.7000113E62 R68 P69 K96E62-D65 VanDerWaalsContact O-CB 3.28Å; E62-D65 WeakPolarHBondContact O-CB 3.45Å; E62-D65 PolarHBondContact O-N 2.92Å; D65-R68 IonicContact OD1-CZ 2.89Å; D65-R68 VanDerWaalsContact OD1-CZ 3.25Å; D65-R68 IonicContact OD1-NH1 3.94Å; D65-R68 PolarHBondContact OD1-NH1 3.44Å; D65-R68 IonicContact OD1-NH2 2.87Å; D65-R68 PolarHBondContact OD1-NH2 3.37Å; D65-P69 WeakPolarHBondContact O-CD 3.28Å; D65-P69 WeakPolarHBondContact O-CG 3.42Å; D65-K96 WeakPolarHBondContact OD1-CE 3.4Å; D65-K96 IonicContact OD1-NZ 2.7Å; D65-K96 PolarHBondContact OD1-NZ 2.89Å; D65-K96 IonicContact OD2-NZ 3.26Å; D65-K96 PolarHBondContact OD2-NZ 3.33Å; D65-K96 VanDerWaalsContact OD2-NZ 3.13Å
66R94.5Very high96.1Very high231 Ų23165.1 Ų65.187%0.87232%0.319SS*.THydrogen-bonded Turntrans-83.7-24.5175.2-64.7-175-179.1179.71.1114.1Y64Y64-R66 PolarHBondContact O-N 2.87Å; Y64-R66 VanDerWaalsContact O-N 3.1Å
67L95Very high96.1Very high98 Ų9863 Ų6351%0.51331%0.31SS..THydrogen-bonded Turntrans-91.2-38.2-176.8-69.6175.5000111.6Y64 L70Y64-L67 HydrophobicContact CD1-CD1 3.92Å; Y64-L67 HydrophobicContact CE1-CD1 4.47Å; Y64-L67 PolarHBondContact O-N 2.97Å; L67-L70 HydrophobicContact CD2-CD1 4.09Å; L67-L70 VanDerWaalsContact O-CB 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.36Å; L67-L70 WeakPolarHBondContact O-CG 3.5Å; L67-L70 PolarHBondContact O-N 3.33Å
68R96.9Very high96.1Very high7 Ų763 Ų633%0.02631%0.31CS..G310 helixtrans-52.1-45.6-178.1-175.7-174.4-37.8105.25.9113.2T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100T58-R68 HydrophobicContact CG2-CG 4.12Å; A59-R68 PolarHBondContact O-NE 3.47Å; A59-R68 PolarHBondContact O-NH2 2.97Å; Q61-R68 PolarHBondContact O-NH2 3.21Å; Y64-R68 WeakPolarHBondContact O-CB 3.42Å; Y64-R68 PolarHBondContact O-N 2.96Å; D65-R68 IonicContact OD1-CZ 2.89Å; D65-R68 VanDerWaalsContact OD1-CZ 3.25Å; D65-R68 IonicContact OD1-NH1 3.94Å; D65-R68 PolarHBondContact OD1-NH1 3.44Å; D65-R68 IonicContact OD1-NH2 2.87Å; D65-R68 PolarHBondContact OD1-NH2 3.37Å; R68-L70 PolarHBondContact O-N 3.39Å; R68-L70 VanDerWaalsContact O-N 3.08Å; R68-S71 WeakPolarHBondContact O-CB 3.26Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-S71 PolarHBondContact O-OG 3.37Å; R68-Y72 WeakPolarHBondContact CD-OH 3.39Å; R68-Y72 HydrophobicContact CG-CE1 3.96Å; R68-Y72 VanDerWaalsContact CG-OH 3.31Å; R68-Y72 WeakPolarHBondContact CG-OH 3.29Å; R68-W97 VanDerWaalsContact CZ-CZ3 3.48Å; R68-E100 WeakPolarHBondContact CD-OE1 3.43Å; R68-E100 IonicContact CZ-OE1 2.91Å; R68-E100 VanDerWaalsContact NH1-CD 3.34Å; R68-E100 IonicContact NH1-OE1 2.62Å; R68-E100 PolarHBondContact NH1-OE1 3.38Å; R68-E100 IonicContact NH1-OE2 3.02Å; R68-E100 PolarHBondContact NH1-OE2 3.07Å
69P97.9Very high96.2Very high22 Ų2263 Ų6314%0.14331%0.31CS..G310 helixtrans-64.7-15.7-178.7-24.637000115D65 S71 Y72 P73 H104D65-P69 WeakPolarHBondContact O-CD 3.28Å; D65-P69 WeakPolarHBondContact O-CG 3.42Å; P69-S71 PolarHBondContact O-N 2.71Å; P69-Y72 HydrophobicContact CB-CD2 3.88Å; P69-Y72 HydrophobicContact CB-CE2 4.05Å; P69-Y72 HydrophobicContact CG-CE2 4.17Å; P69-Y72 WeakPolarHBondContact O-CB 3.42Å; P69-Y72 PolarHBondContact O-N 3.31Å; P69-P73 WeakPolarHBondContact O-CD 3.38Å; P69-H104 WeakPolarHBondContact CB-NE2 3.46Å
70L96.3Very high96.3Very high129 Ų12962.9 Ų62.968%0.67531%0.309SS*.G310 helixtrans-63.5-19.1172.7-57.4178.2000112.1L67 R68 P73L67-L70 HydrophobicContact CD2-CD1 4.09Å; L67-L70 VanDerWaalsContact O-CB 3.24Å; L67-L70 WeakPolarHBondContact O-CB 3.36Å; L67-L70 WeakPolarHBondContact O-CG 3.5Å; L67-L70 PolarHBondContact O-N 3.33Å; R68-L70 PolarHBondContact O-N 3.39Å; R68-L70 VanDerWaalsContact O-N 3.08Å; L70-P73 WeakPolarHBondContact O-CD 3.2Å
71S96.7Very high96.6Very high14 Ų1462.3 Ų62.310%0.09830%0.304CS..G310 helixtrans-83.7-12.8175.6-53.60000113.4K5 F37 R68 P69K5-S71 WeakPolarHBondContact CE-O 3.21Å; K5-S71 PolarHBondContact NZ-O 2.89Å; F37-S71 WeakPolarHBondContact CD2-OG 3.05Å; F37-S71 WeakPolarHBondContact CE2-OG 3.4Å; R68-S71 WeakPolarHBondContact O-CB 3.26Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-S71 PolarHBondContact O-OG 3.37Å; P69-S71 PolarHBondContact O-N 2.71Å
72Y98.4Very high96.9Very high2 Ų258.9 Ų58.91%0.00829%0.288CS..  trans-82.9-23.7-170.5-61.6-7.2000117V7 V9 R68 P69 Q74 T75 F78 E100 I101 H104 C105V7-Y72 HydrophobicContact CG1-CD1 3.97Å; V7-Y72 HydrophobicContact CG1-CE1 3.9Å; V9-Y72 HydrophobicContact CG1-CE1 3.86Å; V9-Y72 WeakPolarHBondContact CG1-OH 3.21Å; R68-Y72 WeakPolarHBondContact CD-OH 3.39Å; R68-Y72 HydrophobicContact CG-CE1 3.96Å; R68-Y72 VanDerWaalsContact CG-OH 3.31Å; R68-Y72 WeakPolarHBondContact CG-OH 3.29Å; P69-Y72 HydrophobicContact CB-CD2 3.88Å; P69-Y72 HydrophobicContact CB-CE2 4.05Å; P69-Y72 HydrophobicContact CG-CE2 4.17Å; P69-Y72 WeakPolarHBondContact O-CB 3.42Å; P69-Y72 PolarHBondContact O-N 3.31Å; Y72-Q74 PolarHBondContact O-N 2.81Å; Y72-T75 WeakPolarHBondContact O-CB 3.4Å; Y72-T75 PolarHBondContact O-N 2.56Å; Y72-T75 PolarHBondContact O-OG1 2.74Å; Y72-F78 AromaticContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CZ 4.01Å; Y72-F78 HydrophobicContact CD2-CZ 4.41Å; Y72-F78 AromaticContact CE1-CE1 3.81Å; Y72-F78 HydrophobicContact CE1-CE1 3.81Å; Y72-F78 AromaticContact CG-CE1 4Å; Y72-F78 HydrophobicContact CG-CE1 4Å; Y72-F78 AromaticContact CG-CZ 3.92Å; Y72-F78 HydrophobicContact CG-CZ 3.92Å; Y72-E100 HydrophobicContact CE2-CG 4.24Å; Y72-E100 PolarHBondContact OH-OE1 3.26Å; Y72-I101 HydrophobicContact CE2-CG2 4.36Å; Y72-H104 HydrophobicContact CD2-CB 3.73Å; Y72-H104 AromaticContact CD2-CD2 3.79Å; Y72-H104 AromaticContact CD2-CG 3.84Å; Y72-H104 AromaticContact CE2-CD2 3.89Å; Y72-C105 PolarHBondContact O-SG 2.95Å
73P97.2Very high97.2Very high75 Ų7552 Ų5249%0.48726%0.256SS..THydrogen-bonded Turntrans-55.1135.5177.7-28.636.4000111.8K5 P69 L70 T75K5-P73 PolarHBondContact NZ-O 3.26Å; P69-P73 WeakPolarHBondContact O-CD 3.38Å; L70-P73 WeakPolarHBondContact O-CD 3.2Å; P73-T75 PolarHBondContact O-N 3.29Å
74Q96Very high97.4Very high179 Ų17945.5 Ų45.584%0.83622%0.221SC*.THydrogen-bonded Turntrans61.224.5177.8-50.3174.8-59.200114.6Y72Y72-Q74 PolarHBondContact O-N 2.81Å
75T98.4Very high97.6Very high8 Ų843.3 Ų43.35%0.04921%0.214CC..  trans-68.7129.4170.8-61.10000110.9V7 Y72 P73 V77 F78 T108V7-T75 HydrophobicContact CB-CG2 4.01Å; V7-T75 HydrophobicContact CG2-CG2 3.74Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.22Å; Y72-T75 WeakPolarHBondContact O-CB 3.4Å; Y72-T75 PolarHBondContact O-N 2.56Å; Y72-T75 PolarHBondContact O-OG1 2.74Å; P73-T75 PolarHBondContact O-N 3.29Å; T75-V77 WeakPolarHBondContact CG2-O 3.45Å; T75-F78 HydrophobicContact CG2-CD1 4.2Å; T75-F78 HydrophobicContact CG2-CD2 3.81Å; T75-F78 HydrophobicContact CG2-CE1 4.05Å; T75-F78 HydrophobicContact CG2-CE2 3.63Å; T75-F78 HydrophobicContact CG2-CG 4.09Å; T75-F78 HydrophobicContact CG2-CZ 3.77Å; T75-T108 HydrophobicContact CG2-CG2 4.02Å; T75-T108 WeakPolarHBondContact O-CG2 3.3Å; T75-T108 PolarHBondContact O-OG1 3.32Å
76D98.1Very high97.7Very high67 Ų6742.5 Ų42.536%0.35821%0.213SC..SBendtrans-87.4-33.6177.5-59.5-57.6000111.7I4 K5 P109 A176I4-D76 WeakPolarHBondContact CA-OD2 3.48Å; I4-D76 HydrophobicContact CG2-CB 4.21Å; K5-D76 PolarHBondContact N-OD2 2.74Å; K5-D76 PolarHBondContact O-N 2.9Å; D76-P109 WeakPolarHBondContact O-CD 3.41Å; D76-P109 WeakPolarHBondContact O-CG 2.91Å; D76-A176 HydrophobicContact CB-CB 3.98Å
77V98.7Very high97.9Very high0 Ų032.4 Ų32.40%018%0.177CC..EExtended strand (participates in β ladder)trans-149.6142.3175.663.20000111.3K5 C6 V7 T75 P109 A172 A175 A176K5-V77 PolarHBondContact O-N 3.26Å; C6-V77 VanDerWaalsContact CA-O 3.32Å; C6-V77 WeakPolarHBondContact CA-O 2.85Å; C6-V77 HydrophobicContact CB-CG1 3.82Å; V7-V77 PolarHBondContact N-O 3.41Å; V7-V77 VanDerWaalsContact N-O 3.1Å; T75-V77 WeakPolarHBondContact CG2-O 3.45Å; V77-P109 WeakPolarHBondContact CA-O 3.37Å; V77-A172 HydrophobicContact CG1-CB 4.2Å; V77-A172 HydrophobicContact CG2-CB 4.45Å; V77-A175 HydrophobicContact CG2-CB 4.05Å; V77-A176 HydrophobicContact CB-CB 4.06Å; V77-A176 HydrophobicContact CG1-CB 4.07Å
78F98.9Very high98Very high1 Ų130.9 Ų30.90%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-99.8142.3168.1-73.6-86.3000111.6V7 V9 Y72 T75 I101 C105 T108 P109 F110 L111V7-F78 HydrophobicContact CB-CD1 3.78Å; V7-F78 HydrophobicContact CB-CE1 3.74Å; V7-F78 HydrophobicContact CG1-CD1 4.1Å; V7-F78 HydrophobicContact CG1-CE1 3.89Å; V7-F78 HydrophobicContact CG2-CE1 4.4Å; V7-F78 WeakPolarHBondContact O-CA 3.43Å; V9-F78 HydrophobicContact CG1-CD1 4.28Å; Y72-F78 AromaticContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CE1 3.62Å; Y72-F78 HydrophobicContact CD1-CZ 4.01Å; Y72-F78 HydrophobicContact CD2-CZ 4.41Å; Y72-F78 AromaticContact CE1-CE1 3.81Å; Y72-F78 HydrophobicContact CE1-CE1 3.81Å; Y72-F78 AromaticContact CG-CE1 4Å; Y72-F78 HydrophobicContact CG-CE1 4Å; Y72-F78 AromaticContact CG-CZ 3.92Å; Y72-F78 HydrophobicContact CG-CZ 3.92Å; T75-F78 HydrophobicContact CG2-CD1 4.2Å; T75-F78 HydrophobicContact CG2-CD2 3.81Å; T75-F78 HydrophobicContact CG2-CE1 4.05Å; T75-F78 HydrophobicContact CG2-CE2 3.63Å; T75-F78 HydrophobicContact CG2-CG 4.09Å; T75-F78 HydrophobicContact CG2-CZ 3.77Å; F78-I101 HydrophobicContact CB-CD1 3.8Å; F78-I101 HydrophobicContact CD1-CB 4.23Å; F78-I101 HydrophobicContact CD1-CG2 3.68Å; F78-I101 HydrophobicContact CD2-CB 4.19Å; F78-I101 HydrophobicContact CD2-CD1 4.17Å; F78-I101 HydrophobicContact CE1-CB 4.22Å; F78-I101 HydrophobicContact CE1-CG2 3.73Å; F78-I101 HydrophobicContact CE2-CB 4.2Å; F78-I101 HydrophobicContact CG-CB 4.21Å; F78-I101 HydrophobicContact CG-CD1 3.94Å; F78-I101 HydrophobicContact CG-CG2 4.09Å; F78-I101 HydrophobicContact CZ-CB 4.21Å; F78-I101 HydrophobicContact CZ-CG2 4.2Å; F78-C105 HydrophobicContact CE2-CB 3.63Å; F78-C105 HydrophobicContact CZ-CB 4.13Å; F78-T108 HydrophobicContact CD2-CG2 3.53Å; F78-T108 HydrophobicContact CE2-CG2 3.68Å; F78-P109 PolarHBondContact N-O 3.21Å; F78-F110 HydrophobicContact CB-CB 3.71Å; F78-F110 CarbonylContact O-C 3.46Å; F78-F110 WeakPolarHBondContact O-CA 3.3Å; F78-L111 PolarHBondContact O-N 3.49Å
