A0A077ZGH1_TRITR Loading...

UTRA and GntR domain containing protein

AlphaFold DB (P0ACM9), UniProt , Accession A0A077ZGH1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M56Low79.6Confident207 Ų20793.2 Ų93.2100%1.0251%0.508SS*.  0-46.50-73.6176.664.700112.4E3 N4 Q5M1-E3 PolarHBondContact O-N 3.29Å; M1-N4 PolarHBondContact O-N 3.43Å; M1-Q5 PolarHBondContact O-N 3.05Å
2A64Low80.9Confident84 Ų8487.8 Ų87.869%0.69448%0.476SS*.Hα-helixtrans-56.4-41.2179.900000114.9N4 Q5 S6A2-N4 PolarHBondContact O-N 3.11Å; A2-Q5 WeakPolarHBondContact O-CB 3.45Å; A2-Q5 PolarHBondContact O-N 3.06Å; A2-S6 PolarHBondContact O-N 3Å
3E66.4Low81.9Confident165 Ų16588.9 Ų88.977%0.77148%0.476SS*.Hα-helixtrans-64.6-37.9-178.3-161.7175-164.100113M1 S6 T7M1-E3 PolarHBondContact O-N 3.29Å; E3-S6 PolarHBondContact O-N 3.19Å; E3-T7 PolarHBondContact O-N 3.23Å; E3-T7 VanDerWaalsContact O-N 3.09Å; E3-T7 PolarHBondContact O-OG1 2.87Å
4N66.9Low82.8Confident111 Ų11187.9 Ų87.959%0.59447%0.465SS*.Hα-helixtrans-71-37.9177-160.125.6000111.4M1 A2 T7 V8M1-N4 PolarHBondContact O-N 3.43Å; A2-N4 PolarHBondContact O-N 3.11Å; N4-T7 PolarHBondContact O-N 3.07Å; N4-V8 WeakPolarHBondContact O-CG2 3.47Å; N4-V8 PolarHBondContact O-N 3.16Å; N4-V8 VanDerWaalsContact O-N 3.1Å
5Q71Confident83.6Confident141 Ų14182.3 Ų82.366%0.65944%0.436SS*.Hα-helixtrans-60.7-45.6174.1-158.2105.97.600111.1M1 A2 T7 V8 E9M1-Q5 PolarHBondContact O-N 3.05Å; A2-Q5 WeakPolarHBondContact O-CB 3.45Å; A2-Q5 PolarHBondContact O-N 3.06Å; Q5-T7 VanDerWaalsContact C-N 3.31Å; Q5-T7 PolarHBondContact O-N 3.39Å; Q5-V8 PolarHBondContact O-N 3.3Å; Q5-E9 PolarHBondContact O-N 3.01Å
6S84.6Confident84.2Confident79 Ų7978.6 Ų78.655%0.55242%0.416SS*.Hα-helixtrans-60.7-39.4176.6171.20000112.4A2 E3 E9 N10A2-S6 PolarHBondContact O-N 3Å; E3-S6 PolarHBondContact O-N 3.19Å; S6-E9 PolarHBondContact O-N 3.35Å; S6-N10 WeakPolarHBondContact O-CB 3.33Å; S6-N10 PolarHBondContact O-N 3.39Å
7T91.8Very high84.7Confident66 Ų6683 Ų8341%0.40543%0.426SS..Hα-helixtrans-67.8-40.7-179.8-480000111.3E3 N4 Q5 A11 T46E3-T7 PolarHBondContact O-N 3.23Å; E3-T7 VanDerWaalsContact O-N 3.09Å; E3-T7 PolarHBondContact O-OG1 2.87Å; N4-T7 PolarHBondContact O-N 3.07Å; Q5-T7 VanDerWaalsContact C-N 3.31Å; Q5-T7 PolarHBondContact O-N 3.39Å; T7-A11 WeakPolarHBondContact O-CB 3.16Å; T7-A11 PolarHBondContact O-N 3.4Å; T7-T46 HydrophobicContact CG2-CG2 3.75Å; T7-T46 WeakPolarHBondContact O-CG2 3.41Å
8V93Very high85Confident17 Ų1780.6 Ų80.610%0.10341%0.41CS..Hα-helixtrans-66.4-42.6175.9172.40000111.3N4 Q5 A11 K12 T46 Q49N4-V8 WeakPolarHBondContact O-CG2 3.47Å; N4-V8 PolarHBondContact O-N 3.16Å; N4-V8 VanDerWaalsContact O-N 3.1Å; Q5-V8 PolarHBondContact O-N 3.3Å; V8-A11 WeakPolarHBondContact O-CB 3.29Å; V8-A11 PolarHBondContact O-N 3.48Å; V8-K12 WeakPolarHBondContact O-CB 3.23Å; V8-K12 PolarHBondContact O-N 2.93Å; V8-T46 HydrophobicContact CB-CG2 4.46Å; V8-T46 HydrophobicContact CG2-CG2 3.94Å; V8-Q49 HydrophobicContact CB-CG 4.5Å; V8-Q49 HydrophobicContact CG1-CB 4.01Å; V8-Q49 HydrophobicContact CG1-CG 3.63Å; V8-Q49 HydrophobicContact CG2-CB 4.03Å; V8-Q49 HydrophobicContact CG2-CG 4.01Å
9E93.1Very high85.4Confident73 Ų7377.9 Ų77.934%0.34140%0.397SS..Hα-helixtrans-64.8-42178.8-159.862.2-152.400111.2Q5 S6 A11 K12 E13Q5-E9 PolarHBondContact O-N 3.01Å; S6-E9 PolarHBondContact O-N 3.35Å; E9-A11 VanDerWaalsContact C-N 3.33Å; E9-A11 PolarHBondContact O-N 2.81Å; E9-K12 WeakPolarHBondContact O-CB 3.41Å; E9-K12 PolarHBondContact O-N 2.69Å; E9-K12 VanDerWaalsContact O-N 3.14Å; E9-K12 IonicContact OE1-NZ 3.54Å; E9-K12 PolarHBondContact OE1-NZ 3.02Å; E9-E13 WeakPolarHBondContact O-CG 3.41Å; E9-E13 PolarHBondContact O-N 3.39Å
10N93.4Very high85.7Confident79 Ų7981.8 Ų81.842%0.42241%0.411SS..Hα-helixtrans-60.9-42.1174.1-169.7-61.1000112S6 K12 E13 K14S6-N10 WeakPolarHBondContact O-CB 3.33Å; S6-N10 PolarHBondContact O-N 3.39Å; N10-K12 VanDerWaalsContact C-N 3.31Å; N10-K12 PolarHBondContact O-N 2.95Å; N10-E13 PolarHBondContact O-N 2.78Å; N10-K14 WeakPolarHBondContact O-CG 3.44Å; N10-K14 PolarHBondContact O-N 3.23Å; N10-K14 WeakPolarHBondContact OD1-CE 3.35Å
11A94.8Very high85.9Confident3 Ų382.9 Ų82.93%0.02542%0.418CS..Hα-helixtrans-61.1-41174.900000112.2T7 V8 E9 K14 L15 I42 T46 A50T7-A11 WeakPolarHBondContact O-CB 3.16Å; T7-A11 PolarHBondContact O-N 3.4Å; V8-A11 WeakPolarHBondContact O-CB 3.29Å; V8-A11 PolarHBondContact O-N 3.48Å; E9-A11 VanDerWaalsContact C-N 3.33Å; E9-A11 PolarHBondContact O-N 2.81Å; A11-K14 PolarHBondContact O-N 3.09Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 2.97Å; A11-L15 VanDerWaalsContact O-N 3.09Å; A11-I42 HydrophobicContact CB-CD1 3.74Å; A11-I42 HydrophobicContact CB-CG1 4.26Å; A11-I42 HydrophobicContact CB-CG2 3.79Å; A11-T46 HydrophobicContact CB-CG2 3.75Å; A11-A50 HydrophobicContact CB-CB 3.81Å
12K95.4Very high87.2Confident29 Ų2975.1 Ų75.113%0.12639%0.391CS..Hα-helixtrans-65.7-44.4175.5178.3-172.5157.4-157.10111.5V8 E9 N10 K14 L15 D16 A50 N53 L54 E57V8-K12 WeakPolarHBondContact O-CB 3.23Å; V8-K12 PolarHBondContact O-N 2.93Å; E9-K12 WeakPolarHBondContact O-CB 3.41Å; E9-K12 PolarHBondContact O-N 2.69Å; E9-K12 VanDerWaalsContact O-N 3.14Å; E9-K12 IonicContact OE1-NZ 3.54Å; E9-K12 PolarHBondContact OE1-NZ 3.02Å; N10-K12 VanDerWaalsContact C-N 3.31Å; N10-K12 PolarHBondContact O-N 2.95Å; K12-K14 VanDerWaalsContact C-N 3.32Å; K12-K14 PolarHBondContact O-N 3.43Å; K12-L15 PolarHBondContact O-N 3.45Å; K12-D16 WeakPolarHBondContact O-CB 3.43Å; K12-D16 PolarHBondContact O-N 3.18Å; K12-A50 HydrophobicContact CB-CB 4.06Å; K12-N53 HydrophobicContact CD-CB 4.1Å; K12-L54 HydrophobicContact CG-CD2 3.84Å; K12-L54 HydrophobicContact CG-CG 4.12Å; K12-E57 WeakPolarHBondContact CE-OE1 3.32Å; K12-E57 IonicContact NZ-OE1 2.94Å; K12-E57 PolarHBondContact NZ-OE1 2.99Å; K12-E57 IonicContact NZ-OE2 3.91Å
13E94.8Very high88.2Confident102 Ų10276.3 Ų76.348%0.47739%0.385SS..Hα-helixtrans-59.6-41.6175.7-74.1176176.200112.2E9 N10 D16 R17E9-E13 WeakPolarHBondContact O-CG 3.41Å; E9-E13 PolarHBondContact O-N 3.39Å; N10-E13 PolarHBondContact O-N 2.78Å; E13-D16 PolarHBondContact O-N 3.43Å; E13-R17 WeakPolarHBondContact O-CB 3.5Å; E13-R17 PolarHBondContact O-N 2.82Å
14K94Very high89.2Confident74 Ų7469.3 Ų69.332%0.32235%0.353SS..Hα-helixtrans-61.3-45.6174.7-76.6179.2172.8-172.60112N10 A11 K12 R17 W18 L40 I42N10-K14 WeakPolarHBondContact O-CG 3.44Å; N10-K14 PolarHBondContact O-N 3.23Å; N10-K14 WeakPolarHBondContact OD1-CE 3.35Å; A11-K14 PolarHBondContact O-N 3.09Å; K12-K14 VanDerWaalsContact C-N 3.32Å; K12-K14 PolarHBondContact O-N 3.43Å; K14-R17 PolarHBondContact O-N 2.92Å; K14-W18 PolarHBondContact O-N 3.06Å; K14-L40 HydrophobicContact CB-CD2 4.29Å; K14-L40 PolarHBondContact NZ-O 3.47Å; K14-I42 HydrophobicContact CB-CD1 4.33Å; K14-I42 HydrophobicContact CD-CD1 4.05Å; K14-I42 HydrophobicContact CD-CG1 4.28Å
15L94.1Very high90.4Very high5 Ų568.5 Ų68.53%0.02635%0.352CS..Hα-helixtrans-66-41.9176.3-75.9167.8000111.7A11 K12 R17 W18 L19 L36 L40 L47 A50 L51 L54A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 2.97Å; A11-L15 VanDerWaalsContact O-N 3.09Å; K12-L15 PolarHBondContact O-N 3.45Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 2.85Å; L15-W18 WeakPolarHBondContact O-CB 3.34Å; L15-W18 PolarHBondContact O-N 3.25Å; L15-W18 VanDerWaalsContact O-N 3.16Å; L15-L19 WeakPolarHBondContact O-CG 3.28Å; L15-L19 PolarHBondContact O-N 3.03Å; L15-L36 HydrophobicContact CD2-CD1 4.33Å; L15-L36 HydrophobicContact CD2-CD2 4.01Å; L15-L40 HydrophobicContact CD2-CD1 3.58Å; L15-L40 HydrophobicContact CG-CD1 3.95Å; L15-L47 HydrophobicContact CD1-CD1 3.9Å; L15-L47 HydrophobicContact CD2-CD1 4.23Å; L15-L47 HydrophobicContact CG-CD1 4.32Å; L15-A50 HydrophobicContact CD1-CB 3.84Å; L15-L51 HydrophobicContact CD1-CD2 3.96Å; L15-L51 HydrophobicContact CD1-CG 4.08Å; L15-L51 HydrophobicContact CD2-CD2 4.42Å; L15-L54 HydrophobicContact CB-CD1 3.48Å; L15-L54 VanDerWaalsContact CB-CD1 3.48Å; L15-L54 HydrophobicContact CD1-CD1 3.91Å; L15-L54 HydrophobicContact CG-CD1 4.31Å
16D93.6Very high91.4Very high23 Ų2365.3 Ų65.312%0.12334%0.344CS..Hα-helixtrans-61.5-39.6178-164.968.3000111.3K12 E13 L19 K20 K59K12-D16 WeakPolarHBondContact O-CB 3.43Å; K12-D16 PolarHBondContact O-N 3.18Å; E13-D16 PolarHBondContact O-N 3.43Å; D16-L19 PolarHBondContact O-N 3.41Å; D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.09Å; D16-K20 VanDerWaalsContact OD2-CE 3.23Å; D16-K20 WeakPolarHBondContact OD2-CE 3.37Å; D16-K20 IonicContact OD2-NZ 2.69Å; D16-K20 PolarHBondContact OD2-NZ 3.21Å; D16-K59 WeakPolarHBondContact OD1-CD 3.27Å; D16-K59 VanDerWaalsContact OD1-CE 3.29Å; D16-K59 WeakPolarHBondContact OD1-CE 3.43Å; D16-K59 IonicContact OD1-NZ 3.98Å; D16-K59 PolarHBondContact OD1-NZ 3.41Å; D16-K59 IonicContact OD2-NZ 3.99Å
17R92.5Very high91.8Very high153 Ų15362.7 Ų62.758%0.57733%0.329SS*.Hα-helixtrans-63.4-46.3172.4-168.5176.6-60.6146.66.1111.8E13 K14 L15 L19 K20 D21E13-R17 WeakPolarHBondContact O-CB 3.5Å; E13-R17 PolarHBondContact O-N 2.82Å; K14-R17 PolarHBondContact O-N 2.92Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 2.85Å; R17-L19 VanDerWaalsContact C-N 3.27Å; R17-L19 PolarHBondContact O-N 2.85Å; R17-K20 WeakPolarHBondContact O-CB 3.39Å; R17-K20 PolarHBondContact O-N 3.09Å; R17-D21 PolarHBondContact O-N 2.69Å
18W90.7Very high91.9Very high40 Ų4060.3 Ų60.315%0.15232%0.318CS..Hα-helixtrans-54.8-44175.1-170.9-58.7000112.2K14 L15 D21 I23 P31 L39 L40K14-W18 PolarHBondContact O-N 3.06Å; L15-W18 WeakPolarHBondContact O-CB 3.34Å; L15-W18 PolarHBondContact O-N 3.25Å; L15-W18 VanDerWaalsContact O-N 3.16Å; W18-D21 PolarHBondContact O-N 2.79Å; W18-I23 HydrophobicContact CD2-CD1 4.17Å; W18-I23 HydrophobicContact CG-CD1 4.26Å; W18-I23 HydrophobicContact CZ2-CD1 4.43Å; W18-I23 HydrophobicContact CZ2-CG2 4.35Å; W18-P31 HydrophobicContact CZ2-CG 4.29Å; W18-L39 HydrophobicContact CH2-CB 3.92Å; W18-L39 HydrophobicContact CH2-CD1 3.71Å; W18-L39 HydrophobicContact CH2-CD2 4.47Å; W18-L39 HydrophobicContact CH2-CG 4.22Å; W18-L39 HydrophobicContact CZ2-CD1 4.43Å; W18-L39 HydrophobicContact CZ3-CB 3.89Å; W18-L39 HydrophobicContact CZ3-CD1 4.5Å; W18-L40 HydrophobicContact CE3-CD1 4.31Å; W18-L40 HydrophobicContact CE3-CD2 3.58Å; W18-L40 HydrophobicContact CE3-CG 4.04Å; W18-L40 HydrophobicContact CZ3-CD2 3.83Å; W18-L40 HydrophobicContact CZ3-CG 4.08Å
19L92.9Very high92Very high29 Ų2965.5 Ų65.515%0.15234%0.339CS..Hα-helixtrans-63.7-41.2177.4-66.1175.9000111.5L15 D16 R17 G22 L30 L54 K59 I60 V70L15-L19 WeakPolarHBondContact O-CG 3.28Å; L15-L19 PolarHBondContact O-N 3.03Å; D16-L19 PolarHBondContact O-N 3.41Å; R17-L19 VanDerWaalsContact C-N 3.27Å; R17-L19 PolarHBondContact O-N 2.85Å; L19-G22 PolarHBondContact O-N 2.98Å; L19-L30 HydrophobicContact CD2-CD2 3.92Å; L19-L54 HydrophobicContact CD1-CD1 4.27Å; L19-K59 HydrophobicContact CD1-CB 4.24Å; L19-I60 HydrophobicContact CD1-CG2 3.74Å; L19-I60 HydrophobicContact CD2-CG2 4.08Å; L19-V70 HydrophobicContact CD2-CB 4.46Å; L19-V70 HydrophobicContact CD2-CG1 4.21Å; L19-V70 HydrophobicContact CD2-CG2 3.58Å
20K90.6Very high92.2Very high155 Ų15562.4 Ų62.467%0.67433%0.325SS*.Hα-helixtrans-68.2-33.5177.9-76.1168173.2163.30113.4D16 R17 G22D16-K20 WeakPolarHBondContact O-CG 3.46Å; D16-K20 PolarHBondContact O-N 3.09Å; D16-K20 VanDerWaalsContact OD2-CE 3.23Å; D16-K20 WeakPolarHBondContact OD2-CE 3.37Å; D16-K20 IonicContact OD2-NZ 2.69Å; D16-K20 PolarHBondContact OD2-NZ 3.21Å; R17-K20 WeakPolarHBondContact O-CB 3.39Å; R17-K20 PolarHBondContact O-N 3.09Å; K20-G22 PolarHBondContact O-N 2.69Å; K20-G22 VanDerWaalsContact O-N 3.11Å
21D90.1Very high92.2Very high106 Ų10660.2 Ų60.257%0.56732%0.315SS*.THydrogen-bonded Turntrans-67.1-8.5177.2-65.2-19000112.1R17 W18 I23R17-D21 PolarHBondContact O-N 2.69Å; W18-D21 PolarHBondContact O-N 2.79Å; D21-I23 HydrophobicContact CB-CD1 4.18Å; D21-I23 HydrophobicContact CB-CG1 4.06Å; D21-I23 PolarHBondContact O-N 3.26Å
22G83Confident92.2Very high44 Ų4462.4 Ų62.445%0.45433%0.33SS..THydrogen-bonded Turntrans71.212.4172.400000114L19 K20 T24L19-G22 PolarHBondContact O-N 2.98Å; K20-G22 PolarHBondContact O-N 2.69Å; K20-G22 VanDerWaalsContact O-N 3.11Å; G22-T24 PolarHBondContact O-N 2.72Å
23I84.8Confident92.2Very high108 Ų10863 Ų6355%0.55433%0.333SS*.SBendtrans-56.4-37.1178.3-59.3169.6000110.5W18 D21W18-I23 HydrophobicContact CD2-CD1 4.17Å; W18-I23 HydrophobicContact CG-CD1 4.26Å; W18-I23 HydrophobicContact CZ2-CD1 4.43Å; W18-I23 HydrophobicContact CZ2-CG2 4.35Å; D21-I23 HydrophobicContact CB-CD1 4.18Å; D21-I23 HydrophobicContact CB-CG1 4.06Å; D21-I23 PolarHBondContact O-N 3.26Å
24T88.5Confident92.2Very high18 Ų1865.4 Ų65.411%0.1134%0.338CS..SBendtrans-115.3118.1171.8-51.30000108.7G22 K29 L30 V70G22-T24 PolarHBondContact O-N 2.72Å; T24-K29 WeakPolarHBondContact CG2-O 3.42Å; T24-L30 HydrophobicContact CG2-CD2 4.15Å; T24-V70 HydrophobicContact CG2-CG2 3.63Å
25T92.1Very high92.2Very high94 Ų9465.7 Ų65.758%0.57734%0.341SS*.  trans-67.2157.4-179.957.60000111.4G27 G28T25-G27 PolarHBondContact O-N 2.83Å; T25-G28 VanDerWaalsContact O-CA 3.27Å; T25-G28 WeakPolarHBondContact O-CA 3.28Å; T25-G28 PolarHBondContact O-N 3.33Å
26P92.2Very high92.3Very high74 Ų7465.5 Ų65.548%0.48134%0.339SS..THydrogen-bonded Turntrans-50.3137.4169.8-25.434.1000111.7G28P26-G28 PolarHBondContact O-N 2.83Å
27G92.8Very high92.4Very high24 Ų2465 Ų6525%0.24734%0.339CS..THydrogen-bonded Turntrans75.9-12-172.400000114.7T25 F69 V70T25-G27 PolarHBondContact O-N 2.83Å; G27-F69 WeakPolarHBondContact O-CD1 3.27Å; G27-V70 WeakPolarHBondContact CA-O 3.43Å; G27-V70 PolarHBondContact N-O 3.41Å
28G94.3Very high92.5Very high16 Ų1663.5 Ų63.517%0.16534%0.339CS..PPolyproline II helixtrans-71.7150.9177.900000112.8T25 P26 F69 V70T25-G28 VanDerWaalsContact O-CA 3.27Å; T25-G28 WeakPolarHBondContact O-CA 3.28Å; T25-G28 PolarHBondContact O-N 3.33Å; P26-G28 PolarHBondContact O-N 2.83Å; G28-F69 CarbonylContact O-C 3.28Å; G28-F69 VanDerWaalsContact O-CA 3.24Å; G28-F69 WeakPolarHBondContact O-CA 3.03Å; G28-V70 PolarHBondContact O-N 2.72Å
29K95Very high92.6Very high126 Ų12666.7 Ų66.755%0.54836%0.359SS..BIsolated β-bridgetrans-82.5129.4178.8-174.2178.9166.8173.40110T24 K66 F69T24-K29 WeakPolarHBondContact CG2-O 3.42Å; K29-K66 WeakPolarHBondContact CE-O 3.24Å; K29-K66 PolarHBondContact NZ-O 3.43Å; K29-F69 HydrophobicContact CB-CD1 3.95Å; K29-F69 HydrophobicContact CB-CE1 3.58Å; K29-F69 HydrophobicContact CB-CZ 4.01Å; K29-F69 HydrophobicContact CD-CE1 4.46Å; K29-F69 HydrophobicContact CD-CZ 4.07Å; K29-F69 HydrophobicContact CG-CD1 4.48Å; K29-F69 HydrophobicContact CG-CE1 3.99Å; K29-F69 HydrophobicContact CG-CE2 4.33Å; K29-F69 HydrophobicContact CG-CZ 3.89Å
30L95.7Very high92.6Very high8 Ų866.6 Ų66.64%0.04236%0.358CS..PPolyproline II helixtrans-71.2155.2170.8-68.5179.6000111.2L19 T24 L36 I60 W68 V70L19-L30 HydrophobicContact CD2-CD2 3.92Å; T24-L30 HydrophobicContact CG2-CD2 4.15Å; L30-L36 HydrophobicContact CB-CD1 4.39Å; L30-I60 HydrophobicContact CD1-CD1 4.45Å; L30-I60 HydrophobicContact CD1-CG2 3.93Å; L30-W68 HydrophobicContact CB-CB 4.13Å; L30-W68 HydrophobicContact CD1-CB 3.88Å; L30-W68 HydrophobicContact CG-CB 4.38Å; L30-W68 PolarHBondContact N-O 3.03Å; L30-V70 HydrophobicContact CD2-CG2 3.79Å; L30-V70 HydrophobicContact CG-CG2 4.21Å
31P95.1Very high92.7Very high33 Ų3362.4 Ų62.421%0.21436%0.359CS..PPolyproline II helixtrans-54158167.3-17.728.3000111.1W18 E35 L36W18-P31 HydrophobicContact CZ2-CG 4.29Å; P31-E35 HydrophobicContact CB-CB 3.86Å; P31-L36 HydrophobicContact CB-CD2 4.46Å; P31-L36 HydrophobicContact CB-CG 4.1Å; P31-L36 HydrophobicContact CG-CD2 4.25Å; P31-L36 HydrophobicContact CG-CG 4.41Å; P31-L36 WeakPolarHBondContact O-CD1 3.28Å
32S94.7Very high92.9Very high50 Ų5058.2 Ų58.235%0.3534%0.336SS..PPolyproline II helixtrans-59157.2178.666.10000111.7R34 E35 L36S32-R34 PolarHBondContact O-N 2.99Å; S32-R34 VanDerWaalsContact O-N 3.09Å; S32-E35 VanDerWaalsContact CB-OE2 3.28Å; S32-E35 WeakPolarHBondContact CB-OE2 3.29Å; S32-E35 PolarHBondContact N-OE2 2.97Å; S32-E35 PolarHBondContact O-N 3.14Å; S32-E35 VanDerWaalsContact OG-CG 3.27Å; S32-E35 WeakPolarHBondContact OG-CG 3.49Å; S32-E35 PolarHBondContact OG-N 3.4Å; S32-E35 PolarHBondContact OG-OE2 3.43Å; S32-L36 PolarHBondContact O-N 3.4Å
33E94.8Very high93.5Very high40 Ų4064.4 Ų64.419%0.18735%0.351CS..Hα-helixtrans-55.6-30.8176.4-67.1-175.7-165.300112G37 L47 R48 L51 W68E33-G37 PolarHBondContact O-N 3.28Å; E33-G37 VanDerWaalsContact O-N 3.09Å; E33-L47 HydrophobicContact CB-CD2 4.24Å; E33-L47 WeakPolarHBondContact O-CD2 3.34Å; E33-R48 IonicContact OE1-NH1 2.71Å; E33-R48 IonicContact OE2-NH1 2.83Å; E33-R48 PolarHBondContact OE2-NH1 2.89Å; E33-L51 HydrophobicContact CG-CD1 3.78Å; E33-W68 PolarHBondContact OE1-NE1 2.9Å
34R94.8Very high93.8Very high154 Ų15468.3 Ų68.358%0.58136%0.358SS*.Hα-helixtrans-67.9-52175.3-172.7-174.869.282.11.7111.1S32 G37 E38S32-R34 PolarHBondContact O-N 2.99Å; S32-R34 VanDerWaalsContact O-N 3.09Å; R34-G37 PolarHBondContact O-N 3.09Å; R34-E38 WeakPolarHBondContact CG-OE1 3.42Å; R34-E38 IonicContact CZ-OE1 3.41Å; R34-E38 IonicContact CZ-OE2 2.68Å; R34-E38 IonicContact NH1-OE1 2.82Å; R34-E38 PolarHBondContact NH1-OE1 3.33Å; R34-E38 IonicContact NH1-OE2 3.57Å; R34-E38 PolarHBondContact NH1-OE2 3.24Å; R34-E38 WeakPolarHBondContact O-CG 2.93Å; R34-E38 PolarHBondContact O-N 2.83Å
35E95.1Very high94.1Very high80 Ų8074.3 Ų74.337%0.37439%0.387SS..Hα-helixtrans-62.2-44179.9-70.7158.215600111.4P31 S32 G37 E38 L39P31-E35 HydrophobicContact CB-CB 3.86Å; S32-E35 VanDerWaalsContact CB-OE2 3.28Å; S32-E35 WeakPolarHBondContact CB-OE2 3.29Å; S32-E35 PolarHBondContact N-OE2 2.97Å; S32-E35 PolarHBondContact O-N 3.14Å; S32-E35 VanDerWaalsContact OG-CG 3.27Å; S32-E35 WeakPolarHBondContact OG-CG 3.49Å; S32-E35 PolarHBondContact OG-N 3.4Å; S32-E35 PolarHBondContact OG-OE2 3.43Å; E35-G37 VanDerWaalsContact C-N 3.31Å; E35-G37 PolarHBondContact O-N 3.44Å; E35-E38 PolarHBondContact O-N 2.92Å; E35-L39 HydrophobicContact CB-CD1 4.26Å; E35-L39 VanDerWaalsContact O-CB 3.29Å; E35-L39 WeakPolarHBondContact O-CB 3.41Å; E35-L39 WeakPolarHBondContact O-CD1 3.45Å; E35-L39 WeakPolarHBondContact O-CG 3.32Å; E35-L39 PolarHBondContact O-N 3.2Å
36L94.4Very high94.2Very high0 Ų070.6 Ų70.60%036%0.364CS..Hα-helixtrans-60.3-40.9175.1-80.1169.9000111.9L15 L30 P31 S32 E38 L40 L47 L51L15-L36 HydrophobicContact CD2-CD1 4.33Å; L15-L36 HydrophobicContact CD2-CD2 4.01Å; L30-L36 HydrophobicContact CB-CD1 4.39Å; P31-L36 HydrophobicContact CB-CD2 4.46Å; P31-L36 HydrophobicContact CB-CG 4.1Å; P31-L36 HydrophobicContact CG-CD2 4.25Å; P31-L36 HydrophobicContact CG-CG 4.41Å; P31-L36 WeakPolarHBondContact O-CD1 3.28Å; S32-L36 PolarHBondContact O-N 3.4Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-L40 HydrophobicContact CD2-CD1 4.3Å; L36-L40 VanDerWaalsContact O-CB 3.28Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.12Å; L36-L47 HydrophobicContact CB-CD1 4.2Å; L36-L47 HydrophobicContact CB-CD2 3.83Å; L36-L51 HydrophobicContact CD1-CD2 4.39Å
37G95.5Very high94.4Very high12 Ų1267.1 Ų67.112%0.12434%0.342CS..Hα-helixtrans-62.2-42.5176.900000112.3E33 R34 E35 G41 I42E33-G37 PolarHBondContact O-N 3.28Å; E33-G37 VanDerWaalsContact O-N 3.09Å; R34-G37 PolarHBondContact O-N 3.09Å; E35-G37 VanDerWaalsContact C-N 3.31Å; E35-G37 PolarHBondContact O-N 3.44Å; G37-G41 CarbonylContact O-C 3.59Å; G37-G41 WeakPolarHBondContact O-CA 3.45Å; G37-G41 PolarHBondContact O-N 2.97Å; G37-I42 WeakPolarHBondContact CA-O 3.36Å; G37-I42 PolarHBondContact O-N 2.79Å
38E95.5Very high94.5Very high122 Ų12270.8 Ų70.857%0.5735%0.348SS*.Hα-helixtrans-67.2-50.3176.3-72.3166.8-165.700111.6R34 E35 L36 L40 G41R34-E38 WeakPolarHBondContact CG-OE1 3.42Å; R34-E38 IonicContact CZ-OE1 3.41Å; R34-E38 IonicContact CZ-OE2 2.68Å; R34-E38 IonicContact NH1-OE1 2.82Å; R34-E38 PolarHBondContact NH1-OE1 3.33Å; R34-E38 IonicContact NH1-OE2 3.57Å; R34-E38 PolarHBondContact NH1-OE2 3.24Å; R34-E38 WeakPolarHBondContact O-CG 2.93Å; R34-E38 PolarHBondContact O-N 2.83Å; E35-E38 PolarHBondContact O-N 2.92Å; L36-E38 VanDerWaalsContact C-N 3.34Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.47Å; E38-G41 PolarHBondContact O-N 3.41Å
39L92.9Very high94.6Very high108 Ų10874.2 Ų74.257%0.56536%0.36SS*.Hα-helixtrans-63-35.3-177.3-71.5160.5000112.8W18 E35W18-L39 HydrophobicContact CH2-CB 3.92Å; W18-L39 HydrophobicContact CH2-CD1 3.71Å; W18-L39 HydrophobicContact CH2-CD2 4.47Å; W18-L39 HydrophobicContact CH2-CG 4.22Å; W18-L39 HydrophobicContact CZ2-CD1 4.43Å; W18-L39 HydrophobicContact CZ3-CB 3.89Å; W18-L39 HydrophobicContact CZ3-CD1 4.5Å; E35-L39 HydrophobicContact CB-CD1 4.26Å; E35-L39 VanDerWaalsContact O-CB 3.29Å; E35-L39 WeakPolarHBondContact O-CB 3.41Å; E35-L39 WeakPolarHBondContact O-CD1 3.45Å; E35-L39 WeakPolarHBondContact O-CG 3.32Å; E35-L39 PolarHBondContact O-N 3.2Å