79L98.9Very high98.1Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-108.5108.1165-171.365.4000108.9V7 V8 V9 L19 L111 A113 V168V7-L79 PolarHBondContact O-N 2.97Å; V8-L79 WeakPolarHBondContact CA-O 3.5Å; V8-L79 HydrophobicContact CG1-CB 4.25Å; V8-L79 HydrophobicContact CG1-CD2 4.18Å; V8-L79 HydrophobicContact CG1-CG 4.41Å; V8-L79 HydrophobicContact CG2-CB 4.2Å; V8-L79 HydrophobicContact CG2-CD2 4.31Å; V9-L79 PolarHBondContact N-O 3.45Å; L19-L79 HydrophobicContact CD2-CD2 3.45Å; L19-L79 VanDerWaalsContact CD2-CD2 3.45Å; L79-L111 HydrophobicContact CD1-CB 3.79Å; L79-L111 HydrophobicContact CD1-CD1 4.26Å; L79-A113 HydrophobicContact CD1-CB 3.66Å; L79-A113 HydrophobicContact CG-CB 4.09Å; L79-V168 HydrophobicContact CD1-CG1 3.72Å; L79-V168 HydrophobicContact CD2-CG1 3.57Å; L79-V168 HydrophobicContact CG-CG1 4.31Å
80V98.9Very high98.2Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-93.8107.5179-1740000108.5V9 V93 W97 V98 I101 F110 L111 L112 A113V9-V80 HydrophobicContact CG2-CB 4.29Å; V9-V80 HydrophobicContact CG2-CG1 4.33Å; V9-V80 HydrophobicContact CG2-CG2 3.85Å; V80-V93 HydrophobicContact CG1-CG1 4.03Å; V80-V93 HydrophobicContact CG1-CG2 4.3Å; V80-W97 HydrophobicContact CG1-CB 3.73Å; V80-W97 HydrophobicContact CG1-CG 4.48Å; V80-V98 HydrophobicContact CG1-CG2 4.44Å; V80-V98 HydrophobicContact CG2-CG2 4.44Å; V80-I101 HydrophobicContact CG2-CD1 3.61Å; V80-F110 HydrophobicContact CB-CD2 4.48Å; V80-F110 HydrophobicContact CG2-CB 4.31Å; V80-F110 HydrophobicContact CG2-CD2 3.77Å; V80-F110 HydrophobicContact CG2-CG 4.34Å; V80-L111 PolarHBondContact N-O 3.42Å; V80-L112 HydrophobicContact CB-CD1 4.41Å; V80-L112 HydrophobicContact CG1-CD1 4.37Å; V80-A113 PolarHBondContact O-N 3.36Å
81C98.9Very high98.3Very high0 Ų027.6 Ų27.60%015%0.154CC..EExtended strand (participates in β ladder)trans-98140-175.4-65.40000112.2V8 V9 G10 V14 K16 A113 T115V8-C81 VanDerWaalsContact CG1-SG 3.6Å; V9-C81 PolarHBondContact O-N 3.32Å; G10-C81 VanDerWaalsContact CA-O 3.32Å; G10-C81 WeakPolarHBondContact CA-O 3.17Å; V14-C81 HydrophobicContact CG2-CB 3.89Å; K16-C81 HydrophobicContact CG-CB 3.96Å; C81-A113 WeakPolarHBondContact CA-O 3.2Å; C81-T115 HydrophobicContact CB-CG2 4.21Å
82F98.9Very high98.4Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-135.4162.5161.872-86.5000109V84 S89 F90 V93 L112 A113 T115 I137 Y154F82-V84 HydrophobicContact CE2-CG1 4.15Å; F82-S89 WeakPolarHBondContact CB-O 3.43Å; F82-F90 HydrophobicContact CD1-CD2 4.18Å; F82-F90 HydrophobicContact CD2-CB 3.8Å; F82-F90 AromaticContact CD2-CD2 3.81Å; F82-F90 HydrophobicContact CD2-CD2 3.81Å; F82-F90 HydrophobicContact CD2-CG 4.29Å; F82-F90 AromaticContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CE2 4.32Å; F82-F90 HydrophobicContact CE2-CB 4.23Å; F82-F90 AromaticContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CE2 4.35Å; F82-F90 HydrophobicContact CE2-CG 4.3Å; F82-F90 HydrophobicContact CG-CB 4.27Å; F82-F90 HydrophobicContact CG-CD2 4.13Å; F82-F90 AromaticContact CZ-CD2 3.58Å; F82-F90 HydrophobicContact CZ-CD2 3.58Å; F82-F90 HydrophobicContact CZ-CE2 4.02Å; F82-V93 HydrophobicContact CB-CG2 3.9Å; F82-V93 HydrophobicContact CD1-CG2 3.98Å; F82-V93 HydrophobicContact CG-CG2 4.24Å; F82-L112 HydrophobicContact CD1-CD1 3.69Å; F82-L112 HydrophobicContact CD1-CG 4.2Å; F82-L112 HydrophobicContact CE1-CD1 3.83Å; F82-L112 HydrophobicContact CE1-CD2 4.09Å; F82-L112 HydrophobicContact CE1-CG 3.8Å; F82-A113 PolarHBondContact N-O 3.27Å; F82-T115 PolarHBondContact O-N 2.89Å; F82-T115 PolarHBondContact O-OG1 2.91Å; F82-I137 HydrophobicContact CE2-CB 4.01Å; F82-I137 HydrophobicContact CE2-CG1 4.05Å; F82-I137 HydrophobicContact CE2-CG2 3.81Å; F82-I137 HydrophobicContact CZ-CG2 4.1Å; F82-Y154 AromaticContact CE1-CE2 3.74Å; F82-Y154 HydrophobicContact CE1-CE2 3.74Å; F82-Y154 AromaticContact CZ-CE2 3.78Å; F82-Y154 HydrophobicContact CZ-CE2 3.78Å; F82-Y154 WeakPolarHBondContact CZ-OH 3.37Å
83S98.9Very high98.4Very high2 Ų229 Ų291%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-93.3131.2173.81630000110.3V85 S86 S89 T115 Q116S83-V85 PolarHBondContact O-N 2.66Å; S83-V85 VanDerWaalsContact O-N 3.07Å; S83-V85 VanDerWaalsContact OG-CG2 3.25Å; S83-V85 WeakPolarHBondContact OG-CG2 3.42Å; S83-V85 PolarHBondContact OG-N 3.2Å; S83-S86 PolarHBondContact O-N 2.91Å; S83-S89 PolarHBondContact N-OG 3.45Å; S83-S89 PolarHBondContact O-OG 3.37Å; S83-T115 WeakPolarHBondContact CA-OG1 3.41Å; S83-Q116 PolarHBondContact OG-OE1 2.79Å
84V98.8Very high98.5Very high0 Ų030.7 Ų30.70%016%0.157CC..THydrogen-bonded Turntrans-64.6-14.6178.7-55.80000113F82 T115 I117 R120 M136 I137F82-V84 HydrophobicContact CE2-CG1 4.15Å; V84-T115 PolarHBondContact N-O 2.8Å; V84-I117 HydrophobicContact CG1-CG2 4.05Å; V84-I117 HydrophobicContact CG2-CG2 4.11Å; V84-R120 HydrophobicContact CG2-CG 3.97Å; V84-M136 WeakPolarHBondContact O-CA 3.41Å; V84-I137 PolarHBondContact O-N 2.78Å
85V98.2Very high98.6Very high18 Ų1828.7 Ų28.711%0.10915%0.148CC..THydrogen-bonded Turntrans-106.58.5176.5-56.40000113.4S83 L119 V125 L129 M136S83-V85 PolarHBondContact O-N 2.66Å; S83-V85 VanDerWaalsContact O-N 3.07Å; S83-V85 VanDerWaalsContact OG-CG2 3.25Å; S83-V85 WeakPolarHBondContact OG-CG2 3.42Å; S83-V85 PolarHBondContact OG-N 3.2Å; V85-L119 HydrophobicContact CB-CB 4.48Å; V85-L119 HydrophobicContact CG1-CB 3.7Å; V85-L119 HydrophobicContact CG2-CB 4.05Å; V85-L119 HydrophobicContact CG2-CD1 3.7Å; V85-V125 HydrophobicContact CB-CG1 3.65Å; V85-V125 HydrophobicContact CG1-CG1 3.81Å; V85-V125 HydrophobicContact CG2-CG1 4.13Å; V85-L129 HydrophobicContact CB-CD1 4.44Å; V85-M136 HydrophobicContact CG1-CE 3.96Å; V85-M136 HydrophobicContact CG1-CG 4.13Å; V85-M136 HydrophobicContact CG1-SD 4.28Å
86S98Very high98.6Very high39 Ų3930 Ų3027%0.27315%0.153SC..  trans-124.889.8174.7-1770000110.6S83 S88 S89 F90S83-S86 PolarHBondContact O-N 2.91Å; S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.82Å; S86-S88 PolarHBondContact OG-OG 3.15Å; S86-S89 WeakPolarHBondContact CB-OG 3.28Å; S86-S89 WeakPolarHBondContact O-CB 3.38Å; S86-S89 PolarHBondContact O-N 2.89Å; S86-S89 PolarHBondContact O-OG 2.72Å; S86-F90 PolarHBondContact O-N 3.4Å
87P98.2Very high98.6Very high20 Ų2026.8 Ų26.813%0.1314%0.136CC..Hα-helixtrans-58.5-33.4-176.3-28.637.5000114.5S89 F90 E91 L129 Q134 K135 I137P87-S89 VanDerWaalsContact C-N 3.3Å; P87-S89 PolarHBondContact O-N 2.9Å; P87-F90 WeakPolarHBondContact O-CB 3.47Å; P87-F90 PolarHBondContact O-N 3Å; P87-F90 VanDerWaalsContact O-N 3.16Å; P87-E91 PolarHBondContact O-N 2.88Å; P87-E91 VanDerWaalsContact O-N 3.12Å; P87-L129 HydrophobicContact CG-CD2 4.16Å; P87-Q134 HydrophobicContact CG-CB 4.22Å; P87-Q134 HydrophobicContact CG-CG 4.49Å; P87-K135 VanDerWaalsContact CG-O 3.32Å; P87-K135 WeakPolarHBondContact CG-O 3.19Å; P87-I137 HydrophobicContact CB-CD1 4.34Å
88S97.9Very high98.6Very high65 Ų6527.3 Ų27.346%0.45514%0.139SC..Hα-helixtrans-62.3-39.1175.355.90000111.9S86 F90 E91 N92S86-S88 VanDerWaalsContact C-N 3.26Å; S86-S88 PolarHBondContact O-N 2.82Å; S86-S88 PolarHBondContact OG-OG 3.15Å; S88-F90 PolarHBondContact O-N 2.85Å; S88-E91 PolarHBondContact O-N 2.9Å; S88-N92 WeakPolarHBondContact O-CB 3.2Å; S88-N92 VanDerWaalsContact O-CG 3.31Å; S88-N92 PolarHBondContact O-N 2.85Å; S88-N92 PolarHBondContact O-ND2 2.72Å
89S98.8Very high98.6Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-65.7-27.9177.574.40000112.9D11 F82 S83 S86 P87 V93D11-S89 VanDerWaalsContact OD2-CA 3.26Å; D11-S89 WeakPolarHBondContact OD2-CA 3.38Å; F82-S89 WeakPolarHBondContact CB-O 3.43Å; S83-S89 PolarHBondContact N-OG 3.45Å; S83-S89 PolarHBondContact O-OG 3.37Å; S86-S89 WeakPolarHBondContact CB-OG 3.28Å; S86-S89 WeakPolarHBondContact O-CB 3.38Å; S86-S89 PolarHBondContact O-N 2.89Å; S86-S89 PolarHBondContact O-OG 2.72Å; P87-S89 VanDerWaalsContact C-N 3.3Å; P87-S89 PolarHBondContact O-N 2.9Å; S89-V93 WeakPolarHBondContact O-CG2 3.37Å
90F98.8Very high98.6Very high13 Ų1331.6 Ų31.66%0.05716%0.164CC..Hα-helixtrans-72.6-44.5174.3176.6-103.4000111.8F82 S86 P87 S88 N92 V93 I137 M141 L145F82-F90 HydrophobicContact CD1-CD2 4.18Å; F82-F90 HydrophobicContact CD2-CB 3.8Å; F82-F90 AromaticContact CD2-CD2 3.81Å; F82-F90 HydrophobicContact CD2-CD2 3.81Å; F82-F90 HydrophobicContact CD2-CG 4.29Å; F82-F90 AromaticContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CD2 3.89Å; F82-F90 HydrophobicContact CE1-CE2 4.32Å; F82-F90 HydrophobicContact CE2-CB 4.23Å; F82-F90 AromaticContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CD2 3.55Å; F82-F90 HydrophobicContact CE2-CE2 4.35Å; F82-F90 HydrophobicContact CE2-CG 4.3Å; F82-F90 HydrophobicContact CG-CB 4.27Å; F82-F90 HydrophobicContact CG-CD2 4.13Å; F82-F90 AromaticContact CZ-CD2 3.58Å; F82-F90 HydrophobicContact CZ-CD2 3.58Å; F82-F90 HydrophobicContact CZ-CE2 4.02Å; S86-F90 PolarHBondContact O-N 3.4Å; P87-F90 WeakPolarHBondContact O-CB 3.47Å; P87-F90 PolarHBondContact O-N 3Å; P87-F90 VanDerWaalsContact O-N 3.16Å; S88-F90 PolarHBondContact O-N 2.85Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.13Å; F90-V93 VanDerWaalsContact O-CB 3.27Å; F90-V93 WeakPolarHBondContact O-CB 3.11Å; F90-V93 WeakPolarHBondContact O-CG2 3.47Å; F90-V93 PolarHBondContact O-N 3.31Å; F90-I137 HydrophobicContact CB-CD1 3.81Å; F90-I137 HydrophobicContact CB-CG1 3.83Å; F90-I137 HydrophobicContact CD1-CD1 3.71Å; F90-I137 HydrophobicContact CD1-CG1 4.41Å; F90-I137 HydrophobicContact CD2-CD1 4.42Å; F90-I137 HydrophobicContact CD2-CG1 4.26Å; F90-I137 HydrophobicContact CD2-CG2 3.8Å; F90-I137 HydrophobicContact CE1-CD1 4.37Å; F90-I137 HydrophobicContact CE2-CG2 3.79Å; F90-I137 HydrophobicContact CG-CD1 3.73Å; F90-I137 HydrophobicContact CG-CG1 3.92Å; F90-I137 HydrophobicContact CG-CG2 4.19Å; F90-I137 HydrophobicContact CZ-CG2 4.2Å; F90-M141 HydrophobicContact CE1-CE 4.3Å; F90-M141 HydrophobicContact CZ-CB 4.22Å; F90-L145 HydrophobicContact CD2-CD2 3.82Å; F90-L145 HydrophobicContact CE1-CD2 4.18Å; F90-L145 HydrophobicContact CE2-CB 3.88Å; F90-L145 HydrophobicContact CE2-CD2 3.34Å; F90-L145 HydrophobicContact CE2-CG 4.23Å; F90-L145 HydrophobicContact CG-CD2 4.44Å; F90-L145 HydrophobicContact CZ-CB 3.72Å; F90-L145 HydrophobicContact CZ-CD2 3.56Å; F90-L145 HydrophobicContact CZ-CG 4.18Å