40L91.9Very high94.6Very high27 Ų2768.2 Ų68.214%0.14133%0.334CS..Hα-helixtrans-99.5-6.2-176.3-66.4174.9000114K14 L15 W18 L36 E38 I42K14-L40 HydrophobicContact CB-CD2 4.29Å; K14-L40 PolarHBondContact NZ-O 3.47Å; L15-L40 HydrophobicContact CD2-CD1 3.58Å; L15-L40 HydrophobicContact CG-CD1 3.95Å; W18-L40 HydrophobicContact CE3-CD1 4.31Å; W18-L40 HydrophobicContact CE3-CD2 3.58Å; W18-L40 HydrophobicContact CE3-CG 4.04Å; W18-L40 HydrophobicContact CZ3-CD2 3.83Å; W18-L40 HydrophobicContact CZ3-CG 4.08Å; L36-L40 HydrophobicContact CD2-CD1 4.3Å; L36-L40 VanDerWaalsContact O-CB 3.28Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.12Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.47Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 HydrophobicContact CB-CD1 3.48Å; L40-I42 VanDerWaalsContact CB-CD1 3.48Å; L40-I42 HydrophobicContact CB-CG1 3.74Å; L40-I42 HydrophobicContact CD1-CD1 3.81Å; L40-I42 HydrophobicContact CG-CD1 4.27Å
41G94.3Very high94.6Very high67 Ų6767.8 Ų67.869%0.69133%0.332SS*.THydrogen-bonded Turntrans61.739.8-17300000112.6G37 E38G37-G41 CarbonylContact O-C 3.59Å; G37-G41 WeakPolarHBondContact O-CA 3.45Å; G37-G41 PolarHBondContact O-N 2.97Å; E38-G41 PolarHBondContact O-N 3.41Å
42I94.6Very high94.5Very high17 Ų1769.2 Ų69.29%0.08734%0.337CS..  trans-110.6129.9-176.8-58.7167.8000109.6A11 K14 G37 L40 T46 L47A11-I42 HydrophobicContact CB-CD1 3.74Å; A11-I42 HydrophobicContact CB-CG1 4.26Å; A11-I42 HydrophobicContact CB-CG2 3.79Å; K14-I42 HydrophobicContact CB-CD1 4.33Å; K14-I42 HydrophobicContact CD-CD1 4.05Å; K14-I42 HydrophobicContact CD-CG1 4.28Å; G37-I42 WeakPolarHBondContact CA-O 3.36Å; G37-I42 PolarHBondContact O-N 2.79Å; L40-I42 VanDerWaalsContact C-N 3.34Å; L40-I42 HydrophobicContact CB-CD1 3.48Å; L40-I42 VanDerWaalsContact CB-CD1 3.48Å; L40-I42 HydrophobicContact CB-CG1 3.74Å; L40-I42 HydrophobicContact CD1-CD1 3.81Å; L40-I42 HydrophobicContact CG-CD1 4.27Å; I42-T46 HydrophobicContact CG2-CG2 4.08Å; I42-L47 HydrophobicContact CB-CB 4.36Å; I42-L47 HydrophobicContact CB-CD1 4.41Å; I42-L47 HydrophobicContact CD1-CD1 4.11Å; I42-L47 HydrophobicContact CG2-CB 3.73Å; I42-L47 HydrophobicContact CG2-CD1 4.36Å
43K94Very high94.5Very high175 Ų17568.9 Ų68.976%0.76133%0.331SS*.  trans-63141.3174.3-64.7-175.6-178.1177.20110.8M45 T46 L47K43-M45 PolarHBondContact O-N 3.28Å; K43-M45 VanDerWaalsContact O-N 3.15Å; K43-T46 WeakPolarHBondContact O-CB 3.44Å; K43-T46 PolarHBondContact O-N 3.25Å; K43-L47 PolarHBondContact O-N 3.04Å
44R92.2Very high94.6Very high189 Ų18967 Ų6771%0.71332%0.323SS*.Hα-helixtrans-47.8-47.8-173.1-172.5179.2-179.8-172.10.3114.9L47 R48R44-L47 PolarHBondContact O-N 2.91Å; R44-R48 WeakPolarHBondContact O-CB 3.11Å; R44-R48 PolarHBondContact O-N 2.93Å
45M94.1Very high94.5Very high145 Ų14562.4 Ų62.471%0.71431%0.308SS*.Hα-helixtrans-66.9-40.3-178.2-70.1-56-63.600112.5K43 R48 Q49K43-M45 PolarHBondContact O-N 3.28Å; K43-M45 VanDerWaalsContact O-N 3.15Å; M45-R48 PolarHBondContact O-N 3.07Å; M45-Q49 PolarHBondContact O-N 3.12Å; M45-Q49 VanDerWaalsContact O-N 3.1Å
46T95.2Very high94.3Very high16 Ų1662.4 Ų62.410%0.09832%0.321CS..Hα-helixtrans-65-44.4175.7-49.80000111T7 V8 A11 I42 K43 R48 Q49 A50T7-T46 HydrophobicContact CG2-CG2 3.75Å; T7-T46 WeakPolarHBondContact O-CG2 3.41Å; V8-T46 HydrophobicContact CB-CG2 4.46Å; V8-T46 HydrophobicContact CG2-CG2 3.94Å; A11-T46 HydrophobicContact CB-CG2 3.75Å; I42-T46 HydrophobicContact CG2-CG2 4.08Å; K43-T46 WeakPolarHBondContact O-CB 3.44Å; K43-T46 PolarHBondContact O-N 3.25Å; T46-R48 VanDerWaalsContact C-N 3.33Å; T46-R48 PolarHBondContact O-N 2.86Å; T46-Q49 PolarHBondContact O-N 2.66Å; T46-A50 PolarHBondContact O-N 2.81Å
47L95.8Very high94.3Very high0 Ų066.2 Ų66.20%034%0.339CS..Hα-helixtrans-59.5-46.5176.8-178.174.5000110.9L15 E33 L36 I42 K43 R44 Q49 A50 L51L15-L47 HydrophobicContact CD1-CD1 3.9Å; L15-L47 HydrophobicContact CD2-CD1 4.23Å; L15-L47 HydrophobicContact CG-CD1 4.32Å; E33-L47 HydrophobicContact CB-CD2 4.24Å; E33-L47 WeakPolarHBondContact O-CD2 3.34Å; L36-L47 HydrophobicContact CB-CD1 4.2Å; L36-L47 HydrophobicContact CB-CD2 3.83Å; I42-L47 HydrophobicContact CB-CB 4.36Å; I42-L47 HydrophobicContact CB-CD1 4.41Å; I42-L47 HydrophobicContact CD1-CD1 4.11Å; I42-L47 HydrophobicContact CG2-CB 3.73Å; I42-L47 HydrophobicContact CG2-CD1 4.36Å; K43-L47 PolarHBondContact O-N 3.04Å; R44-L47 PolarHBondContact O-N 2.91Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.26Å; L47-A50 PolarHBondContact O-N 2.94Å; L47-L51 HydrophobicContact CD2-CD1 4.32Å; L47-L51 HydrophobicContact CG-CD1 3.93Å; L47-L51 HydrophobicContact CG-CG 4.41Å; L47-L51 WeakPolarHBondContact O-CG 3.44Å; L47-L51 PolarHBondContact O-N 3.04Å
48R94.7Very high94.2Very high101 Ų10166.3 Ų66.338%0.38134%0.338SS..Hα-helixtrans-60.4-42179.6-170177.2-176.791.9-5.3111.7E33 R44 M45 T46 L51 L52E33-R48 IonicContact OE1-NH1 2.71Å; E33-R48 IonicContact OE2-NH1 2.83Å; E33-R48 PolarHBondContact OE2-NH1 2.89Å; R44-R48 WeakPolarHBondContact O-CB 3.11Å; R44-R48 PolarHBondContact O-N 2.93Å; M45-R48 PolarHBondContact O-N 3.07Å; T46-R48 VanDerWaalsContact C-N 3.33Å; T46-R48 PolarHBondContact O-N 2.86Å; R48-L51 PolarHBondContact O-N 2.87Å; R48-L52 VanDerWaalsContact O-CG 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.29Å; R48-L52 PolarHBondContact O-N 3.4Å
49Q95.7Very high94.1Very high88 Ų8864 Ų6441%0.41133%0.326SS..Hα-helixtrans-65.6-40.8176.1-170.46159.100111.9V8 M45 T46 L47 L52 N53V8-Q49 HydrophobicContact CB-CG 4.5Å; V8-Q49 HydrophobicContact CG1-CB 4.01Å; V8-Q49 HydrophobicContact CG1-CG 3.63Å; V8-Q49 HydrophobicContact CG2-CB 4.03Å; V8-Q49 HydrophobicContact CG2-CG 4.01Å; M45-Q49 PolarHBondContact O-N 3.12Å; M45-Q49 VanDerWaalsContact O-N 3.1Å; T46-Q49 PolarHBondContact O-N 2.66Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 3.26Å; Q49-L52 PolarHBondContact O-N 2.88Å; Q49-N53 PolarHBondContact NE2-OD1 3.21Å; Q49-N53 VanDerWaalsContact NE2-OD1 3.12Å; Q49-N53 VanDerWaalsContact O-CG 3.28Å; Q49-N53 PolarHBondContact O-N 2.88Å; Q49-N53 PolarHBondContact O-OD1 3.15Å
50A96.2Very high94.2Very high0 Ų058.9 Ų58.90%030%0.299CS..Hα-helixtrans-63.3-41.5176.400000112.2A11 K12 L15 T46 L47 N53 L54A11-A50 HydrophobicContact CB-CB 3.81Å; K12-A50 HydrophobicContact CB-CB 4.06Å; L15-A50 HydrophobicContact CD1-CB 3.84Å; T46-A50 PolarHBondContact O-N 2.81Å; L47-A50 PolarHBondContact O-N 2.94Å; A50-N53 PolarHBondContact O-N 3.42Å; A50-L54 WeakPolarHBondContact O-CG 3.37Å; A50-L54 PolarHBondContact O-N 2.89Å
51L95.6Very high94.3Very high0 Ų057.8 Ų57.80%029%0.293CS..Hα-helixtrans-61.9-43.6174.4-70.7165.2000111.8L15 E33 L36 L47 R48 N53 L54 E55 I60 W68L15-L51 HydrophobicContact CD1-CD2 3.96Å; L15-L51 HydrophobicContact CD1-CG 4.08Å; L15-L51 HydrophobicContact CD2-CD2 4.42Å; E33-L51 HydrophobicContact CG-CD1 3.78Å; L36-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD2-CD1 4.32Å; L47-L51 HydrophobicContact CG-CD1 3.93Å; L47-L51 HydrophobicContact CG-CG 4.41Å; L47-L51 WeakPolarHBondContact O-CG 3.44Å; L47-L51 PolarHBondContact O-N 3.04Å; R48-L51 PolarHBondContact O-N 2.87Å; L51-N53 VanDerWaalsContact C-N 3.3Å; L51-N53 PolarHBondContact O-N 2.95Å; L51-L54 PolarHBondContact O-N 3.1Å; L51-E55 WeakPolarHBondContact O-CB 3.35Å; L51-E55 PolarHBondContact O-N 3.21Å; L51-I60 HydrophobicContact CB-CD1 4.23Å; L51-I60 HydrophobicContact CD2-CD1 3.56Å; L51-W68 HydrophobicContact CB-CH2 4.35Å; L51-W68 HydrophobicContact CB-CZ2 3.88Å; L51-W68 HydrophobicContact CD2-CD2 4.45Å; L51-W68 HydrophobicContact CD2-CG 4.35Å
52L93.6Very high94.1Very high63 Ų6358.5 Ų58.533%0.3328%0.275SS..Hα-helixtrans-62.3-36.6175-69.7170.7000112.3R48 Q49 E55 A56 W68R48-L52 VanDerWaalsContact O-CG 3.31Å; R48-L52 WeakPolarHBondContact O-CG 3.29Å; R48-L52 PolarHBondContact O-N 3.4Å; Q49-L52 PolarHBondContact O-N 2.88Å; L52-E55 PolarHBondContact O-N 2.85Å; L52-A56 PolarHBondContact O-N 2.75Å; L52-W68 HydrophobicContact CD2-CH2 4.29Å
53N94.8Very high93.8Very high43 Ų4359.9 Ų59.923%0.2328%0.28CS..Hα-helixtrans-66.5-43.1175.1-67.73.4000111.3K12 Q49 A50 L51 E55 A56 E57K12-N53 HydrophobicContact CD-CB 4.1Å; Q49-N53 PolarHBondContact NE2-OD1 3.21Å; Q49-N53 VanDerWaalsContact NE2-OD1 3.12Å; Q49-N53 VanDerWaalsContact O-CG 3.28Å; Q49-N53 PolarHBondContact O-N 2.88Å; Q49-N53 PolarHBondContact O-OD1 3.15Å; A50-N53 PolarHBondContact O-N 3.42Å; L51-N53 VanDerWaalsContact C-N 3.3Å; L51-N53 PolarHBondContact O-N 2.95Å; N53-E55 VanDerWaalsContact C-N 3.31Å; N53-E55 PolarHBondContact O-N 3.06Å; N53-A56 PolarHBondContact O-N 3.04Å; N53-E57 WeakPolarHBondContact O-CG 3.48Å; N53-E57 PolarHBondContact O-N 2.71Å
54L95Very high93.3Very high1 Ų154.7 Ų54.71%0.00526%0.261CS..Hα-helixtrans-66.7-32.7176.1-68.3175.6000112.7K12 L15 L19 A50 L51 E57 S58 K59 I60K12-L54 HydrophobicContact CG-CD2 3.84Å; K12-L54 HydrophobicContact CG-CG 4.12Å; L15-L54 HydrophobicContact CB-CD1 3.48Å; L15-L54 VanDerWaalsContact CB-CD1 3.48Å; L15-L54 HydrophobicContact CD1-CD1 3.91Å; L15-L54 HydrophobicContact CG-CD1 4.31Å; L19-L54 HydrophobicContact CD1-CD1 4.27Å; A50-L54 WeakPolarHBondContact O-CG 3.37Å; A50-L54 PolarHBondContact O-N 2.89Å; L51-L54 PolarHBondContact O-N 3.1Å; L54-E57 CarbonylContact O-C 3.32Å; L54-E57 PolarHBondContact O-N 3.15Å; L54-S58 PolarHBondContact O-N 3.32Å; L54-K59 HydrophobicContact CB-CB 4.47Å; L54-K59 HydrophobicContact CD2-CB 4.44Å; L54-K59 HydrophobicContact CD2-CD 3.65Å; L54-K59 PolarHBondContact O-N 3.43Å; L54-I60 HydrophobicContact CB-CD1 3.86Å; L54-I60 HydrophobicContact CB-CG1 3.83Å
55E93.8Very high92.9Very high57 Ų5756.5 Ų56.527%0.26627%0.268SS..Hα-helixtrans-64.5-44.7171.5-173.1177.1-138.100111.3L51 L52 N53 E57 S58 I60 W68L51-E55 WeakPolarHBondContact O-CB 3.35Å; L51-E55 PolarHBondContact O-N 3.21Å; L52-E55 PolarHBondContact O-N 2.85Å; N53-E55 VanDerWaalsContact C-N 3.31Å; N53-E55 PolarHBondContact O-N 3.06Å; E55-E57 PolarHBondContact O-N 3.15Å; E55-S58 WeakPolarHBondContact O-CA 3.15Å; E55-S58 PolarHBondContact O-N 3.27Å; E55-I60 WeakPolarHBondContact CA-O 3.38Å; E55-I60 HydrophobicContact CB-CG1 4.36Å; E55-W68 HydrophobicContact CB-CH2 4.12Å; E55-W68 HydrophobicContact CB-CZ3 3.72Å; E55-W68 VanDerWaalsContact CD-CZ3 3.49Å; E55-W68 HydrophobicContact CG-CH2 4.4Å; E55-W68 HydrophobicContact CG-CZ3 3.9Å; E55-W68 WeakPolarHBondContact OE2-CH2 2.96Å
56A91Very high92.8Very high80 Ų8056 Ų5666%0.66126%0.262SS*.Hα-helixtrans-61.5-32.9175.900000112.3L52 N53 S58L52-A56 PolarHBondContact O-N 2.75Å; N53-A56 PolarHBondContact O-N 3.04Å; A56-S58 PolarHBondContact O-N 3.28Å
57E93Very high92.6Very high80 Ų8056.5 Ų56.537%0.37427%0.27SS..THydrogen-bonded Turntrans-79.32.3172.8-69.6176-164.800113.6K12 N53 L54 E55 K59K12-E57 WeakPolarHBondContact CE-OE1 3.32Å; K12-E57 IonicContact NZ-OE1 2.94Å; K12-E57 PolarHBondContact NZ-OE1 2.99Å; K12-E57 IonicContact NZ-OE2 3.91Å; N53-E57 WeakPolarHBondContact O-CG 3.48Å; N53-E57 PolarHBondContact O-N 2.71Å; L54-E57 CarbonylContact O-C 3.32Å; L54-E57 PolarHBondContact O-N 3.15Å; E55-E57 PolarHBondContact O-N 3.15Å; E57-K59 HydrophobicContact CB-CD 4.28Å; E57-K59 HydrophobicContact CB-CG 4.21Å; E57-K59 PolarHBondContact O-N 2.68Å; E57-K59 VanDerWaalsContact O-N 3.15Å; E57-K59 VanDerWaalsContact OE2-CE 3.28Å; E57-K59 WeakPolarHBondContact OE2-CE 3.49Å; E57-K59 IonicContact OE2-NZ 3.92Å; E57-K59 PolarHBondContact OE2-NZ 2.82Å
58S93.6Very high92.5Very high13 Ų1356.9 Ų56.99%0.09127%0.272CS..THydrogen-bonded Turntrans5820.5-176.1-55.90000114.7L54 E55 A56 T71 F227L54-S58 PolarHBondContact O-N 3.32Å; E55-S58 WeakPolarHBondContact O-CA 3.15Å; E55-S58 PolarHBondContact O-N 3.27Å; A56-S58 PolarHBondContact O-N 3.28Å; S58-T71 WeakPolarHBondContact O-CB 3.29Å; S58-T71 VanDerWaalsContact O-CG2 3.27Å; S58-T71 WeakPolarHBondContact O-CG2 3.35Å; S58-T71 PolarHBondContact O-OG1 3.1Å; S58-F227 WeakPolarHBondContact OG-CD1 3.32Å
59K94.5Very high92.5Very high73 Ų7353 Ų5332%0.31726%0.257SS..SBendtrans-79.2-29.8176.5-71.2175.9175168.60112.7D16 L19 L54 E57 T71D16-K59 WeakPolarHBondContact OD1-CD 3.27Å; D16-K59 VanDerWaalsContact OD1-CE 3.29Å; D16-K59 WeakPolarHBondContact OD1-CE 3.43Å; D16-K59 IonicContact OD1-NZ 3.98Å; D16-K59 PolarHBondContact OD1-NZ 3.41Å; D16-K59 IonicContact OD2-NZ 3.99Å; L19-K59 HydrophobicContact CD1-CB 4.24Å; L54-K59 HydrophobicContact CB-CB 4.47Å; L54-K59 HydrophobicContact CD2-CB 4.44Å; L54-K59 HydrophobicContact CD2-CD 3.65Å; L54-K59 PolarHBondContact O-N 3.43Å; E57-K59 HydrophobicContact CB-CD 4.28Å; E57-K59 HydrophobicContact CB-CG 4.21Å; E57-K59 PolarHBondContact O-N 2.68Å; E57-K59 VanDerWaalsContact O-N 3.15Å; E57-K59 VanDerWaalsContact OE2-CE 3.28Å; E57-K59 WeakPolarHBondContact OE2-CE 3.49Å; E57-K59 IonicContact OE2-NZ 3.92Å; E57-K59 PolarHBondContact OE2-NZ 2.82Å; K59-T71 PolarHBondContact O-N 3.33Å; K59-T71 PolarHBondContact O-OG1 3.35Å
60I95.2Very high92.5Very high1 Ų149.5 Ų49.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-133.2164.3172.867.1177.2000108.9L19 L30 L51 L54 E55 W68 F69 T71L19-I60 HydrophobicContact CD1-CG2 3.74Å; L19-I60 HydrophobicContact CD2-CG2 4.08Å; L30-I60 HydrophobicContact CD1-CD1 4.45Å; L30-I60 HydrophobicContact CD1-CG2 3.93Å; L51-I60 HydrophobicContact CB-CD1 4.23Å; L51-I60 HydrophobicContact CD2-CD1 3.56Å; L54-I60 HydrophobicContact CB-CD1 3.86Å; L54-I60 HydrophobicContact CB-CG1 3.83Å; E55-I60 WeakPolarHBondContact CA-O 3.38Å; E55-I60 HydrophobicContact CB-CG1 4.36Å; I60-W68 HydrophobicContact CD1-CD2 4.03Å; I60-W68 HydrophobicContact CD1-CE3 3.52Å; I60-W68 HydrophobicContact CD1-CZ3 3.96Å; I60-W68 HydrophobicContact CG1-CE3 3.88Å; I60-W68 HydrophobicContact CG1-CZ3 4.15Å; I60-F69 CarbonylContact C-O 3.58Å; I60-F69 WeakPolarHBondContact CA-O 3.28Å; I60-F69 VanDerWaalsContact CB-O 3.29Å; I60-F69 WeakPolarHBondContact CB-O 3.39Å; I60-T71 WeakPolarHBondContact CA-OG1 3.45Å; I60-T71 PolarHBondContact N-OG1 2.91Å
61F92.6Very high92.5Very high4 Ų450.4 Ų50.42%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-143.1156.7173.568-81.8000110.9K63 F69 V70 H137 E228F61-K63 HydrophobicContact CD2-CG 4.22Å; F61-K63 HydrophobicContact CE2-CD 4.16Å; F61-K63 HydrophobicContact CE2-CG 3.73Å; F61-F69 HydrophobicContact CD1-CB 3.96Å; F61-F69 WeakPolarHBondContact CD1-O 3.36Å; F61-F69 HydrophobicContact CD2-CB 4.34Å; F61-F69 HydrophobicContact CE1-CB 3.48Å; F61-F69 VanDerWaalsContact CE1-CB 3.48Å; F61-F69 HydrophobicContact CE2-CB 3.93Å; F61-F69 HydrophobicContact CE2-CG 4.35Å; F61-F69 HydrophobicContact CG-CB 4.37Å; F61-F69 HydrophobicContact CZ-CB 3.48Å; F61-F69 VanDerWaalsContact CZ-CB 3.48Å; F61-F69 HydrophobicContact CZ-CG 4.14Å; F61-F69 PolarHBondContact N-O 2.97Å; F61-F69 PolarHBondContact O-N 2.86Å; F61-V70 WeakPolarHBondContact CE1-O 3.46Å; F61-H137 AromaticContact CE2-CE1 3.39Å; F61-H137 WeakPolarHBondContact CE2-CE1 3.24Å; F61-H137 AromaticContact CE2-NE2 3.66Å; F61-H137 AromaticContact CZ-CE1 3.81Å; F61-H137 AromaticContact CZ-NE2 3.77Å; F61-E228 HydrophobicContact CB-CG 3.97Å; F61-E228 HydrophobicContact CD1-CG 4.46Å; F61-E228 HydrophobicContact CG-CG 4.29Å
62R90.5Very high92.4Very high83 Ų8351.7 Ų51.731%0.31325%0.253SS..EExtended strand (participates in β ladder)trans-102.1131.8178.2-160.5174.671.5-170.80.4111.6G67 W68 S198R62-G67 WeakPolarHBondContact CG-O 3.37Å; R62-W68 HydrophobicContact CB-CE3 4Å; R62-W68 HydrophobicContact CB-CH2 4.34Å; R62-W68 HydrophobicContact CB-CZ3 3.88Å; R62-W68 HydrophobicContact CG-CE3 4.47Å; R62-S198 PolarHBondContact NE-OG 2.99Å; R62-S198 VanDerWaalsContact NE-OG 3.14Å; R62-S198 PolarHBondContact NH2-OG 2.81Å
63K88.4Confident92.3Very high45 Ų4552.7 Ų52.720%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-97.6135.3164.5-66-177.8-171.3170.80109F61 R65 K66 G67 F69 G196F61-K63 HydrophobicContact CD2-CG 4.22Å; F61-K63 HydrophobicContact CE2-CD 4.16Å; F61-K63 HydrophobicContact CE2-CG 3.73Å; K63-R65 PolarHBondContact O-N 3.26Å; K63-K66 HydrophobicContact CB-CB 3.8Å; K63-K66 HydrophobicContact CB-CD 4.32Å; K63-K66 PolarHBondContact O-N 3.22Å; K63-G67 PolarHBondContact N-O 3.22Å; K63-G67 VanDerWaalsContact N-O 3.13Å; K63-G67 PolarHBondContact O-N 3.34Å; K63-F69 HydrophobicContact CB-CD2 4.04Å; K63-F69 HydrophobicContact CB-CE2 3.71Å; K63-F69 HydrophobicContact CD-CD1 4.4Å; K63-F69 HydrophobicContact CD-CD2 3.86Å; K63-F69 HydrophobicContact CD-CE1 4.17Å; K63-F69 HydrophobicContact CD-CE2 3.65Å; K63-F69 HydrophobicContact CD-CG 4.26Å; K63-F69 HydrophobicContact CD-CZ 3.81Å; K63-F69 HydrophobicContact CG-CD2 3.76Å; K63-F69 HydrophobicContact CG-CE2 3.79Å; K63-F69 HydrophobicContact CG-CG 4.46Å; K63-F69 HydrophobicContact CG-CZ 4.46Å; K63-G196 WeakPolarHBondContact CA-O 3.45Å
64D83.5Confident92.3Very high66 Ų6654.2 Ų54.235%0.35327%0.266SS..THydrogen-bonded Turntrans-53.2127.3-175.9-17735.2000110.6K66 G196D64-K66 WeakPolarHBondContact O-CG 3.45Å; D64-K66 PolarHBondContact O-N 3.34Å; D64-G196 PolarHBondContact N-O 2.84Å
65R85Confident92.3Very high228 Ų22854.1 Ų54.186%0.8627%0.266SS*.THydrogen-bonded Turntrans51.913.9-178.6-71172.6-93.1179-8.3116.1K63K63-R65 PolarHBondContact O-N 3.26Å
66K90.3Very high92.4Very high134 Ų13455.1 Ų55.158%0.58327%0.273SS*.THydrogen-bonded Turntrans-112.2-14.8-178.5-72.5-178.2-177.9-173.10113.4K29 K63 D64 F69K29-K66 WeakPolarHBondContact CE-O 3.24Å; K29-K66 PolarHBondContact NZ-O 3.43Å; K63-K66 HydrophobicContact CB-CB 3.8Å; K63-K66 HydrophobicContact CB-CD 4.32Å; K63-K66 PolarHBondContact O-N 3.22Å; D64-K66 WeakPolarHBondContact O-CG 3.45Å; D64-K66 PolarHBondContact O-N 3.34Å; K66-F69 HydrophobicContact CB-CE2 3.96Å; K66-F69 HydrophobicContact CB-CZ 4.19Å
67G92.3Very high92.4Very high27 Ų2752.1 Ų52.128%0.27825%0.245SC..EExtended strand (participates in β ladder)trans99.6-159.717800000112.7R62 K63 F69R62-G67 WeakPolarHBondContact CG-O 3.37Å; K63-G67 PolarHBondContact N-O 3.22Å; K63-G67 VanDerWaalsContact N-O 3.13Å; K63-G67 PolarHBondContact O-N 3.34Å; G67-F69 WeakPolarHBondContact O-CD2 3.47Å
68W94.3Very high92.3Very high8 Ų849.5 Ų49.53%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-94.3143.1-176.3-63.3100.7000111.3L30 E33 L51 L52 E55 I60 R62L30-W68 HydrophobicContact CB-CB 4.13Å; L30-W68 HydrophobicContact CD1-CB 3.88Å; L30-W68 HydrophobicContact CG-CB 4.38Å; L30-W68 PolarHBondContact N-O 3.03Å; E33-W68 PolarHBondContact OE1-NE1 2.9Å; L51-W68 HydrophobicContact CB-CH2 4.35Å; L51-W68 HydrophobicContact CB-CZ2 3.88Å; L51-W68 HydrophobicContact CD2-CD2 4.45Å; L51-W68 HydrophobicContact CD2-CG 4.35Å; L52-W68 HydrophobicContact CD2-CH2 4.29Å; E55-W68 HydrophobicContact CB-CH2 4.12Å; E55-W68 HydrophobicContact CB-CZ3 3.72Å; E55-W68 VanDerWaalsContact CD-CZ3 3.49Å; E55-W68 HydrophobicContact CG-CH2 4.4Å; E55-W68 HydrophobicContact CG-CZ3 3.9Å; E55-W68 WeakPolarHBondContact OE2-CH2 2.96Å; I60-W68 HydrophobicContact CD1-CD2 4.03Å; I60-W68 HydrophobicContact CD1-CE3 3.52Å; I60-W68 HydrophobicContact CD1-CZ3 3.96Å; I60-W68 HydrophobicContact CG1-CE3 3.88Å; I60-W68 HydrophobicContact CG1-CZ3 4.15Å; R62-W68 HydrophobicContact CB-CE3 4Å; R62-W68 HydrophobicContact CB-CH2 4.34Å; R62-W68 HydrophobicContact CB-CZ3 3.88Å; R62-W68 HydrophobicContact CG-CE3 4.47Å
69F94.7Very high91.9Very high19 Ų1948.9 Ų48.98%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-131.7145.2-179.4-68.6-99.8000109.3G27 G28 K29 I60 F61 K63 K66 G67G27-F69 WeakPolarHBondContact O-CD1 3.27Å; G28-F69 CarbonylContact O-C 3.28Å; G28-F69 VanDerWaalsContact O-CA 3.24Å; G28-F69 WeakPolarHBondContact O-CA 3.03Å; K29-F69 HydrophobicContact CB-CD1 3.95Å; K29-F69 HydrophobicContact CB-CE1 3.58Å; K29-F69 HydrophobicContact CB-CZ 4.01Å; K29-F69 HydrophobicContact CD-CE1 4.46Å; K29-F69 HydrophobicContact CD-CZ 4.07Å; K29-F69 HydrophobicContact CG-CD1 4.48Å; K29-F69 HydrophobicContact CG-CE1 3.99Å; K29-F69 HydrophobicContact CG-CE2 4.33Å; K29-F69 HydrophobicContact CG-CZ 3.89Å; I60-F69 CarbonylContact C-O 3.58Å; I60-F69 WeakPolarHBondContact CA-O 3.28Å; I60-F69 VanDerWaalsContact CB-O 3.29Å; I60-F69 WeakPolarHBondContact CB-O 3.39Å; F61-F69 HydrophobicContact CD1-CB 3.96Å; F61-F69 WeakPolarHBondContact CD1-O 3.36Å; F61-F69 HydrophobicContact CD2-CB 4.34Å; F61-F69 HydrophobicContact CE1-CB 3.48Å; F61-F69 VanDerWaalsContact CE1-CB 3.48Å; F61-F69 HydrophobicContact CE2-CB 3.93Å; F61-F69 HydrophobicContact CE2-CG 4.35Å; F61-F69 HydrophobicContact CG-CB 4.37Å; F61-F69 HydrophobicContact CZ-CB 3.48Å; F61-F69 VanDerWaalsContact CZ-CB 3.48Å; F61-F69 HydrophobicContact CZ-CG 4.14Å; F61-F69 PolarHBondContact N-O 2.97Å; F61-F69 PolarHBondContact O-N 2.86Å; K63-F69 HydrophobicContact CB-CD2 4.04Å; K63-F69 HydrophobicContact CB-CE2 3.71Å; K63-F69 HydrophobicContact CD-CD1 4.4Å; K63-F69 HydrophobicContact CD-CD2 3.86Å; K63-F69 HydrophobicContact CD-CE1 4.17Å; K63-F69 HydrophobicContact CD-CE2 3.65Å; K63-F69 HydrophobicContact CD-CG 4.26Å; K63-F69 HydrophobicContact CD-CZ 3.81Å; K63-F69 HydrophobicContact CG-CD2 3.76Å; K63-F69 HydrophobicContact CG-CE2 3.79Å; K63-F69 HydrophobicContact CG-CG 4.46Å; K63-F69 HydrophobicContact CG-CZ 4.46Å; K66-F69 HydrophobicContact CB-CE2 3.96Å; K66-F69 HydrophobicContact CB-CZ 4.19Å; G67-F69 WeakPolarHBondContact O-CD2 3.47Å