91E98.6Very high98.6Very high77 Ų7731.8 Ų31.836%0.3617%0.165SC..Hα-helixtrans-63.1-40.7175.4-61.9-54144.700111.5P87 S88 V93 R94 E95P87-E91 PolarHBondContact O-N 2.88Å; P87-E91 VanDerWaalsContact O-N 3.12Å; S88-E91 PolarHBondContact O-N 2.9Å; E91-V93 PolarHBondContact O-N 2.67Å; E91-V93 VanDerWaalsContact O-N 3.07Å; E91-R94 PolarHBondContact O-N 3.34Å; E91-E95 PolarHBondContact O-N 2.85Å; E91-E95 VanDerWaalsContact O-N 3.08Å
92N98.8Very high98.5Very high44 Ų4434.8 Ų34.824%0.23518%0.184CC..Hα-helixtrans-61.1-19.8177.6-75.6-17.9000113.8D11 S88 F90 R94 K96 W97D11-N92 WeakPolarHBondContact OD1-CB 2.96Å; D11-N92 PolarHBondContact OD1-ND2 3.35Å; D11-N92 PolarHBondContact OD2-ND2 2.81Å; S88-N92 WeakPolarHBondContact O-CB 3.2Å; S88-N92 VanDerWaalsContact O-CG 3.31Å; S88-N92 PolarHBondContact O-N 2.85Å; S88-N92 PolarHBondContact O-ND2 2.72Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.13Å; N92-R94 VanDerWaalsContact C-N 3.32Å; N92-R94 PolarHBondContact O-N 2.96Å; N92-K96 WeakPolarHBondContact O-CA 3.18Å; N92-K96 WeakPolarHBondContact O-CB 3.37Å; N92-K96 PolarHBondContact O-N 2.94Å; N92-W97 VanDerWaalsContact O-CD1 3.23Å; N92-W97 PolarHBondContact O-N 2.95Å
93V98.9Very high98.5Very high0 Ų042 Ų420%022%0.217CC..Iπ-helixtrans-57.6-48.6170.5174.50000110.3V80 F82 S89 F90 E91 V98 L112 L145 L149V80-V93 HydrophobicContact CG1-CG1 4.03Å; V80-V93 HydrophobicContact CG1-CG2 4.3Å; F82-V93 HydrophobicContact CB-CG2 3.9Å; F82-V93 HydrophobicContact CD1-CG2 3.98Å; F82-V93 HydrophobicContact CG-CG2 4.24Å; S89-V93 WeakPolarHBondContact O-CG2 3.37Å; F90-V93 VanDerWaalsContact O-CB 3.27Å; F90-V93 WeakPolarHBondContact O-CB 3.11Å; F90-V93 WeakPolarHBondContact O-CG2 3.47Å; F90-V93 PolarHBondContact O-N 3.31Å; E91-V93 PolarHBondContact O-N 2.67Å; E91-V93 VanDerWaalsContact O-N 3.07Å; V93-V98 HydrophobicContact CG1-CG2 3.86Å; V93-V98 WeakPolarHBondContact O-CB 3.36Å; V93-V98 WeakPolarHBondContact O-CG2 3.36Å; V93-V98 PolarHBondContact O-N 3.2Å; V93-L112 HydrophobicContact CB-CD1 4.36Å; V93-L112 HydrophobicContact CG1-CD1 3.53Å; V93-L112 HydrophobicContact CG2-CD1 3.88Å; V93-L145 HydrophobicContact CB-CD2 3.98Å; V93-L145 HydrophobicContact CG1-CD2 3.92Å; V93-L149 HydrophobicContact CG1-CD1 3.63Å
94R98.7Very high98.4Very high111 Ų11146.1 Ų46.142%0.41924%0.236SC..Iπ-helixtrans-75.6-42.2179.7-179.8-173.1-68.3149.9-4.9111.4E91 N92 P99 L145 E148 L149E91-R94 PolarHBondContact O-N 3.34Å; N92-R94 VanDerWaalsContact C-N 3.32Å; N92-R94 PolarHBondContact O-N 2.96Å; R94-P99 WeakPolarHBondContact O-CD 3.33Å; R94-P99 WeakPolarHBondContact O-CG 3.27Å; R94-L145 HydrophobicContact CB-CD1 4.38Å; R94-E148 IonicContact CZ-OE2 2.72Å; R94-E148 IonicContact NH2-OE2 2.76Å; R94-E148 PolarHBondContact NH2-OE2 3.4Å; R94-L149 HydrophobicContact CB-CD1 4.4Å; R94-L149 HydrophobicContact CB-CD2 4.46Å; R94-L149 HydrophobicContact CG-CD2 4.2Å
95E98.4Very high98.4Very high137 Ų13747.2 Ų47.264%0.6424%0.243SC*.Iπ-helixtrans-79.6-30.4-170.3-63.4-175.516700113E91E91-E95 PolarHBondContact O-N 2.85Å; E91-E95 VanDerWaalsContact O-N 3.08Å
96K98.5Very high98.1Very high36 Ų3650.8 Ų50.816%0.15727%0.269CS..Iπ-helixtrans-126.9-63-173.1180176.3179.7163.10113.3D65 N92 P99 E100D65-K96 WeakPolarHBondContact OD1-CE 3.4Å; D65-K96 IonicContact OD1-NZ 2.7Å; D65-K96 PolarHBondContact OD1-NZ 2.89Å; D65-K96 IonicContact OD2-NZ 3.26Å; D65-K96 PolarHBondContact OD2-NZ 3.33Å; D65-K96 VanDerWaalsContact OD2-NZ 3.13Å; N92-K96 WeakPolarHBondContact O-CA 3.18Å; N92-K96 WeakPolarHBondContact O-CB 3.37Å; N92-K96 PolarHBondContact O-N 2.94Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; K96-E100 VanDerWaalsContact O-CB 3.29Å; K96-E100 WeakPolarHBondContact O-CB 3.23Å; K96-E100 PolarHBondContact O-N 3.49Å
97W98.8Very high97.9Very high0 Ų058.2 Ų58.20%030%0.296CS..Iπ-helixtrans-69.1-47-161.4-62.8110.4000113.7V9 G10 D11 R68 V80 N92 E100 I101V9-W97 HydrophobicContact CB-CE3 3.87Å; V9-W97 HydrophobicContact CB-CZ3 4.22Å; V9-W97 HydrophobicContact CG2-CE3 4.28Å; G10-W97 WeakPolarHBondContact O-CH2 3.12Å; G10-W97 WeakPolarHBondContact O-CZ2 3.27Å; D11-W97 PolarHBondContact OD1-NE1 2.95Å; R68-W97 VanDerWaalsContact CZ-CZ3 3.48Å; V80-W97 HydrophobicContact CG1-CB 3.73Å; V80-W97 HydrophobicContact CG1-CG 4.48Å; N92-W97 VanDerWaalsContact O-CD1 3.23Å; N92-W97 PolarHBondContact O-N 2.95Å; W97-E100 PolarHBondContact O-N 3.33Å; W97-I101 PolarHBondContact O-N 3.08Å; W97-I101 VanDerWaalsContact O-N 3.07Å
98V98.8Very high97.8Very high11 Ų1158.8 Ų58.87%0.06730%0.3CS..Hα-helixtrans-67.2-45.3176.9173.20000111.5V80 V93 E100 I101 T102 F110 L149V80-V98 HydrophobicContact CG1-CG2 4.44Å; V80-V98 HydrophobicContact CG2-CG2 4.44Å; V93-V98 HydrophobicContact CG1-CG2 3.86Å; V93-V98 WeakPolarHBondContact O-CB 3.36Å; V93-V98 WeakPolarHBondContact O-CG2 3.36Å; V93-V98 PolarHBondContact O-N 3.2Å; V98-E100 VanDerWaalsContact C-N 3.3Å; V98-E100 PolarHBondContact O-N 2.89Å; V98-I101 WeakPolarHBondContact O-CG1 3.18Å; V98-T102 WeakPolarHBondContact O-CB 3.12Å; V98-T102 PolarHBondContact O-N 3.37Å; V98-T102 PolarHBondContact O-OG1 3.01Å; V98-F110 HydrophobicContact CG1-CE1 4.27Å; V98-F110 HydrophobicContact CG1-CZ 3.89Å; V98-F110 HydrophobicContact CG2-CD2 4.36Å; V98-F110 HydrophobicContact CG2-CE2 3.64Å; V98-F110 HydrophobicContact CG2-CZ 3.87Å; V98-L149 HydrophobicContact CB-CD1 4.25Å; V98-L149 HydrophobicContact CG1-CB 4.42Å; V98-L149 HydrophobicContact CG2-CD1 3.81Å
99P98.5Very high97.8Very high62 Ų6256.5 Ų56.540%0.40328%0.283SS..Hα-helixtrans-53.3-44.1170.8-29.735.3000113.8R94 K96 T102 H103R94-P99 WeakPolarHBondContact O-CD 3.33Å; R94-P99 WeakPolarHBondContact O-CG 3.27Å; K96-P99 WeakPolarHBondContact O-CD 3.17Å; P99-T102 PolarHBondContact O-N 3.24Å; P99-H103 WeakPolarHBondContact O-CB 3.35Å; P99-H103 PolarHBondContact O-N 2.76Å
100E98.6Very high97.8Very high29 Ų2957.2 Ų57.214%0.13629%0.286CS..Hα-helixtrans-63.9-53.5-179.1-172-176.2115.400112R68 Y72 K96 W97 V98 T102 H103 H104R68-E100 WeakPolarHBondContact CD-OE1 3.43Å; R68-E100 IonicContact CZ-OE1 2.91Å; R68-E100 VanDerWaalsContact NH1-CD 3.34Å; R68-E100 IonicContact NH1-OE1 2.62Å; R68-E100 PolarHBondContact NH1-OE1 3.38Å; R68-E100 IonicContact NH1-OE2 3.02Å; R68-E100 PolarHBondContact NH1-OE2 3.07Å; Y72-E100 HydrophobicContact CE2-CG 4.24Å; Y72-E100 PolarHBondContact OH-OE1 3.26Å; K96-E100 VanDerWaalsContact O-CB 3.29Å; K96-E100 WeakPolarHBondContact O-CB 3.23Å; K96-E100 PolarHBondContact O-N 3.49Å; W97-E100 PolarHBondContact O-N 3.33Å; V98-E100 VanDerWaalsContact C-N 3.3Å; V98-E100 PolarHBondContact O-N 2.89Å; E100-T102 VanDerWaalsContact C-N 3.25Å; E100-T102 PolarHBondContact O-N 2.87Å; E100-H103 WeakPolarHBondContact O-CB 3.38Å; E100-H103 PolarHBondContact O-N 2.9Å; E100-H104 PolarHBondContact O-CD2 3.45Å; E100-H104 VanDerWaalsContact O-CD2 3.27Å; E100-H104 PolarHBondContact O-N 2.62Å
101I98.5Very high97.8Very high4 Ų456.6 Ų56.62%0.02128%0.284CS..Hα-helixtrans-65.8-32.2179.767.5174000111.5V9 Y72 F78 V80 W97 V98 H104 C105 F110V9-I101 HydrophobicContact CG1-CG2 4.31Å; V9-I101 HydrophobicContact CG2-CG2 3.97Å; Y72-I101 HydrophobicContact CE2-CG2 4.36Å; F78-I101 HydrophobicContact CB-CD1 3.8Å; F78-I101 HydrophobicContact CD1-CB 4.23Å; F78-I101 HydrophobicContact CD1-CG2 3.68Å; F78-I101 HydrophobicContact CD2-CB 4.19Å; F78-I101 HydrophobicContact CD2-CD1 4.17Å; F78-I101 HydrophobicContact CE1-CB 4.22Å; F78-I101 HydrophobicContact CE1-CG2 3.73Å; F78-I101 HydrophobicContact CE2-CB 4.2Å; F78-I101 HydrophobicContact CG-CB 4.21Å; F78-I101 HydrophobicContact CG-CD1 3.94Å; F78-I101 HydrophobicContact CG-CG2 4.09Å; F78-I101 HydrophobicContact CZ-CB 4.21Å; F78-I101 HydrophobicContact CZ-CG2 4.2Å; V80-I101 HydrophobicContact CG2-CD1 3.61Å; W97-I101 PolarHBondContact O-N 3.08Å; W97-I101 VanDerWaalsContact O-N 3.07Å; V98-I101 WeakPolarHBondContact O-CG1 3.18Å; I101-H104 PolarHBondContact O-N 3.35Å; I101-C105 CarbonylContact O-C 3.58Å; I101-C105 WeakPolarHBondContact O-CA 3.21Å; I101-C105 WeakPolarHBondContact O-CB 3.4Å; I101-C105 PolarHBondContact O-N 3.49Å; I101-F110 HydrophobicContact CD1-CB 3.8Å; I101-F110 HydrophobicContact CD1-CD1 4.19Å; I101-F110 HydrophobicContact CD1-CD2 4.37Å; I101-F110 HydrophobicContact CD1-CG 3.88Å
102T97.8Very high97.9Very high62 Ų6253 Ų5338%0.3827%0.267SS..Hα-helixtrans-70.3-36.4177.6-58.20000111.2V98 P99 E100 H104 S106V98-T102 WeakPolarHBondContact O-CB 3.12Å; V98-T102 PolarHBondContact O-N 3.37Å; V98-T102 PolarHBondContact O-OG1 3.01Å; P99-T102 PolarHBondContact O-N 3.24Å; E100-T102 VanDerWaalsContact C-N 3.25Å; E100-T102 PolarHBondContact O-N 2.87Å; T102-H104 VanDerWaalsContact C-N 3.35Å; T102-S106 VanDerWaalsContact O-CA 3.23Å; T102-S106 WeakPolarHBondContact O-CA 3.4Å; T102-S106 WeakPolarHBondContact O-CB 3.42Å; T102-S106 PolarHBondContact O-N 3.39Å; T102-S106 VanDerWaalsContact O-N 3.15Å
103H97.7Very high97.9Very high151 Ų15150.9 Ų50.970%0.69926%0.256SS*.Hα-helixtrans-60.6-44.3175.5176.273.9000111.5P99 E100P99-H103 WeakPolarHBondContact O-CB 3.35Å; P99-H103 PolarHBondContact O-N 2.76Å; E100-H103 WeakPolarHBondContact O-CB 3.38Å; E100-H103 PolarHBondContact O-N 2.9Å
104H98.1Very high97.9Very high90 Ų9050.9 Ų50.942%0.41726%0.256SS..Hα-helixtrans-85-33.8-178.7-69.6-71.7000113.8P69 Y72 E100 I101 T102P69-H104 WeakPolarHBondContact CB-NE2 3.46Å; Y72-H104 HydrophobicContact CD2-CB 3.73Å; Y72-H104 AromaticContact CD2-CD2 3.79Å; Y72-H104 AromaticContact CD2-CG 3.84Å; Y72-H104 AromaticContact CE2-CD2 3.89Å; E100-H104 PolarHBondContact O-CD2 3.45Å; E100-H104 VanDerWaalsContact O-CD2 3.27Å; E100-H104 PolarHBondContact O-N 2.62Å; I101-H104 PolarHBondContact O-N 3.35Å; T102-H104 VanDerWaalsContact C-N 3.35Å