70V95.7Very high91.3Very high15 Ų1548.1 Ų48.19%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-72.3130.8173.5-175.30000108.6L19 T24 G27 G28 L30 F61L19-V70 HydrophobicContact CD2-CB 4.46Å; L19-V70 HydrophobicContact CD2-CG1 4.21Å; L19-V70 HydrophobicContact CD2-CG2 3.58Å; T24-V70 HydrophobicContact CG2-CG2 3.63Å; G27-V70 WeakPolarHBondContact CA-O 3.43Å; G27-V70 PolarHBondContact N-O 3.41Å; G28-V70 PolarHBondContact O-N 2.72Å; L30-V70 HydrophobicContact CD2-CG2 3.79Å; L30-V70 HydrophobicContact CG-CG2 4.21Å; F61-V70 WeakPolarHBondContact CE1-O 3.46Å
71T94.5Very high90.4Very high18 Ų1852.6 Ų52.611%0.1125%0.252CS..PPolyproline II helixtrans-64.1140.4179.6-54.70000110.6S58 K59 I60 E228S58-T71 WeakPolarHBondContact O-CB 3.29Å; S58-T71 VanDerWaalsContact O-CG2 3.27Å; S58-T71 WeakPolarHBondContact O-CG2 3.35Å; S58-T71 PolarHBondContact O-OG1 3.1Å; K59-T71 PolarHBondContact O-N 3.33Å; K59-T71 PolarHBondContact O-OG1 3.35Å; I60-T71 WeakPolarHBondContact CA-OG1 3.45Å; I60-T71 PolarHBondContact N-OG1 2.91Å; T71-E228 HydrophobicContact CG2-CB 3.83Å; T71-E228 HydrophobicContact CG2-CG 3.88Å; T71-E228 VanDerWaalsContact CG2-O 3.24Å; T71-E228 WeakPolarHBondContact CG2-O 3.39Å
72Q93.5Very high89.2Confident27 Ų2754.6 Ų54.613%0.12627%0.266CS..PPolyproline II helixtrans-75.4160.5172.5-64.4-157.962.700110.8R74 L134 E135Q72-R74 PolarHBondContact O-N 3.39Å; Q72-L134 PolarHBondContact NE2-O 3.27Å; Q72-E135 PolarHBondContact OE1-OE2 2.79Å
73P92.5Very high88.1Confident85 Ų8553 Ų5355%0.55227%0.271SS*.PPolyproline II helixtrans-49.4133.8168.1-26.835.7000110.9R94P73-R94 PolarHBondContact O-NH1 2.96Å
74R94.8Very high87.7Confident74 Ų7452.5 Ų52.528%0.27927%0.273SS..PPolyproline II helixtrans-63.1143.1-179.9-66.2174.683.5109.93.9109.4Q72 F227 V230 D231Q72-R74 PolarHBondContact O-N 3.39Å; R74-F227 PolarHBondContact NH2-O 3.32Å; R74-V230 VanDerWaalsContact CZ-O 3.31Å; R74-V230 PolarHBondContact NE-O 3.05Å; R74-V230 VanDerWaalsContact NE-O 3.15Å; R74-V230 PolarHBondContact NH2-O 3.47Å; R74-D231 VanDerWaalsContact CB-OD2 3.28Å; R74-D231 WeakPolarHBondContact CB-OD2 3.5Å; R74-D231 WeakPolarHBondContact CD-OD1 3.41Å; R74-D231 WeakPolarHBondContact CD-OD2 3.33Å; R74-D231 IonicContact CZ-OD1 3.98Å; R74-D231 IonicContact NE-OD1 3.61Å; R74-D231 PolarHBondContact NE-OD1 2.63Å; R74-D231 IonicContact NE-OD2 3.99Å; R74-D231 IonicContact NH2-OD1 2.6Å
75F95.3Very high88Confident0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-84.4125175.9177.3-116.9000109.6Y77 F85 A88 A89 Q92 L134 W225 A229 V230 D231F75-Y77 HydrophobicContact CD1-CG 4.45Å; F75-Y77 AromaticContact CE1-CD2 3.74Å; F75-Y77 HydrophobicContact CE1-CD2 3.74Å; F75-Y77 HydrophobicContact CE1-CG 4.1Å; F75-Y77 PolarHBondContact O-N 3.43Å; F75-Y77 VanDerWaalsContact O-N 3.16Å; F75-F85 HydrophobicContact CD1-CD2 4.46Å; F75-F85 HydrophobicContact CD1-CE2 4.19Å; F75-F85 AromaticContact CE1-CD2 3.71Å; F75-F85 HydrophobicContact CE1-CD2 3.71Å; F75-F85 AromaticContact CE1-CE2 3.85Å; F75-F85 HydrophobicContact CE1-CE2 3.85Å; F75-F85 AromaticContact CZ-CD2 3.87Å; F75-F85 HydrophobicContact CZ-CD2 3.87Å; F75-F85 HydrophobicContact CZ-CE2 4.04Å; F75-A88 HydrophobicContact CE2-CB 4.39Å; F75-A88 HydrophobicContact CZ-CB 3.85Å; F75-A89 HydrophobicContact CE2-CB 4.05Å; F75-Q92 VanDerWaalsContact CD2-OE1 3.29Å; F75-L134 HydrophobicContact CB-CD1 3.6Å; F75-L134 HydrophobicContact CD2-CD1 4.02Å; F75-L134 HydrophobicContact CG-CD1 3.85Å; F75-W225 AromaticContact CD1-CH2 3.67Å; F75-W225 HydrophobicContact CD1-CH2 3.67Å; F75-W225 AromaticContact CD1-CZ3 3.69Å; F75-W225 HydrophobicContact CD1-CZ3 3.69Å; F75-W225 AromaticContact CE1-CH2 3.77Å; F75-W225 HydrophobicContact CE1-CH2 3.77Å; F75-W225 HydrophobicContact CE1-CZ3 4.28Å; F75-A229 WeakPolarHBondContact CB-O 3.45Å; F75-A229 PolarHBondContact N-O 3.14Å; F75-V230 WeakPolarHBondContact O-CA 3.47Å; F75-D231 PolarHBondContact O-N 2.89Å
76N94.1Very high88.1Confident78 Ų7843.7 Ų43.742%0.41724%0.239SC..EExtended strand (participates in β ladder)trans-78101.7176.2-67.8-22.9000108.5Q92 I233N76-Q92 PolarHBondContact O-NE2 2.88Å; N76-I233 HydrophobicContact CB-CG1 3.92Å
77Y92.3Very high88Confident17 Ų1744.7 Ų44.77%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-104.2121.3-177.2-174.9-135.4000110.9F75 P79 I206 K208 E223 W225 V230 D231 L232 I233F75-Y77 HydrophobicContact CD1-CG 4.45Å; F75-Y77 AromaticContact CE1-CD2 3.74Å; F75-Y77 HydrophobicContact CE1-CD2 3.74Å; F75-Y77 HydrophobicContact CE1-CG 4.1Å; F75-Y77 PolarHBondContact O-N 3.43Å; F75-Y77 VanDerWaalsContact O-N 3.16Å; Y77-P79 HydrophobicContact CD1-CB 4.28Å; Y77-P79 HydrophobicContact CE1-CB 3.79Å; Y77-P79 WeakPolarHBondContact O-CD 3.24Å; Y77-I206 HydrophobicContact CD1-CD1 3.78Å; Y77-I206 HydrophobicContact CE1-CD1 3.62Å; Y77-K208 PolarHBondContact OH-NZ 2.65Å; Y77-E223 WeakPolarHBondContact CE1-OE2 3.08Å; Y77-E223 VanDerWaalsContact OH-CD 3.31Å; Y77-E223 PolarHBondContact OH-OE1 3.25Å; Y77-E223 PolarHBondContact OH-OE2 2.98Å; Y77-W225 HydrophobicContact CD1-CD2 4.5Å; Y77-W225 AromaticContact CD1-CE2 3.77Å; Y77-W225 HydrophobicContact CD1-CH2 4.26Å; Y77-W225 AromaticContact CD1-CZ2 3.64Å; Y77-W225 HydrophobicContact CD1-CZ2 3.64Å; Y77-W225 HydrophobicContact CD2-CH2 4.27Å; Y77-W225 HydrophobicContact CD2-CZ2 4.07Å; Y77-W225 AromaticContact CE1-CE2 3.64Å; Y77-W225 AromaticContact CE1-CZ2 3.52Å; Y77-W225 HydrophobicContact CE1-CZ2 3.52Å; Y77-W225 AromaticContact CE1-NE1 3.57Å; Y77-W225 AromaticContact CE2-CZ2 3.99Å; Y77-W225 HydrophobicContact CE2-CZ2 3.99Å; Y77-W225 HydrophobicContact CG-CH2 4.12Å; Y77-W225 AromaticContact CG-CZ2 3.9Å; Y77-W225 HydrophobicContact CG-CZ2 3.9Å; Y77-W225 AromaticContact CZ-CZ2 3.7Å; Y77-V230 HydrophobicContact CD1-CG2 4.38Å; Y77-V230 HydrophobicContact CG-CG2 4.39Å; Y77-D231 PolarHBondContact N-O 3.06Å; Y77-L232 HydrophobicContact CD1-CD2 3.71Å; Y77-L232 HydrophobicContact CG-CD2 4.45Å; Y77-L232 WeakPolarHBondContact O-CA 3.27Å; Y77-I233 PolarHBondContact O-N 3.17Å
78S90.8Very high87.9Confident25 Ų2544.3 Ų44.318%0.17523%0.234CC..  trans-106.287.1172.9-69.80000109.8E80 L81 I233S78-E80 VanDerWaalsContact CA-OE2 3.29Å; S78-E80 WeakPolarHBondContact CA-OE2 3.47Å; S78-E80 WeakPolarHBondContact CB-OE2 3.43Å; S78-E80 PolarHBondContact O-N 3.26Å; S78-L81 PolarHBondContact O-N 3.16Å; S78-I233 WeakPolarHBondContact CA-O 3.27Å; S78-I233 PolarHBondContact OG-O 3.21Å
79P85.3Confident87.9Confident0 Ų044 Ų440%023%0.233CC..THydrogen-bonded Turntrans-65.7-16.6-174.325.8-36.3000114.7Y77 L81 L180 F182 I206 K208Y77-P79 HydrophobicContact CD1-CB 4.28Å; Y77-P79 HydrophobicContact CE1-CB 3.79Å; Y77-P79 WeakPolarHBondContact O-CD 3.24Å; P79-L81 VanDerWaalsContact C-N 3.27Å; P79-L180 HydrophobicContact CB-CD1 3.99Å; P79-L180 HydrophobicContact CB-CD2 4.29Å; P79-L180 HydrophobicContact CG-CD1 4.35Å; P79-L180 HydrophobicContact CG-CD2 3.92Å; P79-F182 HydrophobicContact CB-CZ 4.49Å; P79-F182 HydrophobicContact CG-CE1 3.73Å; P79-F182 HydrophobicContact CG-CZ 3.51Å; P79-I206 HydrophobicContact CB-CG2 4.12Å; P79-K208 HydrophobicContact CB-CD 4.25Å
80E81.2Confident87.8Confident56 Ų5647.7 Ų47.726%0.26225%0.252SS..THydrogen-bonded Turntrans-69.4-24.9174.670.4-83.2-159.700112.9S78S78-E80 VanDerWaalsContact CA-OE2 3.29Å; S78-E80 WeakPolarHBondContact CA-OE2 3.47Å; S78-E80 WeakPolarHBondContact CB-OE2 3.43Å; S78-E80 PolarHBondContact O-N 3.26Å
81L76.2Confident87.7Confident95 Ų9552.9 Ų52.950%0.49728%0.276SS..SBendtrans-77.6144.1-178.5-58.4179.2000110.8S78 P79 A83S78-L81 PolarHBondContact O-N 3.16Å; P79-L81 VanDerWaalsContact C-N 3.27Å; L81-A83 HydrophobicContact CB-CB 4.33Å; L81-A83 PolarHBondContact O-N 3.23Å
82S68.5Low87.7Confident46 Ų4655.2 Ų55.232%0.32229%0.285SS..  trans-79.3-2171.2-60.50000113.1T175S82-T175 PolarHBondContact OG-O 3.12Å
83A67.5Low87.8Confident49 Ų4957.3 Ų57.341%0.40532%0.315SS..SBendtrans-62.4136.5177.500000111.2L81L81-A83 HydrophobicContact CB-CB 4.33Å; L81-A83 PolarHBondContact O-N 3.23Å
84S79.9Confident87.9Confident36 Ų3655 Ų5525%0.25230%0.295SS..  trans-65.7142.5174.9640000110.9Q86 R87 A88S84-Q86 PolarHBondContact O-N 2.98Å; S84-Q86 VanDerWaalsContact O-N 3.14Å; S84-R87 WeakPolarHBondContact O-CB 3.48Å; S84-R87 PolarHBondContact O-N 3.41Å; S84-R87 WeakPolarHBondContact OG-CB 3.49Å; S84-R87 PolarHBondContact OG-N 3.32Å; S84-A88 PolarHBondContact O-N 3.26Å
85F88.4Confident87.9Confident23 Ų2358 Ų5810%0.10131%0.312CS..Hα-helixtrans-44.2-46172.6163.7-107.9000113.2F75 R87 A88 A89 P96 L134 V139 F140 W225F75-F85 HydrophobicContact CD1-CD2 4.46Å; F75-F85 HydrophobicContact CD1-CE2 4.19Å; F75-F85 AromaticContact CE1-CD2 3.71Å; F75-F85 HydrophobicContact CE1-CD2 3.71Å; F75-F85 AromaticContact CE1-CE2 3.85Å; F75-F85 HydrophobicContact CE1-CE2 3.85Å; F75-F85 AromaticContact CZ-CD2 3.87Å; F75-F85 HydrophobicContact CZ-CD2 3.87Å; F75-F85 HydrophobicContact CZ-CE2 4.04Å; F85-R87 VanDerWaalsContact C-N 3.34Å; F85-R87 PolarHBondContact O-N 2.97Å; F85-A88 PolarHBondContact O-N 3.04Å; F85-A89 HydrophobicContact CE2-CB 4.46Å; F85-A89 WeakPolarHBondContact O-CB 3.39Å; F85-A89 PolarHBondContact O-N 3.44Å; F85-P96 HydrophobicContact CE1-CB 3.97Å; F85-P96 HydrophobicContact CZ-CB 4.39Å; F85-L134 HydrophobicContact CE2-CD2 3.94Å; F85-L134 HydrophobicContact CE2-CG 4.27Å; F85-L134 HydrophobicContact CZ-CD2 3.52Å; F85-L134 HydrophobicContact CZ-CG 3.87Å; F85-V139 HydrophobicContact CE2-CG2 4.43Å; F85-V139 HydrophobicContact CZ-CG2 4.21Å; F85-F140 HydrophobicContact CB-CE1 4.31Å; F85-F140 HydrophobicContact CB-CZ 4.2Å; F85-F140 AromaticContact CD1-CE1 3.76Å; F85-F140 HydrophobicContact CD1-CE1 3.76Å; F85-F140 AromaticContact CD1-CZ 3.97Å; F85-F140 HydrophobicContact CD1-CZ 3.97Å; F85-F140 HydrophobicContact CD2-CD1 4.49Å; F85-F140 AromaticContact CD2-CE1 3.57Å; F85-F140 HydrophobicContact CD2-CE1 3.57Å; F85-F140 HydrophobicContact CD2-CZ 4.29Å; F85-F140 AromaticContact CE1-CE1 3.89Å; F85-F140 HydrophobicContact CE1-CE1 3.89Å; F85-F140 HydrophobicContact CE1-CZ 4.43Å; F85-F140 HydrophobicContact CE2-CD1 4.37Å; F85-F140 AromaticContact CE2-CE1 3.7Å; F85-F140 HydrophobicContact CE2-CE1 3.7Å; F85-F140 AromaticContact CG-CE1 3.59Å; F85-F140 HydrophobicContact CG-CE1 3.59Å; F85-F140 AromaticContact CG-CZ 3.88Å; F85-F140 HydrophobicContact CG-CZ 3.88Å; F85-F140 AromaticContact CZ-CE1 3.84Å; F85-F140 HydrophobicContact CZ-CE1 3.84Å; F85-W225 AromaticContact CD2-CH2 3.97Å; F85-W225 HydrophobicContact CD2-CH2 3.97Å; F85-W225 HydrophobicContact CE2-CH2 4.05Å