105C97Very high97.9Very high22 Ų2245.8 Ų45.815%0.14924%0.237CC..  trans-140.257.8-167.4-630000111.5Y72 F78 I101 K107 T108Y72-C105 PolarHBondContact O-SG 2.95Å; F78-C105 HydrophobicContact CE2-CB 3.63Å; F78-C105 HydrophobicContact CZ-CB 4.13Å; I101-C105 CarbonylContact O-C 3.58Å; I101-C105 WeakPolarHBondContact O-CA 3.21Å; I101-C105 WeakPolarHBondContact O-CB 3.4Å; I101-C105 PolarHBondContact O-N 3.49Å; C105-K107 PolarHBondContact O-N 3.15Å; C105-T108 PolarHBondContact O-N 2.93Å
106S93.1Very high97.9Very high94 Ų9441.5 Ų41.566%0.65722%0.217SC*.THydrogen-bonded Turntrans-54.7-16-172.859.10000117.5T102T102-S106 VanDerWaalsContact O-CA 3.23Å; T102-S106 WeakPolarHBondContact O-CA 3.4Å; T102-S106 WeakPolarHBondContact O-CB 3.42Å; T102-S106 PolarHBondContact O-N 3.39Å; T102-S106 VanDerWaalsContact O-N 3.15Å
107K92.8Very high97.9Very high194 Ų19440.8 Ų40.884%0.84321%0.214SC*.THydrogen-bonded Turntrans-111-7.1-179.9-61.9-177.1-177.2176.90113.7C105C105-K107 PolarHBondContact O-N 3.15Å
108T97.3Very high97.8Very high33 Ų3343 Ų4320%0.20223%0.226CC..  trans-76.9126.4-176.3-60.80000108.9T75 F78 C105T75-T108 HydrophobicContact CG2-CG2 4.02Å; T75-T108 WeakPolarHBondContact O-CG2 3.3Å; T75-T108 PolarHBondContact O-OG1 3.32Å; F78-T108 HydrophobicContact CD2-CG2 3.53Å; F78-T108 HydrophobicContact CE2-CG2 3.68Å; C105-T108 PolarHBondContact O-N 2.93Å
109P98.3Very high97.7Very high16 Ų1644.6 Ų44.610%0.10423%0.234CC..  trans-64.1152.6176.626.8-33.7000110.7D76 V77 F78 V152 A175D76-P109 WeakPolarHBondContact O-CD 3.41Å; D76-P109 WeakPolarHBondContact O-CG 2.91Å; V77-P109 WeakPolarHBondContact CA-O 3.37Å; F78-P109 PolarHBondContact N-O 3.21Å; P109-V152 HydrophobicContact CB-CG2 3.62Å; P109-A175 HydrophobicContact CB-CB 4.48Å; P109-A175 WeakPolarHBondContact CG-O 3.33Å
110F98.7Very high97.6Very high16 Ų1644.7 Ų44.77%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-140152.7174.373.9-85000111.7F78 V80 V98 I101 L149 A151 V152F78-F110 HydrophobicContact CB-CB 3.71Å; F78-F110 CarbonylContact O-C 3.46Å; F78-F110 WeakPolarHBondContact O-CA 3.3Å; V80-F110 HydrophobicContact CB-CD2 4.48Å; V80-F110 HydrophobicContact CG2-CB 4.31Å; V80-F110 HydrophobicContact CG2-CD2 3.77Å; V80-F110 HydrophobicContact CG2-CG 4.34Å; V98-F110 HydrophobicContact CG1-CE1 4.27Å; V98-F110 HydrophobicContact CG1-CZ 3.89Å; V98-F110 HydrophobicContact CG2-CD2 4.36Å; V98-F110 HydrophobicContact CG2-CE2 3.64Å; V98-F110 HydrophobicContact CG2-CZ 3.87Å; I101-F110 HydrophobicContact CD1-CB 3.8Å; I101-F110 HydrophobicContact CD1-CD1 4.19Å; I101-F110 HydrophobicContact CD1-CD2 4.37Å; I101-F110 HydrophobicContact CD1-CG 3.88Å; F110-L149 HydrophobicContact CZ-CB 4.05Å; F110-L149 VanDerWaalsContact CZ-O 3.28Å; F110-L149 WeakPolarHBondContact CZ-O 3.26Å; F110-A151 HydrophobicContact CD2-CB 3.91Å; F110-A151 HydrophobicContact CE2-CB 3.46Å; F110-A151 VanDerWaalsContact CE2-CB 3.46Å; F110-A151 HydrophobicContact CZ-CB 3.86Å; F110-A151 CarbonylContact O-C 3.57Å; F110-A151 WeakPolarHBondContact O-CA 3.02Å; F110-V152 PolarHBondContact O-N 3.21Å
111L98.8Very high97.3Very high0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-106147.9169.8-69.2163.7000109.6F78 L79 V80 V152 K153 E171 A172F78-L111 PolarHBondContact O-N 3.49Å; L79-L111 HydrophobicContact CD1-CB 3.79Å; L79-L111 HydrophobicContact CD1-CD1 4.26Å; V80-L111 PolarHBondContact N-O 3.42Å; L111-V152 HydrophobicContact CD2-CB 4.29Å; L111-K153 HydrophobicContact CD2-CB 3.43Å; L111-K153 VanDerWaalsContact CD2-CB 3.43Å; L111-E171 HydrophobicContact CD1-CB 4.1Å; L111-E171 HydrophobicContact CD2-CB 4.18Å; L111-A172 HydrophobicContact CD1-CB 3.54Å; L111-A172 VanDerWaalsContact CD1-N 3.26Å
112L98.9Very high97.2Very high1 Ų154.4 Ų54.41%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-98.2125.4167.4-176.461.4000109V80 F82 V93 L145 A146 A151 K153 Y154 V155V80-L112 HydrophobicContact CB-CD1 4.41Å; V80-L112 HydrophobicContact CG1-CD1 4.37Å; F82-L112 HydrophobicContact CD1-CD1 3.69Å; F82-L112 HydrophobicContact CD1-CG 4.2Å; F82-L112 HydrophobicContact CE1-CD1 3.83Å; F82-L112 HydrophobicContact CE1-CD2 4.09Å; F82-L112 HydrophobicContact CE1-CG 3.8Å; V93-L112 HydrophobicContact CB-CD1 4.36Å; V93-L112 HydrophobicContact CG1-CD1 3.53Å; V93-L112 HydrophobicContact CG2-CD1 3.88Å; L112-L145 HydrophobicContact CD2-CB 4.11Å; L112-L145 HydrophobicContact CD2-CD2 4.06Å; L112-L145 HydrophobicContact CD2-CG 4.14Å; L112-A146 HydrophobicContact CB-CB 4.19Å; L112-A146 HydrophobicContact CD2-CB 4.05Å; L112-A151 HydrophobicContact CB-CB 4.26Å; L112-K153 PolarHBondContact N-O 3.18Å; L112-Y154 HydrophobicContact CB-CD2 4.06Å; L112-Y154 HydrophobicContact CD2-CD2 3.99Å; L112-Y154 HydrophobicContact CD2-CE2 4.4Å; L112-Y154 HydrophobicContact CG-CD2 3.85Å; L112-Y154 HydrophobicContact CG-CE2 4.23Å; L112-Y154 WeakPolarHBondContact O-CA 3.47Å; L112-Y154 WeakPolarHBondContact O-CD2 3.32Å; L112-V155 PolarHBondContact O-N 3.02Å
113A98.9Very high97.1Very high0 Ų055.4 Ų55.40%028%0.283CS..EExtended strand (participates in β ladder)trans-119.4112.7-177.900000112.4L79 V80 C81 F82 V155L79-A113 HydrophobicContact CD1-CB 3.66Å; L79-A113 HydrophobicContact CG-CB 4.09Å; V80-A113 PolarHBondContact O-N 3.36Å; C81-A113 WeakPolarHBondContact CA-O 3.2Å; F82-A113 PolarHBondContact N-O 3.27Å; A113-V155 CarbonylContact C-O 3.59Å; A113-V155 WeakPolarHBondContact CA-O 3.34Å; A113-V155 HydrophobicContact CB-CG2 4.08Å
114G98.9Very high97Very high0 Ų051.9 Ų51.90%028%0.275CS..EExtended strand (participates in β ladder)trans-80.3113167.200000110.3V155 E156 C157G114-V155 PolarHBondContact N-O 3.12Å; G114-E156 CarbonylContact O-C 3.48Å; G114-E156 VanDerWaalsContact O-CA 3.24Å; G114-E156 WeakPolarHBondContact O-CA 2.95Å; G114-C157 PolarHBondContact O-N 2.9Å
115T98.8Very high96.9Very high4 Ų448.8 Ų48.83%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-103.4167.2-176.458.70000111.6V14 C81 F82 S83 V84 C157V14-T115 WeakPolarHBondContact O-CB 2.97Å; V14-T115 PolarHBondContact O-OG1 3.05Å; C81-T115 HydrophobicContact CB-CG2 4.21Å; F82-T115 PolarHBondContact O-N 2.89Å; F82-T115 PolarHBondContact O-OG1 2.91Å; S83-T115 WeakPolarHBondContact CA-OG1 3.41Å; V84-T115 PolarHBondContact N-O 2.8Å; T115-C157 CarbonylContact C-O 3.55Å; T115-C157 WeakPolarHBondContact CA-O 3.37Å
116Q98.4Very high96.8Very high47 Ų4751.3 Ų51.322%0.2227%0.274CS..  trans64.336.3176.6-53.8174.3-13.900113.8A13 V14 S83 D118 L119 C157A13-Q116 PolarHBondContact O-NE2 2.63Å; V14-Q116 PolarHBondContact O-NE2 2.7Å; S83-Q116 PolarHBondContact OG-OE1 2.79Å; Q116-D118 PolarHBondContact O-N 2.85Å; Q116-L119 HydrophobicContact CB-CD1 3.97Å; Q116-L119 HydrophobicContact CB-CG 4.28Å; Q116-L119 WeakPolarHBondContact O-CB 3.27Å; Q116-L119 PolarHBondContact O-N 3.38Å; Q116-C157 PolarHBondContact N-O 3.48Å; Q116-C157 VanDerWaalsContact N-O 3.12Å
117I98.6Very high97Very high20 Ų2051.2 Ų51.210%0.10327%0.266CS..G310 helixtrans-65.7-17.7179.367.7-178.4000114.3V84 L119 R120 E156 C157 K163V84-I117 HydrophobicContact CG1-CG2 4.05Å; V84-I117 HydrophobicContact CG2-CG2 4.11Å; I117-L119 PolarHBondContact O-N 3.46Å; I117-R120 WeakPolarHBondContact O-CB 3.45Å; I117-R120 WeakPolarHBondContact O-CG 3.46Å; I117-R120 PolarHBondContact O-N 3.27Å; I117-E156 HydrophobicContact CG2-CB 3.88Å; I117-E156 HydrophobicContact CG2-CG 4.24Å; I117-E156 WeakPolarHBondContact CG2-OE2 3.43Å; I117-C157 PolarHBondContact N-O 3.23Å; I117-K163 HydrophobicContact CD1-CB 4.3Å; I117-K163 HydrophobicContact CD1-CD 3.86Å; I117-K163 HydrophobicContact CD1-CG 3.98Å
118D97.3Very high97.2Very high48 Ų4848.8 Ų48.826%0.25726%0.256SS..G310 helixtrans-60.7-26.5170.650.1-73.9000112.4Q116 R120 S158 T161Q116-D118 PolarHBondContact O-N 2.85Å; D118-R120 VanDerWaalsContact C-N 3.27Å; D118-R120 PolarHBondContact O-N 2.94Å; D118-S158 WeakPolarHBondContact CB-OG 3.43Å; D118-S158 WeakPolarHBondContact OD1-CB 3.5Å; D118-S158 PolarHBondContact OD1-OG 3.04Å; D118-T161 HydrophobicContact CB-CG2 4.05Å
119L97.6Very high97.1Very high44 Ų4447.8 Ų47.823%0.2325%0.249CC..G310 helixtrans-81.1-2.2178.5-59-177.3000113.7V85 Q116 I117 E121 D122 V125 M136V85-L119 HydrophobicContact CB-CB 4.48Å; V85-L119 HydrophobicContact CG1-CB 3.7Å; V85-L119 HydrophobicContact CG2-CB 4.05Å; V85-L119 HydrophobicContact CG2-CD1 3.7Å; Q116-L119 HydrophobicContact CB-CD1 3.97Å; Q116-L119 HydrophobicContact CB-CG 4.28Å; Q116-L119 WeakPolarHBondContact O-CB 3.27Å; Q116-L119 PolarHBondContact O-N 3.38Å; I117-L119 PolarHBondContact O-N 3.46Å; L119-E121 PolarHBondContact O-N 2.88Å; L119-D122 HydrophobicContact CD2-CB 4.35Å; L119-D122 PolarHBondContact O-N 2.97Å; L119-V125 HydrophobicContact CB-CG2 4.35Å; L119-V125 HydrophobicContact CD2-CG2 4.46Å; L119-M136 VanDerWaalsContact O-CE 3.27Å; L119-M136 WeakPolarHBondContact O-CE 3.13Å
120R95.4Very high97Very high64 Ų6450 Ų5024%0.24227%0.269CS..G310 helixtrans-63.6-30.1178.8-74.7-178.8176.8-77.41.7112.9V84 I117 D118 M136 I137 E156V84-R120 HydrophobicContact CG2-CG 3.97Å; I117-R120 WeakPolarHBondContact O-CB 3.45Å; I117-R120 WeakPolarHBondContact O-CG 3.46Å; I117-R120 PolarHBondContact O-N 3.27Å; D118-R120 VanDerWaalsContact C-N 3.27Å; D118-R120 PolarHBondContact O-N 2.94Å; R120-M136 HydrophobicContact CB-SD 4.3Å; R120-M136 HydrophobicContact CG-SD 4.44Å; R120-M136 WeakPolarHBondContact O-CE 3.4Å; R120-I137 PolarHBondContact NH1-O 2.82Å; R120-I137 PolarHBondContact NH2-O 3.49Å; R120-E156 IonicContact CZ-OE2 3.54Å; R120-E156 IonicContact NE-OE2 3.38Å; R120-E156 PolarHBondContact NE-OE2 2.96Å; R120-E156 IonicContact NH2-OE1 2.82Å; R120-E156 PolarHBondContact NH2-OE1 2.6Å; R120-E156 IonicContact NH2-OE2 2.9Å; R120-E156 PolarHBondContact NH2-OE2 3.38Å
121E92.7Very high96.9Very high180 Ų18057.4 Ų57.484%0.84130%0.301SS*.G310 helixtrans-104.12.7-178.1-63.1177.2-171.300112.1L119 S123L119-E121 PolarHBondContact O-N 2.88Å; E121-S123 PolarHBondContact O-N 3.07Å
122D96Very high96.7Very high56 Ų5661.9 Ų61.930%0.29933%0.325SS..  trans-75.3114.9179.3-175-68000110.6L119 S124 V125 I126L119-D122 HydrophobicContact CD2-CB 4.35Å; L119-D122 PolarHBondContact O-N 2.97Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.87Å; D122-S124 WeakPolarHBondContact OD1-CA 3.35Å; D122-S124 VanDerWaalsContact OD1-CB 3.29Å; D122-S124 WeakPolarHBondContact OD1-CB 3.19Å; D122-S124 PolarHBondContact OD1-N 3.43Å; D122-S124 PolarHBondContact OD1-OG 3.31Å; D122-V125 HydrophobicContact CB-CB 4.06Å; D122-V125 HydrophobicContact CB-CG2 3.92Å; D122-V125 PolarHBondContact O-N 3.41Å; D122-V125 PolarHBondContact OD1-N 3.22Å; D122-I126 VanDerWaalsContact O-CG1 3.26Å; D122-I126 WeakPolarHBondContact O-CG1 3.43Å; D122-I126 PolarHBondContact O-N 2.89Å
123S95.6Very high96.6Very high84 Ų8473.3 Ų73.359%0.58737%0.368SS*.Hα-helixtrans-60.6-36.2-177.256.10000113.1E121 I126 D127E121-S123 PolarHBondContact O-N 3.07Å; S123-I126 PolarHBondContact O-N 3.46Å; S123-D127 WeakPolarHBondContact O-CB 3.42Å; S123-D127 VanDerWaalsContact O-CG 3.25Å; S123-D127 PolarHBondContact O-N 3.24Å
124S96.1Very high96.4Very high76 Ų7677 Ų7753%0.53139%0.385SS..Hα-helixtrans-68.6-37.4179.480.70000111.8D122 K128D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 2.87Å; D122-S124 WeakPolarHBondContact OD1-CA 3.35Å; D122-S124 VanDerWaalsContact OD1-CB 3.29Å; D122-S124 WeakPolarHBondContact OD1-CB 3.19Å; D122-S124 PolarHBondContact OD1-N 3.43Å; D122-S124 PolarHBondContact OD1-OG 3.31Å; S124-K128 VanDerWaalsContact O-CB 3.31Å; S124-K128 WeakPolarHBondContact O-CB 3.42Å; S124-K128 PolarHBondContact O-N 3.02Å
125V95.8Very high96.1Very high25 Ų2585.5 Ų85.515%0.15242%0.422CS..Hα-helixtrans-70.2-43.6175.71780000110.6V85 L119 D122 D127 K128 L129 M136V85-V125 HydrophobicContact CB-CG1 3.65Å; V85-V125 HydrophobicContact CG1-CG1 3.81Å; V85-V125 HydrophobicContact CG2-CG1 4.13Å; L119-V125 HydrophobicContact CB-CG2 4.35Å; L119-V125 HydrophobicContact CD2-CG2 4.46Å; D122-V125 HydrophobicContact CB-CB 4.06Å; D122-V125 HydrophobicContact CB-CG2 3.92Å; D122-V125 PolarHBondContact O-N 3.41Å; D122-V125 PolarHBondContact OD1-N 3.22Å; V125-D127 PolarHBondContact O-N 3.27Å; V125-K128 PolarHBondContact O-N 3.01Å; V125-L129 HydrophobicContact CG1-CD1 4.11Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 3.08Å; V125-M136 HydrophobicContact CB-CE 4.33Å; V125-M136 HydrophobicContact CG1-CE 3.8Å
126I95.4Very high96Very high76 Ų7686.8 Ų86.839%0.3943%0.428SS..Hα-helixtrans-57.1-49.8174.7-67.6166.3000110.3D122 S123 K128 L129 A130 M136D122-I126 VanDerWaalsContact O-CG1 3.26Å; D122-I126 WeakPolarHBondContact O-CG1 3.43Å; D122-I126 PolarHBondContact O-N 2.89Å; S123-I126 PolarHBondContact O-N 3.46Å; I126-K128 VanDerWaalsContact C-N 3.35Å; I126-K128 PolarHBondContact O-N 3.48Å; I126-L129 PolarHBondContact O-N 2.73Å; I126-A130 WeakPolarHBondContact O-CB 3.28Å; I126-A130 PolarHBondContact O-N 2.92Å; I126-M136 HydrophobicContact CB-CE 4.44Å; I126-M136 HydrophobicContact CD1-CE 4.47Å; I126-M136 HydrophobicContact CG1-CE 3.43Å; I126-M136 VanDerWaalsContact CG1-CE 3.43Å; I126-M136 HydrophobicContact CG1-SD 4.47Å
127D96.6Very high96Very high92 Ų9284.7 Ų84.749%0.49242%0.419SS..Hα-helixtrans-62.7-40.8179.8-76.9-12.2000112.1S123 V125 A130 K131S123-D127 WeakPolarHBondContact O-CB 3.42Å; S123-D127 VanDerWaalsContact O-CG 3.25Å; S123-D127 PolarHBondContact O-N 3.24Å; V125-D127 PolarHBondContact O-N 3.27Å; D127-A130 PolarHBondContact O-N 2.95Å; D127-K131 WeakPolarHBondContact O-CB 3.08Å; D127-K131 VanDerWaalsContact O-CG 3.27Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 3.45Å
128K96.3Very high96Very high143 Ų14386.4 Ų86.462%0.62243%0.43SS*.Hα-helixtrans-63.4-45.7177.6-176.9179.7177.5-177.20111.5S124 V125 I126 K131 N132S124-K128 VanDerWaalsContact O-CB 3.31Å; S124-K128 WeakPolarHBondContact O-CB 3.42Å; S124-K128 PolarHBondContact O-N 3.02Å; V125-K128 PolarHBondContact O-N 3.01Å; I126-K128 VanDerWaalsContact C-N 3.35Å; I126-K128 PolarHBondContact O-N 3.48Å; K128-K131 PolarHBondContact O-N 3.22Å; K128-N132 PolarHBondContact O-N 3.35Å
129L96.1Very high96Very high12 Ų1289.2 Ų89.26%0.06344%0.438CS..Hα-helixtrans-64.3-43.8177-73.3170000111.1V85 P87 V125 I126 K131 N132 R133 Q134 M136V85-L129 HydrophobicContact CB-CD1 4.44Å; P87-L129 HydrophobicContact CG-CD2 4.16Å; V125-L129 HydrophobicContact CG1-CD1 4.11Å; V125-L129 WeakPolarHBondContact O-CG 3.35Å; V125-L129 PolarHBondContact O-N 3.08Å; I126-L129 PolarHBondContact O-N 2.73Å; L129-K131 PolarHBondContact O-N 3.09Å; L129-N132 CarbonylContact O-C 3.43Å; L129-N132 PolarHBondContact O-N 3.18Å; L129-N132 VanDerWaalsContact O-N 3.1Å; L129-R133 PolarHBondContact O-N 3.18Å; L129-R133 VanDerWaalsContact O-N 3.1Å; L129-Q134 CarbonylContact C-O 3.4Å; L129-Q134 HydrophobicContact CB-CB 4.4Å; L129-Q134 HydrophobicContact CD2-CB 3.76Å; L129-Q134 PolarHBondContact O-N 2.69Å; L129-M136 HydrophobicContact CD1-CB 4.4Å; L129-M136 HydrophobicContact CD1-CE 4.07Å; L129-M136 HydrophobicContact CD1-CG 3.33Å
130A95.4Very high96.1Very high63 Ų6393.1 Ų93.152%0.52146%0.455SS..Hα-helixtrans-60-43.7177.300000112.4I126 D127 N132 R133I126-A130 WeakPolarHBondContact O-CB 3.28Å; I126-A130 PolarHBondContact O-N 2.92Å; D127-A130 PolarHBondContact O-N 2.95Å; A130-N132 PolarHBondContact O-N 3.04Å; A130-R133 PolarHBondContact O-N 3.16Å
131K96.7Very high96.2Very high171 Ų17193.6 Ų93.674%0.74346%0.461SS*.Hα-helixtrans-58.5-36.1174.6-75.7172.4-173.4175.10112.5D127 K128 L129 R133D127-K131 WeakPolarHBondContact O-CB 3.08Å; D127-K131 VanDerWaalsContact O-CG 3.27Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 3.45Å; K128-K131 PolarHBondContact O-N 3.22Å; L129-K131 PolarHBondContact O-N 3.09Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.01Å
132N95.6Very high96.5Very high93 Ų9385 Ų8550%0.49742%0.421SS..THydrogen-bonded Turntrans-86.96.2177.3-67.3-16.4000113.7K128 L129 A130 Q134K128-N132 PolarHBondContact O-N 3.35Å; L129-N132 CarbonylContact O-C 3.43Å; L129-N132 PolarHBondContact O-N 3.18Å; L129-N132 VanDerWaalsContact O-N 3.1Å; A130-N132 PolarHBondContact O-N 3.04Å; N132-Q134 HydrophobicContact CB-CG 4.28Å; N132-Q134 PolarHBondContact O-N 3.43Å
133R95.6Very high96.6Very high241 Ų24185.9 Ų85.991%0.90942%0.423SS*.THydrogen-bonded Turntrans55.828.8-174.6-53.6178.4-179.1-123.4-0.3113.2L129 A130 K131L129-R133 PolarHBondContact O-N 3.18Å; L129-R133 VanDerWaalsContact O-N 3.1Å; A130-R133 PolarHBondContact O-N 3.16Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.01Å
134Q95.8Very high96.8Very high79 Ų7988 Ų8837%0.36942%0.421SS..  trans-103.3161.3177.4-74.2178.4-4300110.3P87 L129 N132P87-Q134 HydrophobicContact CG-CB 4.22Å; P87-Q134 HydrophobicContact CG-CG 4.49Å; L129-Q134 CarbonylContact C-O 3.4Å; L129-Q134 HydrophobicContact CB-CB 4.4Å; L129-Q134 HydrophobicContact CD2-CB 3.76Å; L129-Q134 PolarHBondContact O-N 2.69Å; N132-Q134 HydrophobicContact CB-CG 4.28Å; N132-Q134 PolarHBondContact O-N 3.43Å
135K93.1Very high96.9Very high178 Ų17884.6 Ų84.677%0.77440%0.397SS*.  trans-128.7154.2173.4-66.3-175.4-180-178.40109.3P87P87-K135 VanDerWaalsContact CG-O 3.32Å; P87-K135 WeakPolarHBondContact CG-O 3.19Å
136M95.8Very high97.1Very high31 Ų3183.6 Ų83.615%0.15339%0.392CS..PPolyproline II helixtrans-63.7151.4170.9-61.1171.7171.100110.3V84 V85 L119 R120 V125 I126 L129 T138V84-M136 WeakPolarHBondContact O-CA 3.41Å; V85-M136 HydrophobicContact CG1-CE 3.96Å; V85-M136 HydrophobicContact CG1-CG 4.13Å; V85-M136 HydrophobicContact CG1-SD 4.28Å; L119-M136 VanDerWaalsContact O-CE 3.27Å; L119-M136 WeakPolarHBondContact O-CE 3.13Å; R120-M136 HydrophobicContact CB-SD 4.3Å; R120-M136 HydrophobicContact CG-SD 4.44Å; R120-M136 WeakPolarHBondContact O-CE 3.4Å; V125-M136 HydrophobicContact CB-CE 4.33Å; V125-M136 HydrophobicContact CG1-CE 3.8Å; I126-M136 HydrophobicContact CB-CE 4.44Å; I126-M136 HydrophobicContact CD1-CE 4.47Å; I126-M136 HydrophobicContact CG1-CE 3.43Å; I126-M136 VanDerWaalsContact CG1-CE 3.43Å; I126-M136 HydrophobicContact CG1-SD 4.47Å; L129-M136 HydrophobicContact CD1-CB 4.4Å; L129-M136 HydrophobicContact CD1-CE 4.07Å; L129-M136 HydrophobicContact CD1-CG 3.33Å; M136-T138 PolarHBondContact O-N 2.67Å
137I98.3Very high97.2Very high3 Ų386.5 Ų86.52%0.01540%0.401CS..PPolyproline II helixtrans-73.5123.8175.1-52.5-54.6000108.5F82 V84 P87 F90 R120 M141F82-I137 HydrophobicContact CE2-CB 4.01Å; F82-I137 HydrophobicContact CE2-CG1 4.05Å; F82-I137 HydrophobicContact CE2-CG2 3.81Å; F82-I137 HydrophobicContact CZ-CG2 4.1Å; V84-I137 PolarHBondContact O-N 2.78Å; P87-I137 HydrophobicContact CB-CD1 4.34Å; F90-I137 HydrophobicContact CB-CD1 3.81Å; F90-I137 HydrophobicContact CB-CG1 3.83Å; F90-I137 HydrophobicContact CD1-CD1 3.71Å; F90-I137 HydrophobicContact CD1-CG1 4.41Å; F90-I137 HydrophobicContact CD2-CD1 4.42Å; F90-I137 HydrophobicContact CD2-CG1 4.26Å; F90-I137 HydrophobicContact CD2-CG2 3.8Å; F90-I137 HydrophobicContact CE1-CD1 4.37Å; F90-I137 HydrophobicContact CE2-CG2 3.79Å; F90-I137 HydrophobicContact CG-CD1 3.73Å; F90-I137 HydrophobicContact CG-CG1 3.92Å; F90-I137 HydrophobicContact CG-CG2 4.19Å; F90-I137 HydrophobicContact CZ-CG2 4.2Å; R120-I137 PolarHBondContact NH1-O 2.82Å; R120-I137 PolarHBondContact NH2-O 3.49Å; I137-M141 HydrophobicContact CD1-CE 3.8Å; I137-M141 HydrophobicContact CG2-CB 3.84Å; I137-M141 HydrophobicContact CG2-CE 4.48Å
138T98.1Very high97.3Very high55 Ų5586.5 Ų86.534%0.33740%0.398SS..PPolyproline II helixtrans-81.5164.3175.579.70000110.9M136 E140 M141 G142M136-T138 PolarHBondContact O-N 2.67Å; T138-E140 WeakPolarHBondContact CB-OE2 3.48Å; T138-E140 PolarHBondContact O-N 2.91Å; T138-E140 PolarHBondContact OG1-N 3.01Å; T138-E140 PolarHBondContact OG1-OE2 2.86Å; T138-M141 HydrophobicContact CG2-SD 4.23Å; T138-M141 PolarHBondContact O-N 2.69Å; T138-M141 PolarHBondContact OG1-N 3.5Å; T138-G142 PolarHBondContact O-N 3.47Å
139Y98.5Very high97.4Very high107 Ų10781.2 Ų81.242%0.4238%0.377SS..Hα-helixtrans-59.1-40177.2-176.1-87.7000111.5M141 G142 E143 Y154 E156Y139-M141 VanDerWaalsContact C-N 3.32Å; Y139-M141 PolarHBondContact O-N 3.01Å; Y139-G142 PolarHBondContact O-N 3.26Å; Y139-E143 HydrophobicContact CE1-CB 4.34Å; Y139-E143 WeakPolarHBondContact O-CB 3.24Å; Y139-E143 PolarHBondContact O-N 3.16Å; Y139-Y154 HydrophobicContact CD2-CD1 4.1Å; Y139-Y154 AromaticContact CD2-CE1 3.68Å; Y139-Y154 HydrophobicContact CD2-CE1 3.68Å; Y139-Y154 HydrophobicContact CE1-CD1 4.48Å; Y139-Y154 AromaticContact CE2-CD1 3.85Å; Y139-Y154 HydrophobicContact CE2-CD1 3.85Å; Y139-Y154 AromaticContact CE2-CE1 3.88Å; Y139-Y154 HydrophobicContact CE2-CE1 3.88Å; Y139-Y154 HydrophobicContact CG-CE1 4.12Å; Y139-Y154 WeakPolarHBondContact O-CE1 3.49Å; Y139-E156 WeakPolarHBondContact CA-OE1 3.47Å; Y139-E156 HydrophobicContact CD2-CG 4.11Å