86Q87.9Confident87.9Confident85 Ų8559.4 Ų59.440%0.39732%0.321SS..Hα-helixtrans-55.9-47-180178.5177.5-17.300112.2S84 A89 I90 P96S84-Q86 PolarHBondContact O-N 2.98Å; S84-Q86 VanDerWaalsContact O-N 3.14Å; Q86-A89 PolarHBondContact O-N 3.29Å; Q86-I90 HydrophobicContact CG-CD1 4.01Å; Q86-I90 WeakPolarHBondContact O-CG1 3.39Å; Q86-I90 PolarHBondContact O-N 3.1Å; Q86-P96 HydrophobicContact CG-CG 4.01Å
87R88.1Confident87.9Confident155 Ų15557.9 Ų57.959%0.58532%0.316SS*.Hα-helixtrans-62.7-49.2178.7-179.6176.9173.1161.60.3111.3S84 F85 A89 I90 E91S84-R87 WeakPolarHBondContact O-CB 3.48Å; S84-R87 PolarHBondContact O-N 3.41Å; S84-R87 WeakPolarHBondContact OG-CB 3.49Å; S84-R87 PolarHBondContact OG-N 3.32Å; F85-R87 VanDerWaalsContact C-N 3.34Å; F85-R87 PolarHBondContact O-N 2.97Å; R87-A89 VanDerWaalsContact C-N 3.28Å; R87-A89 PolarHBondContact O-N 3.17Å; R87-I90 PolarHBondContact O-N 3.44Å; R87-E91 HydrophobicContact CG-CG 4.46Å; R87-E91 WeakPolarHBondContact CG-OE1 3.5Å; R87-E91 IonicContact CZ-OE1 3.72Å; R87-E91 IonicContact NE-OE1 2.72Å; R87-E91 PolarHBondContact NE-OE1 3Å; R87-E91 IonicContact NH2-OE1 2.69Å; R87-E91 PolarHBondContact NH2-OE1 3.36Å; R87-E91 WeakPolarHBondContact O-CG 3.46Å; R87-E91 PolarHBondContact O-N 3.45Å
88A90.8Very high87.9Confident20 Ų2060.1 Ų60.117%0.16533%0.325CS..Hα-helixtrans-61.5-36.2-18000000112.5F75 S84 F85 Q92F75-A88 HydrophobicContact CE2-CB 4.39Å; F75-A88 HydrophobicContact CZ-CB 3.85Å; S84-A88 PolarHBondContact O-N 3.26Å; F85-A88 PolarHBondContact O-N 3.04Å; A88-Q92 WeakPolarHBondContact O-CG 3.31Å; A88-Q92 PolarHBondContact O-N 2.97Å; A88-Q92 PolarHBondContact O-NE2 3.17Å
89A93.4Very high88Confident0 Ų059.6 Ų59.60%032%0.324CS..Hα-helixtrans-66.2-46.5174.700000112.5F75 F85 Q86 R87 E91 Q92 G93 R94 P96 L134F75-A89 HydrophobicContact CE2-CB 4.05Å; F85-A89 HydrophobicContact CE2-CB 4.46Å; F85-A89 WeakPolarHBondContact O-CB 3.39Å; F85-A89 PolarHBondContact O-N 3.44Å; Q86-A89 PolarHBondContact O-N 3.29Å; R87-A89 VanDerWaalsContact C-N 3.28Å; R87-A89 PolarHBondContact O-N 3.17Å; A89-E91 VanDerWaalsContact C-N 3.34Å; A89-E91 PolarHBondContact O-N 3.44Å; A89-Q92 CarbonylContact O-C 3.51Å; A89-Q92 PolarHBondContact O-N 2.94Å; A89-Q92 VanDerWaalsContact O-N 3.12Å; A89-G93 PolarHBondContact O-N 2.88Å; A89-R94 HydrophobicContact CB-CB 4.21Å; A89-R94 VanDerWaalsContact O-CB 3.29Å; A89-R94 WeakPolarHBondContact O-CB 3.42Å; A89-R94 PolarHBondContact O-N 3.39Å; A89-P96 HydrophobicContact CB-CB 3.65Å; A89-P96 HydrophobicContact CB-CG 3.8Å; A89-L134 HydrophobicContact CB-CD2 3.67Å
90I93.6Very high88.4Confident97 Ų9761.6 Ų61.650%0.49733%0.333SS..Hα-helixtrans-61.6-43.5177.2-68.4165.6000110.9Q86 R87 Q92 G93 P96Q86-I90 HydrophobicContact CG-CD1 4.01Å; Q86-I90 WeakPolarHBondContact O-CG1 3.39Å; Q86-I90 PolarHBondContact O-N 3.1Å; R87-I90 PolarHBondContact O-N 3.44Å; I90-Q92 PolarHBondContact O-N 2.93Å; I90-G93 PolarHBondContact O-N 3.36Å; I90-P96 HydrophobicContact CD1-CG 4.4Å; I90-P96 HydrophobicContact CG1-CG 3.9Å
91E92.9Very high88.9Confident124 Ų12461.4 Ų61.458%0.57934%0.335SS*.Hα-helixtrans-61.6-26.9177.2-73.5171.717700112.4R87 A89 G93R87-E91 HydrophobicContact CG-CG 4.46Å; R87-E91 WeakPolarHBondContact CG-OE1 3.5Å; R87-E91 IonicContact CZ-OE1 3.72Å; R87-E91 IonicContact NE-OE1 2.72Å; R87-E91 PolarHBondContact NE-OE1 3Å; R87-E91 IonicContact NH2-OE1 2.69Å; R87-E91 PolarHBondContact NH2-OE1 3.36Å; R87-E91 WeakPolarHBondContact O-CG 3.46Å; R87-E91 PolarHBondContact O-N 3.45Å; A89-E91 VanDerWaalsContact C-N 3.34Å; A89-E91 PolarHBondContact O-N 3.44Å; E91-G93 VanDerWaalsContact C-N 3.31Å
92Q94.4Very high89.8Confident67 Ų6761.3 Ų61.331%0.31333%0.332SS..THydrogen-bonded Turntrans-88.79.4173.5-69.7174.649.300113.6F75 N76 A88 A89 I90 R94F75-Q92 VanDerWaalsContact CD2-OE1 3.29Å; N76-Q92 PolarHBondContact O-NE2 2.88Å; A88-Q92 WeakPolarHBondContact O-CG 3.31Å; A88-Q92 PolarHBondContact O-N 2.97Å; A88-Q92 PolarHBondContact O-NE2 3.17Å; A89-Q92 CarbonylContact O-C 3.51Å; A89-Q92 PolarHBondContact O-N 2.94Å; A89-Q92 VanDerWaalsContact O-N 3.12Å; I90-Q92 PolarHBondContact O-N 2.93Å; Q92-R94 VanDerWaalsContact C-N 3.28Å; Q92-R94 HydrophobicContact CB-CG 4.08Å; Q92-R94 PolarHBondContact O-N 2.74Å
93G95.4Very high91.2Very high72 Ų7262.6 Ų62.674%0.74233%0.332SS*.THydrogen-bonded Turntrans68.924.7-179.800000113.9A89 I90 E91A89-G93 PolarHBondContact O-N 2.88Å; I90-G93 PolarHBondContact O-N 3.36Å; E91-G93 VanDerWaalsContact C-N 3.31Å
94R94.8Very high92.5Very high35 Ų3563 Ų6313%0.13233%0.327CS..  trans-97.2162.8179.8-54.9-63.3-66-90.43.6111.6P73 A89 Q92 P96 L134 E135P73-R94 PolarHBondContact O-NH1 2.96Å; A89-R94 HydrophobicContact CB-CB 4.21Å; A89-R94 VanDerWaalsContact O-CB 3.29Å; A89-R94 WeakPolarHBondContact O-CB 3.42Å; A89-R94 PolarHBondContact O-N 3.39Å; Q92-R94 VanDerWaalsContact C-N 3.28Å; Q92-R94 HydrophobicContact CB-CG 4.08Å; Q92-R94 PolarHBondContact O-N 2.74Å; R94-P96 WeakPolarHBondContact O-CD 3.33Å; R94-L134 HydrophobicContact CB-CD2 3.95Å; R94-E135 WeakPolarHBondContact CA-OE1 3.42Å; R94-E135 WeakPolarHBondContact CB-OE1 3.2Å; R94-E135 IonicContact CZ-OE1 3.97Å; R94-E135 IonicContact CZ-OE2 2.68Å; R94-E135 VanDerWaalsContact CZ-OE2 3.29Å; R94-E135 IonicContact NE-OE1 3.23Å; R94-E135 PolarHBondContact NE-OE1 3.18Å; R94-E135 IonicContact NE-OE2 2.98Å; R94-E135 PolarHBondContact NE-OE2 3.13Å; R94-E135 VanDerWaalsContact NE-OE2 3.12Å; R94-E135 IonicContact NH2-OE1 3.1Å; R94-E135 IonicContact NH2-OE2 2.69Å; R94-E135 PolarHBondContact NH2-OE2 2.84Å
95E95.1Very high93.4Very high139 Ų13967.1 Ų67.165%0.6534%0.337SS*.  trans-103.390.6173.8-170.3-172.2164.900110.3L134 E135E95-L134 WeakPolarHBondContact O-CA 3.5Å; E95-E135 HydrophobicContact CB-CG 4.23Å; E95-E135 PolarHBondContact N-OE1 3.22Å; E95-E135 PolarHBondContact O-N 3.08Å
96P95.4Very high93.8Very high28 Ų2867.4 Ų67.418%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-77.7144.2178.531.4-35.3000112.1F85 Q86 A89 I90 R94 A133 L134F85-P96 HydrophobicContact CE1-CB 3.97Å; F85-P96 HydrophobicContact CZ-CB 4.39Å; Q86-P96 HydrophobicContact CG-CG 4.01Å; A89-P96 HydrophobicContact CB-CB 3.65Å; A89-P96 HydrophobicContact CB-CG 3.8Å; I90-P96 HydrophobicContact CD1-CG 4.4Å; I90-P96 HydrophobicContact CG1-CG 3.9Å; R94-P96 WeakPolarHBondContact O-CD 3.33Å; P96-A133 WeakPolarHBondContact CA-O 3.3Å; P96-L134 HydrophobicContact CB-CD2 4.33Å
97S94.2Very high94.3Very high46 Ų4667.8 Ų67.832%0.32235%0.353SS..EExtended strand (participates in β ladder)trans-132.7152.6156.549.60000108.8G132 A133S97-G132 CarbonylContact O-C 3.51Å; S97-A133 PolarHBondContact N-O 3.23Å; S97-A133 PolarHBondContact O-N 3.21Å; S97-A133 VanDerWaalsContact O-O 3.14Å; S97-A133 WeakPolarHBondContact OG-CB 3.46Å
98W93Very high94.7Very high64 Ų6465.9 Ų65.924%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-152165.6179.767.2-87000109.3F100 W131 N160W98-F100 HydrophobicContact CH2-CD2 4.47Å; W98-F100 AromaticContact CH2-CE2 3.71Å; W98-F100 HydrophobicContact CH2-CE2 3.71Å; W98-F100 AromaticContact CH2-CZ 3.9Å; W98-F100 HydrophobicContact CH2-CZ 3.9Å; W98-F100 HydrophobicContact CZ3-CD1 4.43Å; W98-F100 AromaticContact CZ3-CD2 3.86Å; W98-F100 HydrophobicContact CZ3-CD2 3.86Å; W98-F100 AromaticContact CZ3-CE1 3.97Å; W98-F100 HydrophobicContact CZ3-CE1 3.97Å; W98-F100 AromaticContact CZ3-CE2 3.38Å; W98-F100 HydrophobicContact CZ3-CE2 3.38Å; W98-F100 HydrophobicContact CZ3-CG 4.38Å; W98-F100 AromaticContact CZ3-CZ 3.43Å; W98-F100 HydrophobicContact CZ3-CZ 3.43Å; W98-F100 VanDerWaalsContact CZ3-CZ 3.43Å; W98-W131 CarbonylContact C-O 3.57Å; W98-W131 WeakPolarHBondContact CA-O 3.37Å; W98-W131 VanDerWaalsContact CB-O 3.3Å; W98-W131 WeakPolarHBondContact CB-O 3.11Å; W98-N160 WeakPolarHBondContact CZ2-O 3.39Å
99G92Very high95Very high15 Ų1566.9 Ų66.916%0.15536%0.357CS..EExtended strand (participates in β ladder)trans-170.8155.8174.500000112.6G130 W131G99-G130 CarbonylContact O-C 3.58Å; G99-G130 WeakPolarHBondContact O-CA 3.39Å; G99-W131 PolarHBondContact N-O 2.97Å; G99-W131 VanDerWaalsContact O-CD1 3.26Å; G99-W131 PolarHBondContact O-N 3.45Å
100F93.2Very high95.1Very high42 Ų4269.6 Ų69.618%0.18437%0.374CS..EExtended strand (participates in β ladder)trans-80.9144.7170.2-58.8-64.8000110.4W98 K103 I128 T129 L158 E159 F163W98-F100 HydrophobicContact CH2-CD2 4.47Å; W98-F100 AromaticContact CH2-CE2 3.71Å; W98-F100 HydrophobicContact CH2-CE2 3.71Å; W98-F100 AromaticContact CH2-CZ 3.9Å; W98-F100 HydrophobicContact CH2-CZ 3.9Å; W98-F100 HydrophobicContact CZ3-CD1 4.43Å; W98-F100 AromaticContact CZ3-CD2 3.86Å; W98-F100 HydrophobicContact CZ3-CD2 3.86Å; W98-F100 AromaticContact CZ3-CE1 3.97Å; W98-F100 HydrophobicContact CZ3-CE1 3.97Å; W98-F100 AromaticContact CZ3-CE2 3.38Å; W98-F100 HydrophobicContact CZ3-CE2 3.38Å; W98-F100 HydrophobicContact CZ3-CG 4.38Å; W98-F100 AromaticContact CZ3-CZ 3.43Å; W98-F100 HydrophobicContact CZ3-CZ 3.43Å; W98-F100 VanDerWaalsContact CZ3-CZ 3.43Å; F100-K103 HydrophobicContact CB-CG 4.47Å; F100-K103 VanDerWaalsContact CG-CE 3.43Å; F100-I128 HydrophobicContact CD1-CG2 3.49Å; F100-I128 VanDerWaalsContact CD1-CG2 3.49Å; F100-I128 HydrophobicContact CE1-CG2 3.72Å; F100-I128 HydrophobicContact CG-CG2 4.42Å; F100-T129 CarbonylContact C-O 3.59Å; F100-T129 WeakPolarHBondContact CA-O 3.5Å; F100-L158 HydrophobicContact CE1-CD1 4.5Å; F100-L158 HydrophobicContact CE1-CD2 4.45Å; F100-L158 HydrophobicContact CE2-CB 4.05Å; F100-L158 HydrophobicContact CE2-CD2 4.45Å; F100-L158 HydrophobicContact CZ-CB 4.13Å; F100-L158 HydrophobicContact CZ-CD1 4.29Å; F100-L158 HydrophobicContact CZ-CD2 3.74Å; F100-L158 HydrophobicContact CZ-CG 4.29Å; F100-E159 WeakPolarHBondContact CE2-O 3.15Å; F100-F163 HydrophobicContact CE1-CE2 4.15Å; F100-F163 AromaticContact CE1-CZ 3.8Å; F100-F163 HydrophobicContact CE1-CZ 3.8Å