140E98.6Very high97.4Very high126 Ų12687.1 Ų87.159%0.58940%0.402SS*.Hα-helixtrans-65-35.4180-56.373.7-158.800112T138 K144T138-E140 WeakPolarHBondContact CB-OE2 3.48Å; T138-E140 PolarHBondContact O-N 2.91Å; T138-E140 PolarHBondContact OG1-N 3.01Å; T138-E140 PolarHBondContact OG1-OE2 2.86Å; E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 3.42Å
141M98.7Very high97.5Very high75 Ų7584.9 Ų84.937%0.36938%0.383SS..Hα-helixtrans-65.1-45.6174.5-67.6173.165.300111.1F90 I137 T138 Y139 K144 L145F90-M141 HydrophobicContact CE1-CE 4.3Å; F90-M141 HydrophobicContact CZ-CB 4.22Å; I137-M141 HydrophobicContact CD1-CE 3.8Å; I137-M141 HydrophobicContact CG2-CB 3.84Å; I137-M141 HydrophobicContact CG2-CE 4.48Å; T138-M141 HydrophobicContact CG2-SD 4.23Å; T138-M141 PolarHBondContact O-N 2.69Å; T138-M141 PolarHBondContact OG1-N 3.5Å; Y139-M141 VanDerWaalsContact C-N 3.32Å; Y139-M141 PolarHBondContact O-N 3.01Å; M141-K144 PolarHBondContact O-N 2.91Å; M141-L145 PolarHBondContact O-N 2.97Å
142G98.8Very high97.6Very high0 Ų079.6 Ų79.60%037%0.365CS..Hα-helixtrans-63-44.1176.400000112.9T138 Y139 K144 L145 A146T138-G142 PolarHBondContact O-N 3.47Å; Y139-G142 PolarHBondContact O-N 3.26Å; G142-K144 PolarHBondContact O-N 3.12Å; G142-L145 PolarHBondContact O-N 3.31Å; G142-A146 WeakPolarHBondContact O-CB 3.37Å; G142-A146 PolarHBondContact O-N 3.31Å
143E98.7Very high97.7Very high73 Ų7379.1 Ų79.134%0.34136%0.359SS..Hα-helixtrans-63.9-42.1176.8-165.5-167.5-123.800111.7Y139 A146 K147 Y154Y139-E143 HydrophobicContact CE1-CB 4.34Å; Y139-E143 WeakPolarHBondContact O-CB 3.24Å; Y139-E143 PolarHBondContact O-N 3.16Å; E143-A146 PolarHBondContact O-N 3.49Å; E143-K147 HydrophobicContact CG-CD 4.41Å; E143-K147 WeakPolarHBondContact O-CG 3.45Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 IonicContact OE1-NZ 3.13Å; E143-K147 IonicContact OE2-NZ 2.85Å; E143-K147 PolarHBondContact OE2-NZ 2.69Å; E143-Y154 HydrophobicContact CB-CD1 4.2Å
144K98.8Very high97.8Very high129 Ų12968 Ų6856%0.56132%0.317SS*.Hα-helixtrans-60-47.5175.1179.3177.1173.2-178.10111E140 M141 G142 K147 E148E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 3.42Å; M141-K144 PolarHBondContact O-N 2.91Å; G142-K144 PolarHBondContact O-N 3.12Å; K144-K147 PolarHBondContact O-N 2.88Å; K144-E148 WeakPolarHBondContact CE-OE1 3.38Å; K144-E148 WeakPolarHBondContact CG-OE1 3.49Å; K144-E148 WeakPolarHBondContact O-CG 3.49Å; K144-E148 PolarHBondContact O-N 3.34Å
145L98.8Very high98Very high4 Ų464.4 Ų64.42%0.02130%0.3CS..Hα-helixtrans-64.3-42179-173.964.9000111.9F90 V93 R94 L112 M141 G142 K147 E148 L149F90-L145 HydrophobicContact CD2-CD2 3.82Å; F90-L145 HydrophobicContact CE1-CD2 4.18Å; F90-L145 HydrophobicContact CE2-CB 3.88Å; F90-L145 HydrophobicContact CE2-CD2 3.34Å; F90-L145 HydrophobicContact CE2-CG 4.23Å; F90-L145 HydrophobicContact CG-CD2 4.44Å; F90-L145 HydrophobicContact CZ-CB 3.72Å; F90-L145 HydrophobicContact CZ-CD2 3.56Å; F90-L145 HydrophobicContact CZ-CG 4.18Å; V93-L145 HydrophobicContact CB-CD2 3.98Å; V93-L145 HydrophobicContact CG1-CD2 3.92Å; R94-L145 HydrophobicContact CB-CD1 4.38Å; L112-L145 HydrophobicContact CD2-CB 4.11Å; L112-L145 HydrophobicContact CD2-CD2 4.06Å; L112-L145 HydrophobicContact CD2-CG 4.14Å; M141-L145 PolarHBondContact O-N 2.97Å; G142-L145 PolarHBondContact O-N 3.31Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 2.7Å; L145-E148 PolarHBondContact O-N 3.4Å; L145-L149 HydrophobicContact CD1-CD1 3.71Å; L145-L149 HydrophobicContact CD1-CG 3.89Å; L145-L149 HydrophobicContact CD2-CD1 4.23Å; L145-L149 HydrophobicContact CG-CD1 3.72Å; L145-L149 HydrophobicContact CG-CG 4.18Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 3.45Å
146A98.8Very high98.3Very high5 Ų557.3 Ų57.34%0.04127%0.27CS..Hα-helixtrans-58.2-43.8175.700000112.1L112 G142 E143 K150 A151L112-A146 HydrophobicContact CB-CB 4.19Å; L112-A146 HydrophobicContact CD2-CB 4.05Å; G142-A146 WeakPolarHBondContact O-CB 3.37Å; G142-A146 PolarHBondContact O-N 3.31Å; E143-A146 PolarHBondContact O-N 3.49Å; A146-K150 PolarHBondContact O-N 2.92Å; A146-A151 HydrophobicContact CB-CB 3.93Å; A146-A151 PolarHBondContact O-N 2.57Å
147K98.4Very high98.4Very high136 Ų13655.9 Ų55.959%0.59126%0.263SS*.Hα-helixtrans-63.5-46175-73167.8178.3165.40111.8E143 K144 L145 L149 K150E143-K147 HydrophobicContact CG-CD 4.41Å; E143-K147 WeakPolarHBondContact O-CG 3.45Å; E143-K147 PolarHBondContact O-N 3.42Å; E143-K147 IonicContact OE1-NZ 3.13Å; E143-K147 IonicContact OE2-NZ 2.85Å; E143-K147 PolarHBondContact OE2-NZ 2.69Å; K144-K147 PolarHBondContact O-N 2.88Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 2.7Å; K147-L149 VanDerWaalsContact C-N 3.34Å; K147-L149 PolarHBondContact O-N 3.05Å; K147-K150 PolarHBondContact O-N 2.94Å
148E98.4Very high98.4Very high92 Ų9255.8 Ų55.843%0.4326%0.262SS..Hα-helixtrans-60.6-42.3178.9-75174.5-176.400112.5R94 K144 L145 K150R94-E148 IonicContact CZ-OE2 2.72Å; R94-E148 IonicContact NH2-OE2 2.76Å; R94-E148 PolarHBondContact NH2-OE2 3.4Å; K144-E148 WeakPolarHBondContact CE-OE1 3.38Å; K144-E148 WeakPolarHBondContact CG-OE1 3.49Å; K144-E148 WeakPolarHBondContact O-CG 3.49Å; K144-E148 PolarHBondContact O-N 3.34Å; L145-E148 PolarHBondContact O-N 3.4Å; E148-K150 VanDerWaalsContact C-N 3.31Å
149L98Very high98.4Very high33 Ų3353.7 Ų53.717%0.17325%0.251CS..Hα-helixtrans-86.8-0.9-178.6-60.1-177.7000113.4V93 R94 V98 F110 L145 K147 A151V93-L149 HydrophobicContact CG1-CD1 3.63Å; R94-L149 HydrophobicContact CB-CD1 4.4Å; R94-L149 HydrophobicContact CB-CD2 4.46Å; R94-L149 HydrophobicContact CG-CD2 4.2Å; V98-L149 HydrophobicContact CB-CD1 4.25Å; V98-L149 HydrophobicContact CG1-CB 4.42Å; V98-L149 HydrophobicContact CG2-CD1 3.81Å; F110-L149 HydrophobicContact CZ-CB 4.05Å; F110-L149 VanDerWaalsContact CZ-O 3.28Å; F110-L149 WeakPolarHBondContact CZ-O 3.26Å; L145-L149 HydrophobicContact CD1-CD1 3.71Å; L145-L149 HydrophobicContact CD1-CG 3.89Å; L145-L149 HydrophobicContact CD2-CD1 4.23Å; L145-L149 HydrophobicContact CG-CD1 3.72Å; L145-L149 HydrophobicContact CG-CG 4.18Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 3.45Å; K147-L149 VanDerWaalsContact C-N 3.34Å; K147-L149 PolarHBondContact O-N 3.05Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.86Å
150K96.3Very high98.3Very high136 Ų13653 Ų5359%0.59125%0.254SS*.THydrogen-bonded Turntrans59.735.4-177.6-48-178.5-178.9-170.80113.6A146 K147 E148 E183A146-K150 PolarHBondContact O-N 2.92Å; K147-K150 PolarHBondContact O-N 2.94Å; E148-K150 VanDerWaalsContact C-N 3.31Å; K150-E183 IonicContact NZ-OE1 3.25Å; K150-E183 PolarHBondContact NZ-OE1 3.01Å; K150-E183 IonicContact NZ-OE2 2.63Å; K150-E183 PolarHBondContact NZ-OE2 3.44Å
151A98.4Very high98.2Very high15 Ų1550.9 Ų50.912%0.12425%0.25CC..  trans-61.5148.5165.900000109.5F110 L112 A146 L149 K153F110-A151 HydrophobicContact CD2-CB 3.91Å; F110-A151 HydrophobicContact CE2-CB 3.46Å; F110-A151 VanDerWaalsContact CE2-CB 3.46Å; F110-A151 HydrophobicContact CZ-CB 3.86Å; F110-A151 CarbonylContact O-C 3.57Å; F110-A151 WeakPolarHBondContact O-CA 3.02Å; L112-A151 HydrophobicContact CB-CB 4.26Å; A146-A151 HydrophobicContact CB-CB 3.93Å; A146-A151 PolarHBondContact O-N 2.57Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.86Å; A151-K153 PolarHBondContact O-N 3.3Å
152V97.9Very high98.2Very high60 Ų6051 Ų5136%0.36425%0.249SC..SBendtrans-61.3-39.4176176.40000110.6P109 F110 L111 A175 P180P109-V152 HydrophobicContact CB-CG2 3.62Å; F110-V152 PolarHBondContact O-N 3.21Å; L111-V152 HydrophobicContact CD2-CB 4.29Å; V152-A175 HydrophobicContact CB-CB 4.14Å; V152-A175 HydrophobicContact CG1-CB 3.89Å; V152-A175 HydrophobicContact CG2-CB 4.09Å; V152-P180 HydrophobicContact CG2-CG 4.18Å
153K98Very high98.2Very high84 Ų8457.9 Ų57.937%0.36528%0.279SS..  trans-158.8157.7178.5-151171-174.4166.60111.3L111 L112 A151 V155 E171L111-K153 HydrophobicContact CD2-CB 3.43Å; L111-K153 VanDerWaalsContact CD2-CB 3.43Å; L112-K153 PolarHBondContact N-O 3.18Å; A151-K153 PolarHBondContact O-N 3.3Å; K153-V155 HydrophobicContact CD-CG1 4.44Å; K153-E171 HydrophobicContact CD-CB 4.47Å; K153-E171 VanDerWaalsContact CD-CD 3.49Å; K153-E171 HydrophobicContact CD-CG 3.94Å; K153-E171 WeakPolarHBondContact CD-OE2 3.45Å; K153-E171 IonicContact NZ-OE1 2.69Å; K153-E171 PolarHBondContact NZ-OE1 3.31Å; K153-E171 IonicContact NZ-OE2 3.79Å; K153-E171 PolarHBondContact NZ-OE2 3.31Å
154Y98.8Very high98.2Very high7 Ų755.8 Ų55.83%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-99.9133.9162.3179.8-123.9000109.7F82 L112 Y139 E143 E156F82-Y154 AromaticContact CE1-CE2 3.74Å; F82-Y154 HydrophobicContact CE1-CE2 3.74Å; F82-Y154 AromaticContact CZ-CE2 3.78Å; F82-Y154 HydrophobicContact CZ-CE2 3.78Å; F82-Y154 WeakPolarHBondContact CZ-OH 3.37Å; L112-Y154 HydrophobicContact CB-CD2 4.06Å; L112-Y154 HydrophobicContact CD2-CD2 3.99Å; L112-Y154 HydrophobicContact CD2-CE2 4.4Å; L112-Y154 HydrophobicContact CG-CD2 3.85Å; L112-Y154 HydrophobicContact CG-CE2 4.23Å; L112-Y154 WeakPolarHBondContact O-CA 3.47Å; L112-Y154 WeakPolarHBondContact O-CD2 3.32Å; Y139-Y154 HydrophobicContact CD2-CD1 4.1Å; Y139-Y154 AromaticContact CD2-CE1 3.68Å; Y139-Y154 HydrophobicContact CD2-CE1 3.68Å; Y139-Y154 HydrophobicContact CE1-CD1 4.48Å; Y139-Y154 AromaticContact CE2-CD1 3.85Å; Y139-Y154 HydrophobicContact CE2-CD1 3.85Å; Y139-Y154 AromaticContact CE2-CE1 3.88Å; Y139-Y154 HydrophobicContact CE2-CE1 3.88Å; Y139-Y154 HydrophobicContact CG-CE1 4.12Å; Y139-Y154 WeakPolarHBondContact O-CE1 3.49Å; E143-Y154 HydrophobicContact CB-CD1 4.2Å; Y154-E156 HydrophobicContact CE1-CG 3.7Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.14Å; Y154-E156 HydrophobicContact CE2-CG 4.34Å; Y154-E156 VanDerWaalsContact CZ-CG 3.47Å; Y154-E156 VanDerWaalsContact OH-CD 3.24Å; Y154-E156 WeakPolarHBondContact OH-CG 3.09Å; Y154-E156 PolarHBondContact OH-OE1 3.24Å
155V98.8Very high98.1Very high3 Ų350 Ų502%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-133.8149.7176.2-67.60000110.3L112 A113 G114 K153 V168 E171L112-V155 PolarHBondContact O-N 3.02Å; A113-V155 CarbonylContact C-O 3.59Å; A113-V155 WeakPolarHBondContact CA-O 3.34Å; A113-V155 HydrophobicContact CB-CG2 4.08Å; G114-V155 PolarHBondContact N-O 3.12Å; K153-V155 HydrophobicContact CD-CG1 4.44Å; V155-V168 HydrophobicContact CB-CG2 4.26Å; V155-V168 HydrophobicContact CG2-CB 4.3Å; V155-V168 HydrophobicContact CG2-CG1 4.21Å; V155-V168 HydrophobicContact CG2-CG2 3.82Å; V155-E171 HydrophobicContact CG1-CB 4.33Å; V155-E171 HydrophobicContact CG1-CG 4.06Å
156E98.8Very high98Very high30 Ų3056 Ų5614%0.1428%0.278CS..EExtended strand (participates in β ladder)trans-122.5142.5175.7-78.9-165.2-168.200111.3G114 I117 R120 Y139 Y154G114-E156 CarbonylContact O-C 3.48Å; G114-E156 VanDerWaalsContact O-CA 3.24Å; G114-E156 WeakPolarHBondContact O-CA 2.95Å; I117-E156 HydrophobicContact CG2-CB 3.88Å; I117-E156 HydrophobicContact CG2-CG 4.24Å; I117-E156 WeakPolarHBondContact CG2-OE2 3.43Å; R120-E156 IonicContact CZ-OE2 3.54Å; R120-E156 IonicContact NE-OE2 3.38Å; R120-E156 PolarHBondContact NE-OE2 2.96Å; R120-E156 IonicContact NH2-OE1 2.82Å; R120-E156 PolarHBondContact NH2-OE1 2.6Å; R120-E156 IonicContact NH2-OE2 2.9Å; R120-E156 PolarHBondContact NH2-OE2 3.38Å; Y139-E156 WeakPolarHBondContact CA-OE1 3.47Å; Y139-E156 HydrophobicContact CD2-CG 4.11Å; Y154-E156 HydrophobicContact CE1-CG 3.7Å; Y154-E156 WeakPolarHBondContact CE1-OE1 3.14Å; Y154-E156 HydrophobicContact CE2-CG 4.34Å; Y154-E156 VanDerWaalsContact CZ-CG 3.47Å; Y154-E156 VanDerWaalsContact OH-CD 3.24Å; Y154-E156 WeakPolarHBondContact OH-CG 3.09Å; Y154-E156 PolarHBondContact OH-OE1 3.24Å
157C98.8Very high98Very high1 Ų159 Ų591%0.00729%0.294CS..  trans-153.9164.9177.968.60000114.5L19 G114 T115 Q116 I117 K163 V168L19-C157 WeakPolarHBondContact CD1-SG 3.47Å; G114-C157 PolarHBondContact O-N 2.9Å; T115-C157 CarbonylContact C-O 3.55Å; T115-C157 WeakPolarHBondContact CA-O 3.37Å; Q116-C157 PolarHBondContact N-O 3.48Å; Q116-C157 VanDerWaalsContact N-O 3.12Å; I117-C157 PolarHBondContact N-O 3.23Å; C157-K163 CarbonylContact C-O 3.48Å; C157-K163 WeakPolarHBondContact CA-O 3.46Å; C157-K163 WeakPolarHBondContact CB-O 3.25Å; C157-V168 HydrophobicContact CB-CG2 3.7Å
158S98.6Very high98Very high0 Ų052.5 Ų52.50%027%0.266CS..  trans-122.6121.1167.6168.50000108.1D118 L160 T161 Q162 K163D118-S158 WeakPolarHBondContact CB-OG 3.43Å; D118-S158 WeakPolarHBondContact OD1-CB 3.5Å; D118-S158 PolarHBondContact OD1-OG 3.04Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 3Å; S158-T161 WeakPolarHBondContact CB-OG1 3.39Å; S158-T161 PolarHBondContact OG-N 3.07Å; S158-T161 PolarHBondContact OG-OG1 2.86Å; S158-Q162 CarbonylContact O-C 3.55Å; S158-Q162 WeakPolarHBondContact O-CA 3.15Å; S158-Q162 PolarHBondContact O-N 3.39Å; S158-K163 PolarHBondContact N-O 2.98Å
159A98Very high98Very high11 Ų1148.1 Ų48.19%0.09125%0.245CC..THydrogen-bonded Turntrans-69.2-28.9172.200000111.9C18 S22 F28C18-A159 HydrophobicContact CB-CB 3.9Å; S22-A159 WeakPolarHBondContact CB-O 3.41Å; S22-A159 PolarHBondContact OG-O 3.01Å; F28-A159 HydrophobicContact CD2-CB 4.07Å; F28-A159 HydrophobicContact CE2-CB 4.03Å
160L96.4Very high97.9Very high92 Ų9249 Ų4948%0.48225%0.25SS..THydrogen-bonded Turntrans-71.1-51.6-178.9177.162.2000111.9F28 S158F28-L160 HydrophobicContact CB-CD1 4.1Å; F28-L160 HydrophobicContact CD1-CD1 3.82Å; F28-L160 VanDerWaalsContact CD2-CA 3.46Å; F28-L160 HydrophobicContact CD2-CB 3.94Å; F28-L160 HydrophobicContact CD2-CD1 4.21Å; F28-L160 HydrophobicContact CE1-CD1 4.28Å; F28-L160 HydrophobicContact CE2-CB 3.99Å; F28-L160 HydrophobicContact CG-CB 4.37Å; F28-L160 HydrophobicContact CG-CD1 3.78Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 3Å
161T97.1Very high98Very high82 Ų8244 Ų4450%0.50323%0.229SC..THydrogen-bonded Turntrans-92-6.6-178.564.40000113D118 S158 K163D118-T161 HydrophobicContact CB-CG2 4.05Å; S158-T161 WeakPolarHBondContact CB-OG1 3.39Å; S158-T161 PolarHBondContact OG-N 3.07Å; S158-T161 PolarHBondContact OG-OG1 2.86Å; T161-K163 PolarHBondContact O-N 3.2Å; T161-K163 WeakPolarHBondContact OG1-CB 3.41Å; T161-K163 PolarHBondContact OG1-N 3.22Å
162Q97.6Very high97.9Very high77 Ų7743.3 Ų43.336%0.3622%0.223SC..  trans60.37-172.7-56.9-176.7-24.200115S22 S158 G164 L165S22-Q162 PolarHBondContact OG-NE2 2.84Å; S158-Q162 CarbonylContact O-C 3.55Å; S158-Q162 WeakPolarHBondContact O-CA 3.15Å; S158-Q162 PolarHBondContact O-N 3.39Å; Q162-G164 PolarHBondContact O-N 2.58Å; Q162-L165 HydrophobicContact CB-CB 4.31Å; Q162-L165 HydrophobicContact CB-CD2 4.08Å; Q162-L165 HydrophobicContact CG-CD2 3.86Å; Q162-L165 VanDerWaalsContact O-CB 3.28Å; Q162-L165 WeakPolarHBondContact O-CB 3.5Å; Q162-L165 PolarHBondContact O-N 2.82Å; Q162-L165 VanDerWaalsContact O-N 3.09Å
163K98.5Very high97.9Very high145 Ų14541 Ų4163%0.6321%0.208SC*.THydrogen-bonded Turntrans-57.8124.6173.4-176.5177177-179.90109.5I117 C157 S158 T161 L165I117-K163 HydrophobicContact CD1-CB 4.3Å; I117-K163 HydrophobicContact CD1-CD 3.86Å; I117-K163 HydrophobicContact CD1-CG 3.98Å; C157-K163 CarbonylContact C-O 3.48Å; C157-K163 WeakPolarHBondContact CA-O 3.46Å; C157-K163 WeakPolarHBondContact CB-O 3.25Å; S158-K163 PolarHBondContact N-O 2.98Å; T161-K163 PolarHBondContact O-N 3.2Å; T161-K163 WeakPolarHBondContact OG1-CB 3.41Å; T161-K163 PolarHBondContact OG1-N 3.22Å; K163-L165 PolarHBondContact O-N 3.21Å; K163-L165 VanDerWaalsContact O-N 3.16Å
164G98.4Very high97.8Very high30 Ų3040.8 Ų40.831%0.30921%0.211SC..THydrogen-bonded Turntrans72.4-5.518000000115.4Q162 K166 N167 V168Q162-G164 PolarHBondContact O-N 2.58Å; G164-K166 PolarHBondContact O-N 3.4Å; G164-N167 WeakPolarHBondContact O-CB 3.32Å; G164-N167 PolarHBondContact O-N 3.47Å; G164-V168 PolarHBondContact O-N 3.33Å
165L98.3Very high97.7Very high6 Ų640.6 Ų40.63%0.03121%0.211CC..Hα-helixtrans-60.2-50.8-171.1-17963000112.9L19 S22 Y23 Q162 K163 N167 V168 F169L19-L165 HydrophobicContact CD1-CD1 3.31Å; L19-L165 HydrophobicContact CG-CD1 3.91Å; S22-L165 WeakPolarHBondContact OG-CD2 3.21Å; Y23-L165 HydrophobicContact CD2-CG 4.49Å; Q162-L165 HydrophobicContact CB-CB 4.31Å; Q162-L165 HydrophobicContact CB-CD2 4.08Å; Q162-L165 HydrophobicContact CG-CD2 3.86Å; Q162-L165 VanDerWaalsContact O-CB 3.28Å; Q162-L165 WeakPolarHBondContact O-CB 3.5Å; Q162-L165 PolarHBondContact O-N 2.82Å; Q162-L165 VanDerWaalsContact O-N 3.09Å; K163-L165 PolarHBondContact O-N 3.21Å; K163-L165 VanDerWaalsContact O-N 3.16Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.38Å; L165-V168 WeakPolarHBondContact O-CB 3.38Å; L165-V168 PolarHBondContact O-N 3.39Å; L165-F169 HydrophobicContact CD1-CE2 3.92Å; L165-F169 WeakPolarHBondContact O-CD2 3.29Å
166K96.1Very high97.5Very high130 Ų13041.4 Ų41.457%0.56522%0.218SC*.Hα-helixtrans-59.6-40.8177.9-170.9-171.8-179.4-57.70111.7G164 V168 F169 D170G164-K166 PolarHBondContact O-N 3.4Å; K166-V168 VanDerWaalsContact C-N 3.27Å; K166-V168 PolarHBondContact O-N 3.2Å; K166-F169 PolarHBondContact O-N 3.2Å; K166-F169 VanDerWaalsContact O-N 3.15Å; K166-D170 IonicContact NZ-OD1 3.75Å; K166-D170 PolarHBondContact NZ-OD1 2.87Å; K166-D170 IonicContact NZ-OD2 2.72Å; K166-D170 PolarHBondContact NZ-OD2 3.34Å; K166-D170 PolarHBondContact O-N 2.85Å
167N98.1Very high97.3Very high69 Ų6943 Ų4337%0.36923%0.227SC..Hα-helixtrans-61.2-35.2-179.8-174.681.3000112.1G164 L165 F169 D170 E171G164-N167 WeakPolarHBondContact O-CB 3.32Å; G164-N167 PolarHBondContact O-N 3.47Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-N167 PolarHBondContact O-N 3.38Å; N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 PolarHBondContact O-N 3.33Å; N167-D170 PolarHBondContact O-N 3.46Å; N167-E171 WeakPolarHBondContact O-CB 3.42Å; N167-E171 WeakPolarHBondContact O-CG 3.41Å; N167-E171 PolarHBondContact O-N 3.04Å
168V98.8Very high96.7Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-56.6-46.7175.4176.20000111.5L19 L79 V155 C157 G164 L165 K166 A172L19-V168 HydrophobicContact CD2-CG1 4.34Å; L79-V168 HydrophobicContact CD1-CG1 3.72Å; L79-V168 HydrophobicContact CD2-CG1 3.57Å; L79-V168 HydrophobicContact CG-CG1 4.31Å; V155-V168 HydrophobicContact CB-CG2 4.26Å; V155-V168 HydrophobicContact CG2-CB 4.3Å; V155-V168 HydrophobicContact CG2-CG1 4.21Å; V155-V168 HydrophobicContact CG2-CG2 3.82Å; C157-V168 HydrophobicContact CB-CG2 3.7Å; G164-V168 PolarHBondContact O-N 3.33Å; L165-V168 WeakPolarHBondContact O-CB 3.38Å; L165-V168 PolarHBondContact O-N 3.39Å; K166-V168 VanDerWaalsContact C-N 3.27Å; K166-V168 PolarHBondContact O-N 3.2Å; V168-A172 WeakPolarHBondContact O-CB 3.36Å; V168-A172 PolarHBondContact O-N 2.93Å; V168-A172 VanDerWaalsContact O-N 3.15Å