101T93.2Very high95.2Very high52 Ų5273.5 Ų73.532%0.31939%0.39SS..EExtended strand (participates in β ladder)trans-103-50.7176-47.70000110.3T129 Y194T101-T129 PolarHBondContact N-O 3.01Å; T101-Y194 HydrophobicContact CG2-CD2 4.42Å; T101-Y194 HydrophobicContact CG2-CE2 3.46Å; T101-Y194 VanDerWaalsContact CG2-CE2 3.46Å; T101-Y194 WeakPolarHBondContact CG2-OH 3.4Å; T101-Y194 PolarHBondContact OG1-OH 2.88Å
102E94.9Very high95.3Very high93 Ų9370.2 Ų70.244%0.43538%0.379SS..EExtended strand (participates in β ladder)trans-138.4146.6179-62175.9-17900109.8N104 R127 I128 T129E102-N104 PolarHBondContact OE2-ND2 2.91Å; E102-R127 IonicContact OE2-NH1 3.63Å; E102-I128 WeakPolarHBondContact O-CA 3.43Å; E102-T129 WeakPolarHBondContact CB-OG1 3.43Å; E102-T129 PolarHBondContact N-OG1 2.8Å; E102-T129 VanDerWaalsContact N-OG1 3.16Å; E102-T129 PolarHBondContact O-N 3.14Å
103K96.5Very high95.5Very high73 Ų7367.1 Ų67.132%0.31736%0.364SS..EExtended strand (participates in β ladder)trans-134.5107.4170.2-54179.4-175.5179.70106.5F100 I128 I155F100-K103 HydrophobicContact CB-CG 4.47Å; F100-K103 VanDerWaalsContact CG-CE 3.43Å; K103-I128 HydrophobicContact CG-CG2 4.23Å; K103-I155 HydrophobicContact CB-CD1 4.18Å; K103-I155 HydrophobicContact CB-CG1 4.35Å; K103-I155 HydrophobicContact CB-CG2 3.65Å; K103-I155 HydrophobicContact CD-CG2 3.95Å; K103-I155 HydrophobicContact CG-CG2 4.4Å
104N96.6Very high95.6Very high56 Ų5665.8 Ų65.830%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-143.2176.5-176.556.238.2000111.8E102 Y126 R127E102-N104 PolarHBondContact OE2-ND2 2.91Å; N104-Y126 CarbonylContact O-C 3.53Å; N104-Y126 WeakPolarHBondContact O-CA 3.42Å; N104-R127 PolarHBondContact N-O 3.14Å; N104-R127 PolarHBondContact O-N 3.03Å; N104-R127 WeakPolarHBondContact OD1-CB 3.46Å; N104-R127 PolarHBondContact OD1-O 2.89Å
105R97.8Very high95.7Very high124 Ų12466.2 Ų66.247%0.46835%0.354SS..EExtended strand (participates in β ladder)trans-99.2145.7167.3-68.5174.7174.4-111.8-3.1108.7E124 L125 Y126R105-E124 IonicContact NH1-OE2 2.71Å; R105-E124 PolarHBondContact NH1-OE2 2.91Å; R105-L125 CarbonylContact C-O 3.52Å; R105-L125 VanDerWaalsContact CA-O 3.31Å; R105-L125 WeakPolarHBondContact CA-O 3.45Å; R105-Y126 HydrophobicContact CG-CD1 3.9Å; R105-Y126 HydrophobicContact CG-CE1 4.07Å
106T97.8Very high95.9Very high28 Ų2859.8 Ų59.817%0.17232%0.324CS..EExtended strand (participates in β ladder)trans-133.7140.2174.9-175.10000110.5D108 E124 L125 R127 Y145T106-D108 PolarHBondContact OG1-N 2.78Å; T106-D108 VanDerWaalsContact OG1-N 3.11Å; T106-E124 CarbonylContact O-C 3.56Å; T106-E124 VanDerWaalsContact O-CA 3.27Å; T106-E124 WeakPolarHBondContact O-CA 3.32Å; T106-L125 HydrophobicContact CG2-CB 4.39Å; T106-L125 PolarHBondContact N-O 3.03Å; T106-L125 PolarHBondContact O-N 2.81Å; T106-R127 HydrophobicContact CG2-CB 3.85Å; T106-Y145 HydrophobicContact CG2-CD1 4.39Å; T106-Y145 HydrophobicContact CG2-CE1 4.13Å
107S97.7Very high96Very high94 Ų9460.6 Ų60.666%0.65733%0.326SS*.  trans-96.9-3.2168.554.20000112.8I109S107-I109 PolarHBondContact O-N 3.16Å
108D96.7Very high96Very high114 Ų11462.3 Ų62.361%0.6134%0.343SS*.  trans-77.999.1170.3-175.621.4000109.6T106 P110T106-D108 PolarHBondContact OG1-N 2.78Å; T106-D108 VanDerWaalsContact OG1-N 3.11Å; D108-P110 WeakPolarHBondContact O-CD 3.43Å
109I95.9Very high96.1Very high42 Ų4263.6 Ų63.622%0.21536%0.358CS..  trans-117.982.6-177.3-54.8174.5000108S107 L113 I117 L125S107-I109 PolarHBondContact O-N 3.16Å; I109-L113 HydrophobicContact CG2-CB 3.91Å; I109-I117 HydrophobicContact CG2-CD1 4.15Å; I109-L125 HydrophobicContact CD1-CD1 4.36Å; I109-L125 HydrophobicContact CD1-CG 4.05Å; I109-L125 HydrophobicContact CG1-CD1 4.05Å; I109-L125 HydrophobicContact CG1-CG 4.14Å; I109-L125 HydrophobicContact CG2-CD1 4.07Å
110P95.8Very high96.3Very high57 Ų5765.3 Ų65.337%0.3737%0.365SS..  trans-64.1164.3174.426.7-35.1000111.3D108 T112 L113D108-P110 WeakPolarHBondContact O-CD 3.43Å; P110-T112 PolarHBondContact O-N 2.71Å; P110-L113 HydrophobicContact CG-CD1 4.24Å; P110-L113 HydrophobicContact CG-CG 4.13Å; P110-L113 PolarHBondContact O-N 3.41Å
111E96.1Very high96.5Very high179 Ų17968.5 Ų68.584%0.83639%0.39SS*.G310 helixtrans-51.5-35.9-178.1-173.3-178.9179.700113.3L113 A114E111-L113 PolarHBondContact O-N 2.85Å; E111-L113 VanDerWaalsContact O-N 3.13Å; E111-A114 WeakPolarHBondContact O-CB 3.37Å; E111-A114 PolarHBondContact O-N 2.77Å
112T95.7Very high96.6Very high55 Ų5567 Ų6734%0.33738%0.381SS..G310 helixtrans-53.8-32.9175.2-52.20000113.1P110 P115 E207 I220P110-T112 PolarHBondContact O-N 2.71Å; T112-P115 WeakPolarHBondContact O-CD 3.44Å; T112-E207 HydrophobicContact CG2-CG 4.46Å; T112-E207 WeakPolarHBondContact CG2-OE1 3.17Å; T112-I220 WeakPolarHBondContact O-CD1 3.49Å
113L98Very high96.7Very high1 Ų168.2 Ų68.21%0.00540%0.395CS..G310 helixtrans-94-7.2-177.8-57.2-173.1000113.7I109 P110 E111 P115 L116 L125 Y145 I220I109-L113 HydrophobicContact CG2-CB 3.91Å; P110-L113 HydrophobicContact CG-CD1 4.24Å; P110-L113 HydrophobicContact CG-CG 4.13Å; P110-L113 PolarHBondContact O-N 3.41Å; E111-L113 PolarHBondContact O-N 2.85Å; E111-L113 VanDerWaalsContact O-N 3.13Å; L113-P115 VanDerWaalsContact C-N 3.25Å; L113-P115 VanDerWaalsContact O-N 3.13Å; L113-L116 HydrophobicContact CB-CD1 4.49Å; L113-L116 HydrophobicContact CD2-CD1 4.32Å; L113-L116 WeakPolarHBondContact O-CB 3.29Å; L113-L116 PolarHBondContact O-N 3.05Å; L113-L125 HydrophobicContact CB-CD1 3.91Å; L113-L125 HydrophobicContact CD1-CD1 3.82Å; L113-L125 HydrophobicContact CG-CD1 4.46Å; L113-Y145 HydrophobicContact CD1-CD1 3.4Å; L113-Y145 HydrophobicContact CD1-CD2 4.08Å; L113-Y145 HydrophobicContact CD1-CE1 3.54Å; L113-Y145 HydrophobicContact CD1-CE2 4.23Å; L113-Y145 HydrophobicContact CD1-CG 3.65Å; L113-Y145 HydrophobicContact CD2-CD1 4.46Å; L113-Y145 HydrophobicContact CD2-CD2 3.75Å; L113-Y145 HydrophobicContact CD2-CE2 4.27Å; L113-Y145 HydrophobicContact CD2-CG 3.85Å; L113-Y145 HydrophobicContact CG-CG 4.43Å; L113-I220 HydrophobicContact CD2-CB 4.14Å; L113-I220 HydrophobicContact CD2-CD1 4.1Å; L113-I220 HydrophobicContact CD2-CG2 3.98Å
114A97.4Very high96.8Very high44 Ų4467.9 Ų67.936%0.36440%0.395SS..G310 helixtrans-50.5-36.4178.900000114.2E111 L116 I117 A118E111-A114 WeakPolarHBondContact O-CB 3.37Å; E111-A114 PolarHBondContact O-N 2.77Å; A114-L116 PolarHBondContact O-N 3.26Å; A114-L116 VanDerWaalsContact O-N 3.15Å; A114-I117 VanDerWaalsContact O-CG1 3.32Å; A114-I117 WeakPolarHBondContact O-CG1 3.14Å; A114-I117 PolarHBondContact O-N 3.14Å; A114-I117 VanDerWaalsContact O-N 3.14Å; A114-A118 PolarHBondContact O-N 2.86Å
115P97.9Very high96.9Very high44 Ų4465.2 Ų65.229%0.28638%0.381SS..G310 helixtrans-58.1-26.7176.6-2736.8000115.1T112 L113 I117 I217T112-P115 WeakPolarHBondContact O-CD 3.44Å; L113-P115 VanDerWaalsContact C-N 3.25Å; L113-P115 VanDerWaalsContact O-N 3.13Å; P115-I117 VanDerWaalsContact C-N 3.27Å; P115-I117 PolarHBondContact O-N 3.4Å; P115-I217 HydrophobicContact CB-CB 4.06Å; P115-I217 HydrophobicContact CB-CG1 4.04Å; P115-I217 HydrophobicContact CB-CG2 4.19Å
116L98.3Very high96.9Very high4 Ų459.6 Ų59.62%0.02136%0.36CS..G310 helixtrans-71.3-21.6179.8-71.3168.6000113.5L113 A114 L125 N147 I217 V218 I220L113-L116 HydrophobicContact CB-CD1 4.49Å; L113-L116 HydrophobicContact CD2-CD1 4.32Å; L113-L116 WeakPolarHBondContact O-CB 3.29Å; L113-L116 PolarHBondContact O-N 3.05Å; A114-L116 PolarHBondContact O-N 3.26Å; A114-L116 VanDerWaalsContact O-N 3.15Å; L116-L125 HydrophobicContact CB-CD1 4.46Å; L116-L125 HydrophobicContact CB-CD2 4.14Å; L116-L125 HydrophobicContact CD1-CD1 3.95Å; L116-L125 HydrophobicContact CD1-CD2 4.49Å; L116-N147 PolarHBondContact O-ND2 2.98Å; L116-I217 HydrophobicContact CD2-CG2 3.94Å; L116-I217 HydrophobicContact CG-CG2 4.41Å; L116-V218 WeakPolarHBondContact CD2-O 3.46Å; L116-I220 HydrophobicContact CD1-CB 4.05Å; L116-I220 HydrophobicContact CD1-CD1 3.87Å; L116-I220 HydrophobicContact CD1-CG1 3.96Å; L116-I220 HydrophobicContact CD2-CD1 4.48Å; L116-I220 HydrophobicContact CD2-CG1 4.15Å; L116-I220 HydrophobicContact CG-CD1 3.73Å; L116-I220 HydrophobicContact CG-CG1 3.89Å
117I97.6Very high96.9Very high46 Ų4660.6 Ų60.624%0.23636%0.36CS..THydrogen-bonded Turntrans-113.70.9-178.562.4168.4000112.7I109 A114 P115 V119 T120 L125I109-I117 HydrophobicContact CG2-CD1 4.15Å; A114-I117 VanDerWaalsContact O-CG1 3.32Å; A114-I117 WeakPolarHBondContact O-CG1 3.14Å; A114-I117 PolarHBondContact O-N 3.14Å; A114-I117 VanDerWaalsContact O-N 3.14Å; P115-I117 VanDerWaalsContact C-N 3.27Å; P115-I117 PolarHBondContact O-N 3.4Å; I117-V119 PolarHBondContact O-N 2.68Å; I117-T120 WeakPolarHBondContact CA-O 3.43Å; I117-T120 CarbonylContact O-C 3.51Å; I117-L125 HydrophobicContact CG2-CD2 3.83Å
118A95.1Very high96.9Very high81 Ų8156.1 Ų56.167%0.66933%0.329SS*.SBendtrans-67.5-35.8-176.200000112.9A114A114-A118 PolarHBondContact O-N 2.86Å
119V93.8Very high96.9Very high91 Ų9150.8 Ų50.855%0.55230%0.3SS*.SBendtrans-93.4-44.9-179.1179.70000111.2I117 N216I117-V119 PolarHBondContact O-N 2.68Å; V119-N216 HydrophobicContact CG2-CB 4.37Å
120T96.2Very high96.9Very high52 Ų5248.8 Ų48.832%0.31929%0.29SS..SBendtrans-118.9102.6177.7-54.20000108.3I117 S122 N147 E149 V150I117-T120 WeakPolarHBondContact CA-O 3.43Å; I117-T120 CarbonylContact O-C 3.51Å; T120-S122 PolarHBondContact O-N 2.69Å; T120-N147 PolarHBondContact O-ND2 3.37Å; T120-E149 HydrophobicContact CG2-CB 3.67Å; T120-V150 HydrophobicContact CG2-CG2 4.33Å
121P96.8Very high96.8Very high109 Ų10948.4 Ų48.471%0.70828%0.282SS*.  trans-57.1136.6-179.7-26.635.4000112
122S97.1Very high96.7Very high19 Ų1939.9 Ų39.913%0.13324%0.242CC..  trans-146.6147.4171.2-178.20000109.8T120 E124 N147T120-S122 PolarHBondContact O-N 2.69Å; S122-E124 WeakPolarHBondContact CB-O 3.44Å; S122-E124 PolarHBondContact OG-N 3.45Å; S122-E124 PolarHBondContact OG-O 3.26Å; S122-N147 WeakPolarHBondContact CB-OD1 3.5Å
123T96.7Very high96.7Very high119 Ų11937.3 Ų37.373%0.7323%0.226SC*.SBendtrans-90.3-1117354.90000112.8
124E97.8Very high96.6Very high67 Ų6737.3 Ų37.331%0.31323%0.226SC..  trans-136.7151.5179.4-62.3-172.1123.800111.2R105 T106 S122 P148R105-E124 IonicContact NH1-OE2 2.71Å; R105-E124 PolarHBondContact NH1-OE2 2.91Å; T106-E124 CarbonylContact O-C 3.56Å; T106-E124 VanDerWaalsContact O-CA 3.27Å; T106-E124 WeakPolarHBondContact O-CA 3.32Å; S122-E124 WeakPolarHBondContact CB-O 3.44Å; S122-E124 PolarHBondContact OG-N 3.45Å; S122-E124 PolarHBondContact OG-O 3.26Å; E124-P148 WeakPolarHBondContact O-CD 3.38Å