169F97.9Very high95.7Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-81.1-33.4-177.3-64-79000112.9L19 L20 Y23 L53 L55 L165 K166 N167 E171 A172 I173L19-F169 HydrophobicContact CD2-CE2 4.36Å; L19-F169 HydrophobicContact CD2-CZ 3.94Å; L19-F169 HydrophobicContact CG-CE2 4.08Å; L19-F169 HydrophobicContact CG-CZ 3.95Å; L20-F169 HydrophobicContact CD2-CE1 3.82Å; L20-F169 HydrophobicContact CD2-CZ 3.8Å; Y23-F169 HydrophobicContact CD1-CD1 4.07Å; Y23-F169 AromaticContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CD2 3.64Å; Y23-F169 HydrophobicContact CD1-CE1 4.12Å; Y23-F169 AromaticContact CD1-CE2 3.71Å; Y23-F169 HydrophobicContact CD1-CE2 3.71Å; Y23-F169 AromaticContact CD1-CG 3.82Å; Y23-F169 HydrophobicContact CD1-CG 3.82Å; Y23-F169 AromaticContact CD1-CZ 3.93Å; Y23-F169 HydrophobicContact CD1-CZ 3.93Å; Y23-F169 HydrophobicContact CD2-CB 4.48Å; Y23-F169 AromaticContact CD2-CD2 3.35Å; Y23-F169 HydrophobicContact CD2-CD2 3.35Å; Y23-F169 AromaticContact CD2-CE2 3.78Å; Y23-F169 HydrophobicContact CD2-CE2 3.78Å; Y23-F169 HydrophobicContact CD2-CG 4.07Å; Y23-F169 HydrophobicContact CE1-CB 4Å; Y23-F169 HydrophobicContact CE1-CD1 4Å; Y23-F169 AromaticContact CE1-CD2 3.9Å; Y23-F169 HydrophobicContact CE1-CD2 3.9Å; Y23-F169 HydrophobicContact CE1-CE1 4.48Å; Y23-F169 HydrophobicContact CE1-CE2 4.4Å; Y23-F169 AromaticContact CE1-CG 3.67Å; Y23-F169 HydrophobicContact CE1-CG 3.67Å; Y23-F169 HydrophobicContact CE2-CB 3.88Å; Y23-F169 AromaticContact CE2-CD2 3.64Å; Y23-F169 HydrophobicContact CE2-CD2 3.64Å; Y23-F169 HydrophobicContact CE2-CE2 4.48Å; Y23-F169 AromaticContact CE2-CG 3.94Å; Y23-F169 HydrophobicContact CE2-CG 3.94Å; Y23-F169 AromaticContact CG-CD2 3.34Å; Y23-F169 HydrophobicContact CG-CD2 3.34Å; Y23-F169 AromaticContact CG-CE2 3.34Å; Y23-F169 HydrophobicContact CG-CE2 3.34Å; Y23-F169 HydrophobicContact CG-CG 4.01Å; Y23-F169 AromaticContact CG-CZ 3.98Å; Y23-F169 HydrophobicContact CG-CZ 3.98Å; Y23-F169 AromaticContact CZ-CD2 3.91Å; Y23-F169 AromaticContact CZ-CG 3.74Å; L53-F169 HydrophobicContact CD2-CB 4.37Å; L53-F169 HydrophobicContact CD2-CD1 4.08Å; L55-F169 HydrophobicContact CD1-CE1 4.27Å; L55-F169 HydrophobicContact CD2-CD1 3.87Å; L55-F169 HydrophobicContact CD2-CE1 3.6Å; L165-F169 HydrophobicContact CD1-CE2 3.92Å; L165-F169 WeakPolarHBondContact O-CD2 3.29Å; K166-F169 PolarHBondContact O-N 3.2Å; K166-F169 VanDerWaalsContact O-N 3.15Å; N167-F169 VanDerWaalsContact C-N 3.31Å; N167-F169 PolarHBondContact O-N 3.33Å; F169-E171 VanDerWaalsContact C-N 3.33Å; F169-E171 PolarHBondContact O-N 2.76Å; F169-A172 PolarHBondContact O-N 3.2Å; F169-I173 WeakPolarHBondContact O-CB 3.27Å; F169-I173 WeakPolarHBondContact O-CD1 3.16Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 2.99Å
170D96.2Very high94.5Very high51 Ų5156.8 Ų56.827%0.27330%0.303SS..Hα-helixtrans-58.7-46.8172.3-69.5-16.5000110.6K166 N167 A172 I173 L174K166-D170 IonicContact NZ-OD1 3.75Å; K166-D170 PolarHBondContact NZ-OD1 2.87Å; K166-D170 IonicContact NZ-OD2 2.72Å; K166-D170 PolarHBondContact NZ-OD2 3.34Å; K166-D170 PolarHBondContact O-N 2.85Å; N167-D170 PolarHBondContact O-N 3.46Å; D170-A172 VanDerWaalsContact C-N 3.32Å; D170-A172 PolarHBondContact O-N 2.71Å; D170-I173 PolarHBondContact O-N 3.49Å; D170-L174 VanDerWaalsContact O-CG 3.3Å; D170-L174 WeakPolarHBondContact O-CG 3.37Å; D170-L174 PolarHBondContact O-N 2.57Å
171E97.8Very high93.3Very high31 Ų3157.9 Ų57.915%0.14532%0.316CS..Hα-helixtrans-68-31.8177.3-62.9-67.4164.700112.1L111 K153 V155 N167 F169 L174 A175L111-E171 HydrophobicContact CD1-CB 4.1Å; L111-E171 HydrophobicContact CD2-CB 4.18Å; K153-E171 HydrophobicContact CD-CB 4.47Å; K153-E171 VanDerWaalsContact CD-CD 3.49Å; K153-E171 HydrophobicContact CD-CG 3.94Å; K153-E171 WeakPolarHBondContact CD-OE2 3.45Å; K153-E171 IonicContact NZ-OE1 2.69Å; K153-E171 PolarHBondContact NZ-OE1 3.31Å; K153-E171 IonicContact NZ-OE2 3.79Å; K153-E171 PolarHBondContact NZ-OE2 3.31Å; V155-E171 HydrophobicContact CG1-CB 4.33Å; V155-E171 HydrophobicContact CG1-CG 4.06Å; N167-E171 WeakPolarHBondContact O-CB 3.42Å; N167-E171 WeakPolarHBondContact O-CG 3.41Å; N167-E171 PolarHBondContact O-N 3.04Å; F169-E171 VanDerWaalsContact C-N 3.33Å; F169-E171 PolarHBondContact O-N 2.76Å; E171-L174 PolarHBondContact O-N 3.42Å; E171-A175 VanDerWaalsContact O-CB 3.3Å; E171-A175 WeakPolarHBondContact O-CB 3.31Å; E171-A175 PolarHBondContact O-N 2.93Å
172A98.2Very high91.8Very high1 Ų159.9 Ų59.91%0.00833%0.33CS..Hα-helixtrans-68.4-43.2177.500000111.1V77 L111 V168 F169 D170 A175 A176V77-A172 HydrophobicContact CG1-CB 4.2Å; V77-A172 HydrophobicContact CG2-CB 4.45Å; L111-A172 HydrophobicContact CD1-CB 3.54Å; L111-A172 VanDerWaalsContact CD1-N 3.26Å; V168-A172 WeakPolarHBondContact O-CB 3.36Å; V168-A172 PolarHBondContact O-N 2.93Å; V168-A172 VanDerWaalsContact O-N 3.15Å; F169-A172 PolarHBondContact O-N 3.2Å; D170-A172 VanDerWaalsContact C-N 3.32Å; D170-A172 PolarHBondContact O-N 2.71Å; A172-A175 PolarHBondContact O-N 3.3Å; A172-A176 WeakPolarHBondContact O-CB 3.26Å; A172-A176 PolarHBondContact O-N 2.97Å
173I96.8Very high90.2Very high10 Ų1063 Ų635%0.05135%0.345CS..Hα-helixtrans-60.3-47.8173.7-72.5163.2000110.3I4 V44 I46 L53 F169 D170 A175 A176 L177I4-I173 HydrophobicContact CD1-CG1 4.42Å; I4-I173 HydrophobicContact CD1-CG2 4.01Å; V44-I173 HydrophobicContact CB-CD1 4.39Å; V44-I173 HydrophobicContact CG1-CD1 4.33Å; V44-I173 HydrophobicContact CG2-CD1 3.89Å; I46-I173 HydrophobicContact CD1-CG2 3.24Å; I46-I173 HydrophobicContact CG1-CG2 4.16Å; L53-I173 HydrophobicContact CD1-CG1 4.23Å; L53-I173 HydrophobicContact CD2-CD1 4.14Å; L53-I173 HydrophobicContact CD2-CG1 4.24Å; F169-I173 WeakPolarHBondContact O-CB 3.27Å; F169-I173 WeakPolarHBondContact O-CD1 3.16Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 2.99Å; D170-I173 PolarHBondContact O-N 3.49Å; I173-A175 PolarHBondContact O-N 2.9Å; I173-A176 PolarHBondContact O-N 3.32Å; I173-L177 HydrophobicContact CG2-CD1 3.9Å; I173-L177 HydrophobicContact CG2-CG 4.49Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 3.45Å
174L95.2Very high88.5Confident81 Ų8165.7 Ų65.742%0.42436%0.356SS..Hα-helixtrans-61.1-44.3178.3-71.6168.2000111.5D170 E171 A176 L177 E178D170-L174 VanDerWaalsContact O-CG 3.3Å; D170-L174 WeakPolarHBondContact O-CG 3.37Å; D170-L174 PolarHBondContact O-N 2.57Å; E171-L174 PolarHBondContact O-N 3.42Å; L174-A176 VanDerWaalsContact C-N 3.28Å; L174-A176 PolarHBondContact O-N 3.2Å; L174-L177 PolarHBondContact O-N 2.95Å; L174-E178 PolarHBondContact O-N 3.43Å
175A96.6Very high86.7Confident3 Ų375.6 Ų75.63%0.02538%0.384CS..Hα-helixtrans-61.4-35.3176.800000113.1V77 P109 V152 E171 A172 I173 P179V77-A175 HydrophobicContact CG2-CB 4.05Å; P109-A175 HydrophobicContact CB-CB 4.48Å; P109-A175 WeakPolarHBondContact CG-O 3.33Å; V152-A175 HydrophobicContact CB-CB 4.14Å; V152-A175 HydrophobicContact CG1-CB 3.89Å; V152-A175 HydrophobicContact CG2-CB 4.09Å; E171-A175 VanDerWaalsContact O-CB 3.3Å; E171-A175 WeakPolarHBondContact O-CB 3.31Å; E171-A175 PolarHBondContact O-N 2.93Å; A172-A175 PolarHBondContact O-N 3.3Å; I173-A175 PolarHBondContact O-N 2.9Å; A175-P179 WeakPolarHBondContact O-CA 3.38Å
176A96.1Very high84.9Confident20 Ų2084.9 Ų84.917%0.16543%0.425CS..Hα-helixtrans-72.2-40.7176.800000112.7I4 D76 V77 A172 I173 L174I4-A176 HydrophobicContact CG2-CB 3.57Å; D76-A176 HydrophobicContact CB-CB 3.98Å; V77-A176 HydrophobicContact CB-CB 4.06Å; V77-A176 HydrophobicContact CG1-CB 4.07Å; A172-A176 WeakPolarHBondContact O-CB 3.26Å; A172-A176 PolarHBondContact O-N 2.97Å; I173-A176 PolarHBondContact O-N 3.32Å; L174-A176 VanDerWaalsContact C-N 3.28Å; L174-A176 PolarHBondContact O-N 3.2Å
177L93.2Very high82.9Confident62 Ų6289.6 Ų89.633%0.32544%0.439SS..Hα-helixtrans-81.8-33.3-176.3-68.2179.2000113.3I4 I46 Y51 I173 L174 P179I4-L177 HydrophobicContact CD1-CD1 4.19Å; I4-L177 HydrophobicContact CD1-CD2 3.9Å; I4-L177 HydrophobicContact CD1-CG 3.91Å; I4-L177 HydrophobicContact CG1-CD2 4.38Å; I46-L177 HydrophobicContact CD1-CD1 3.7Å; I46-L177 HydrophobicContact CG2-CD1 3.99Å; Y51-L177 HydrophobicContact CE1-CD2 3.93Å; I173-L177 HydrophobicContact CG2-CD1 3.9Å; I173-L177 HydrophobicContact CG2-CG 4.49Å; I173-L177 WeakPolarHBondContact O-CG 3.47Å; I173-L177 PolarHBondContact O-N 3.45Å; L174-L177 PolarHBondContact O-N 2.95Å; L177-P179 VanDerWaalsContact C-CD 3.4Å; L177-P179 WeakPolarHBondContact O-CD 3.27Å
178E87.8Confident80.9Confident147 Ų14791.7 Ų91.769%0.68746%0.458SS*.SBendtrans-122.366.7-179.4-62.8-177.1-165.300109.9L174L174-E178 PolarHBondContact O-N 3.43Å
179P76.6Confident79.2Confident78 Ų7898.5 Ų98.551%0.50649%0.494SS..PPolyproline II helixtrans-61.3142.8-177.825.6-33.9000110.4A175 L177A175-P179 WeakPolarHBondContact O-CA 3.38Å; L177-P179 VanDerWaalsContact C-CD 3.4Å; L177-P179 WeakPolarHBondContact O-CD 3.27Å
180P73.2Confident77.1Confident78 Ų78106.2 Ų106.251%0.50653%0.534SS..PPolyproline II helixtrans-58.3142.4-179.523.7-33000110.6V152V152-P180 HydrophobicContact CG2-CG 4.18Å
181P70.4Confident74.9Confident115 Ų115115.1 Ų115.175%0.74758%0.581SS**PPolyproline II helixtrans-60.2142.4-177.823.5-32.5000110.7E183P181-E183 PolarHBondContact O-N 3.22Å
182P66.2Low73.8Confident124 Ų124119.3 Ų119.381%0.80560%0.602SS**PPolyproline II helixtrans-59.2134.7179.222.4-31.4000110.6K184P182-K184 PolarHBondContact O-N 3.33Å
183E64.9Low72.5Confident143 Ų143125.5 Ų125.567%0.66863%0.634SS**PPolyproline II helixtrans-57.3131.4177.1-76.4-173.617600110.5K150 P181 R185K150-E183 IonicContact NZ-OE1 3.25Å; K150-E183 PolarHBondContact NZ-OE1 3.01Å; K150-E183 IonicContact NZ-OE2 2.63Å; K150-E183 PolarHBondContact NZ-OE2 3.44Å; P181-E183 PolarHBondContact O-N 3.22Å; E183-R185 PolarHBondContact O-N 2.92Å
184K62Low71.1Confident200 Ų200131.9 Ų131.987%0.8767%0.666SS**  trans-62.2112.2165.1-69.5-176.9-178.3177.70107P182 K186P182-K184 PolarHBondContact O-N 3.33Å; K184-K186 PolarHBondContact O-N 3.44Å
185R60.3Low69.7Low238 Ų238134.9 Ų134.990%0.89868%0.68SS**  trans-49.8114.1168.8-75.2-177.1169.6-173.1-4107.6E183 R187E183-R185 PolarHBondContact O-N 2.92Å; R185-R187 PolarHBondContact O-N 2.99Å
186K60.8Low68.1Low202 Ų202143.2 Ų143.288%0.87872%0.721SS**  trans-56.9115.4162.6-72.8-174.8178.5179.40104.8K184 C188K184-K186 PolarHBondContact O-N 3.44Å; K186-C188 PolarHBondContact O-N 3.49Å
187R55.2Low66.2Low229 Ų229151.4 Ų151.486%0.86476%0.758SS**  trans-54.7107.2172.1-83.7-177.1171.7-177.2-2.6105.8R185 N189R185-R187 PolarHBondContact O-N 2.99Å; R187-N189 VanDerWaalsContact C-N 3.31Å; R187-N189 PolarHBondContact O-N 3.31Å
188C55.7Low64.3Low113 Ų113157.8 Ų157.876%0.76479%0.789SS**  trans-63.2103.3165.1-109.50000105.2K186 L190K186-C188 PolarHBondContact O-N 3.49Å; C188-L190 PolarHBondContact O-N 3.1Å
189N61.7Low62.4Low143 Ų143158.6 Ų158.677%0.76580%0.797SS**  trans-7085.2162-65.7-20.1000105.4R187 L191R187-N189 VanDerWaalsContact C-N 3.31Å; R187-N189 PolarHBondContact O-N 3.31Å; N189-L191 PolarHBondContact O-N 3.1Å; N189-L191 VanDerWaalsContact O-N 3.15Å
190L54.1Low61.3Low162 Ų162165.3 Ų165.385%0.84882%0.821SS**  trans-67.8103.5161.7-78161000105.7C188C188-L190 PolarHBondContact O-N 3.1Å
191L50.9Low60.2Low237 Ų237173.3 Ų173.3100%1.24185%0.85SS**  trans-101.80155.1-79.1169.2000107.2N189N189-L191 PolarHBondContact O-N 3.1Å; N189-L191 VanDerWaalsContact O-N 3.15Å

Retrieved 191 of 191 residues in 113.6 ms (Link to these results)

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