125L98.7Very high96.5Very high0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-119.4149.9169.5-63.7176.6000109.5R105 T106 I109 L113 L116 I117 N147R105-L125 CarbonylContact C-O 3.52Å; R105-L125 VanDerWaalsContact CA-O 3.31Å; R105-L125 WeakPolarHBondContact CA-O 3.45Å; T106-L125 HydrophobicContact CG2-CB 4.39Å; T106-L125 PolarHBondContact N-O 3.03Å; T106-L125 PolarHBondContact O-N 2.81Å; I109-L125 HydrophobicContact CD1-CD1 4.36Å; I109-L125 HydrophobicContact CD1-CG 4.05Å; I109-L125 HydrophobicContact CG1-CD1 4.05Å; I109-L125 HydrophobicContact CG1-CG 4.14Å; I109-L125 HydrophobicContact CG2-CD1 4.07Å; L113-L125 HydrophobicContact CB-CD1 3.91Å; L113-L125 HydrophobicContact CD1-CD1 3.82Å; L113-L125 HydrophobicContact CG-CD1 4.46Å; L116-L125 HydrophobicContact CB-CD1 4.46Å; L116-L125 HydrophobicContact CB-CD2 4.14Å; L116-L125 HydrophobicContact CD1-CD1 3.95Å; L116-L125 HydrophobicContact CD1-CD2 4.49Å; I117-L125 HydrophobicContact CG2-CD2 3.83Å; L125-N147 HydrophobicContact CD2-CB 3.97Å
126Y98.5Very high96.2Very high6 Ų639.3 Ų39.32%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-65.7133.4158.3-65.3-45.9000108.8N104 R105 Y145 I146 P148 A151 G153 F154 I155N104-Y126 CarbonylContact O-C 3.53Å; N104-Y126 WeakPolarHBondContact O-CA 3.42Å; R105-Y126 HydrophobicContact CG-CD1 3.9Å; R105-Y126 HydrophobicContact CG-CE1 4.07Å; Y126-Y145 VanDerWaalsContact O-CA 3.25Å; Y126-Y145 WeakPolarHBondContact O-CA 3.29Å; Y126-I146 HydrophobicContact CD2-CB 4.43Å; Y126-I146 HydrophobicContact CD2-CG2 4.39Å; Y126-I146 PolarHBondContact N-O 2.89Å; Y126-I146 PolarHBondContact O-N 3.5Å; Y126-P148 HydrophobicContact CD1-CB 4.43Å; Y126-P148 HydrophobicContact CD2-CB 4.07Å; Y126-P148 HydrophobicContact CE1-CB 4.03Å; Y126-P148 HydrophobicContact CE2-CB 3.6Å; Y126-P148 HydrophobicContact CG-CB 4.48Å; Y126-A151 WeakPolarHBondContact CE2-O 3.47Å; Y126-G153 PolarHBondContact OH-N 3.39Å; Y126-G153 VanDerWaalsContact OH-N 3.08Å; Y126-F154 HydrophobicContact CD2-CB 4.11Å; Y126-F154 HydrophobicContact CE2-CB 3.89Å; Y126-I155 HydrophobicContact CD1-CD1 3.22Å; Y126-I155 HydrophobicContact CD1-CG1 3.78Å; Y126-I155 HydrophobicContact CD2-CG1 4.36Å; Y126-I155 HydrophobicContact CE1-CD1 3.76Å; Y126-I155 HydrophobicContact CE1-CG1 4.14Å; Y126-I155 HydrophobicContact CG-CD1 3.72Å; Y126-I155 HydrophobicContact CG-CG1 3.88Å
127R98.2Very high95.9Very high49 Ų4939.6 Ų39.619%0.18524%0.243CC..EExtended strand (participates in β ladder)trans-118.2115.1167.5177.2178.4179.6-101.45.1108.2E102 N104 T106 T129 E143 Y145E102-R127 IonicContact OE2-NH1 3.63Å; N104-R127 PolarHBondContact N-O 3.14Å; N104-R127 PolarHBondContact O-N 3.03Å; N104-R127 WeakPolarHBondContact OD1-CB 3.46Å; N104-R127 PolarHBondContact OD1-O 2.89Å; T106-R127 HydrophobicContact CG2-CB 3.85Å; R127-T129 HydrophobicContact CG-CG2 4.23Å; R127-E143 IonicContact CZ-OE2 3.65Å; R127-E143 VanDerWaalsContact CZ-OE2 3.27Å; R127-E143 IonicContact NE-OE2 3.68Å; R127-E143 PolarHBondContact NE-OE2 3.05Å; R127-E143 IonicContact NH2-OE1 3.42Å; R127-E143 PolarHBondContact NH2-OE1 3.43Å; R127-E143 VanDerWaalsContact NH2-OE1 3.07Å; R127-E143 IonicContact NH2-OE2 2.72Å; R127-E143 PolarHBondContact NH2-OE2 2.98Å; R127-Y145 HydrophobicContact CB-CD1 4.01Å; R127-Y145 HydrophobicContact CB-CE1 3.79Å; R127-Y145 HydrophobicContact CG-CD1 4.25Å; R127-Y145 HydrophobicContact CG-CE1 3.65Å; R127-Y145 PolarHBondContact NE-OH 2.94Å
128I97.6Very high95.7Very high0 Ų040 Ų400%024%0.243CC..EExtended strand (participates in β ladder)trans-113.4123178.9-59.394.9000107.8F100 E102 K103 E143 T144 I155 L158 F163F100-I128 HydrophobicContact CD1-CG2 3.49Å; F100-I128 VanDerWaalsContact CD1-CG2 3.49Å; F100-I128 HydrophobicContact CE1-CG2 3.72Å; F100-I128 HydrophobicContact CG-CG2 4.42Å; E102-I128 WeakPolarHBondContact O-CA 3.43Å; K103-I128 HydrophobicContact CG-CG2 4.23Å; I128-E143 CarbonylContact O-C 3.59Å; I128-E143 WeakPolarHBondContact O-CA 3.3Å; I128-T144 PolarHBondContact N-O 3.48Å; I128-T144 PolarHBondContact O-N 3.44Å; I128-I155 HydrophobicContact CD1-CG1 4.2Å; I128-I155 HydrophobicContact CG1-CG1 4.1Å; I128-L158 HydrophobicContact CD1-CD1 4.42Å; I128-L158 HydrophobicContact CG1-CD1 3.89Å; I128-L158 HydrophobicContact CG2-CD1 4.14Å; I128-F163 HydrophobicContact CB-CE1 4.24Å; I128-F163 HydrophobicContact CB-CZ 4.19Å; I128-F163 HydrophobicContact CD1-CE1 4.5Å; I128-F163 HydrophobicContact CG2-CE1 4.13Å; I128-F163 HydrophobicContact CG2-CZ 3.81Å
129T95.9Very high95.7Very high1 Ų136.3 Ų36.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-114.6153177.368.20000111F100 T101 E102 R127 Y141 H142 E143F100-T129 CarbonylContact C-O 3.59Å; F100-T129 WeakPolarHBondContact CA-O 3.5Å; T101-T129 PolarHBondContact N-O 3.01Å; E102-T129 WeakPolarHBondContact CB-OG1 3.43Å; E102-T129 PolarHBondContact N-OG1 2.8Å; E102-T129 VanDerWaalsContact N-OG1 3.16Å; E102-T129 PolarHBondContact O-N 3.14Å; R127-T129 HydrophobicContact CG-CG2 4.23Å; T129-Y141 VanDerWaalsContact CB-OH 3.28Å; T129-Y141 WeakPolarHBondContact CB-OH 3.37Å; T129-Y141 VanDerWaalsContact CG2-OH 3.26Å; T129-Y141 WeakPolarHBondContact CG2-OH 3.4Å; T129-H142 VanDerWaalsContact CA-O 3.25Å; T129-H142 WeakPolarHBondContact CA-O 3.15Å; T129-E143 HydrophobicContact CG2-CB 4.46Å; T129-E143 HydrophobicContact CG2-CG 4.08Å
130G95.1Very high95.8Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-173.8-170.7-179.500000113.1G99 Y141 H142G99-G130 CarbonylContact O-C 3.58Å; G99-G130 WeakPolarHBondContact O-CA 3.39Å; G130-Y141 WeakPolarHBondContact O-CA 3.18Å; G130-Y141 WeakPolarHBondContact O-CD2 2.97Å; G130-H142 VanDerWaalsContact CA-NE2 3.29Å; G130-H142 WeakPolarHBondContact CA-NE2 3.35Å; G130-H142 PolarHBondContact N-O 2.93Å; G130-H142 PolarHBondContact O-CD2 3.21Å; G130-H142 PolarHBondContact O-N 2.92Å
131W94.9Very high95.8Very high50 Ų5031 Ų3119%0.18918%0.176CC..EExtended strand (participates in β ladder)trans-145.3154.1-17656.3-82.2000111.3W98 G99 A133 K138 F140 Y194W98-W131 CarbonylContact C-O 3.57Å; W98-W131 WeakPolarHBondContact CA-O 3.37Å; W98-W131 VanDerWaalsContact CB-O 3.3Å; W98-W131 WeakPolarHBondContact CB-O 3.11Å; G99-W131 PolarHBondContact N-O 2.97Å; G99-W131 VanDerWaalsContact O-CD1 3.26Å; G99-W131 PolarHBondContact O-N 3.45Å; W131-A133 HydrophobicContact CE3-CB 3.91Å; W131-A133 HydrophobicContact CZ3-CB 3.63Å; W131-K138 HydrophobicContact CB-CD 4.43Å; W131-K138 HydrophobicContact CD2-CD 4.28Å; W131-K138 HydrophobicContact CD2-CG 4.34Å; W131-K138 HydrophobicContact CE3-CD 4.37Å; W131-K138 HydrophobicContact CE3-CG 3.93Å; W131-K138 HydrophobicContact CG-CD 4.31Å; W131-F140 VanDerWaalsContact CA-O 3.3Å; W131-F140 WeakPolarHBondContact CA-O 3.3Å; W131-Y194 HydrophobicContact CB-CD1 4.48Å; W131-Y194 HydrophobicContact CB-CE1 3.9Å; W131-Y194 AromaticContact CD1-CE1 3.4Å; W131-Y194 VanDerWaalsContact CD1-CE1 3.4Å; W131-Y194 AromaticContact CD1-CZ 3.77Å; W131-Y194 VanDerWaalsContact CD1-OH 3.22Å; W131-Y194 AromaticContact CG-CE1 3.79Å; W131-Y194 HydrophobicContact CG-CE1 3.79Å; W131-Y194 PolarHBondContact NE1-OH 3.41Å
132G94.4Very high95.8Very high0 Ų026.4 Ų26.40%015%0.145CC..EExtended strand (participates in β ladder)trans-121.9147.2164.500000110.9S97 K138 V139 F140S97-G132 CarbonylContact O-C 3.51Å; G132-K138 CarbonylContact O-C 3.48Å; G132-K138 WeakPolarHBondContact O-CA 3.47Å; G132-V139 WeakPolarHBondContact O-CG2 3.25Å; G132-V139 PolarHBondContact O-N 3.39Å; G132-F140 VanDerWaalsContact CA-CE1 3.48Å; G132-F140 PolarHBondContact N-O 3.16Å; G132-F140 PolarHBondContact O-N 2.87Å
133A95.4Very high95.8Very high1 Ų126.4 Ų26.41%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-135.7152.7179.700000110.7P96 S97 W131 H137 K138P96-A133 WeakPolarHBondContact CA-O 3.3Å; S97-A133 PolarHBondContact N-O 3.23Å; S97-A133 PolarHBondContact O-N 3.21Å; S97-A133 VanDerWaalsContact O-O 3.14Å; S97-A133 WeakPolarHBondContact OG-CB 3.46Å; W131-A133 HydrophobicContact CE3-CB 3.91Å; W131-A133 HydrophobicContact CZ3-CB 3.63Å; A133-H137 CarbonylContact C-O 3.55Å; A133-H137 WeakPolarHBondContact CA-O 3.35Å; A133-H137 VanDerWaalsContact CB-O 3.3Å; A133-H137 WeakPolarHBondContact CB-O 3.38Å; A133-K138 HydrophobicContact CB-CB 4.5Å; A133-K138 HydrophobicContact CB-CG 4.21Å
134L95.3Very high95.8Very high1 Ų120.8 Ų20.81%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-124.3125.9172.2-61.3171.8000107.9Q72 F75 F85 A89 R94 E95 P96 G136 H137 V139Q72-L134 PolarHBondContact NE2-O 3.27Å; F75-L134 HydrophobicContact CB-CD1 3.6Å; F75-L134 HydrophobicContact CD2-CD1 4.02Å; F75-L134 HydrophobicContact CG-CD1 3.85Å; F85-L134 HydrophobicContact CE2-CD2 3.94Å; F85-L134 HydrophobicContact CE2-CG 4.27Å; F85-L134 HydrophobicContact CZ-CD2 3.52Å; F85-L134 HydrophobicContact CZ-CG 3.87Å; A89-L134 HydrophobicContact CB-CD2 3.67Å; R94-L134 HydrophobicContact CB-CD2 3.95Å; E95-L134 WeakPolarHBondContact O-CA 3.5Å; P96-L134 HydrophobicContact CB-CD2 4.33Å; L134-G136 PolarHBondContact O-N 2.6Å; L134-H137 PolarHBondContact N-O 3.16Å; L134-H137 WeakPolarHBondContact O-CB 3.3Å; L134-H137 PolarHBondContact O-N 3.19Å; L134-V139 HydrophobicContact CB-CG1 4.36Å; L134-V139 HydrophobicContact CD1-CG1 4.25Å; L134-V139 HydrophobicContact CD1-CG2 4.18Å; L134-V139 HydrophobicContact CG-CG1 4.35Å; L134-V139 HydrophobicContact CG-CG2 4.01Å
135E94.3Very high95.8Very high64 Ų6418.6 Ų18.630%0.29910%0.098SC..THydrogen-bonded Turntrans50.644.6-177-58.373.6-14800111.6Q72 R94 E95 H137Q72-E135 PolarHBondContact OE1-OE2 2.79Å; R94-E135 WeakPolarHBondContact CA-OE1 3.42Å; R94-E135 WeakPolarHBondContact CB-OE1 3.2Å; R94-E135 IonicContact CZ-OE1 3.97Å; R94-E135 IonicContact CZ-OE2 2.68Å; R94-E135 VanDerWaalsContact CZ-OE2 3.29Å; R94-E135 IonicContact NE-OE1 3.23Å; R94-E135 PolarHBondContact NE-OE1 3.18Å; R94-E135 IonicContact NE-OE2 2.98Å; R94-E135 PolarHBondContact NE-OE2 3.13Å; R94-E135 VanDerWaalsContact NE-OE2 3.12Å; R94-E135 IonicContact NH2-OE1 3.1Å; R94-E135 IonicContact NH2-OE2 2.69Å; R94-E135 PolarHBondContact NH2-OE2 2.84Å; E95-E135 HydrophobicContact CB-CG 4.23Å; E95-E135 PolarHBondContact N-OE1 3.22Å; E95-E135 PolarHBondContact O-N 3.08Å; E135-H137 PolarHBondContact O-N 3.24Å; E135-H137 VanDerWaalsContact O-N 3.1Å
136G91.6Very high95.8Very high65 Ų6518.6 Ų18.667%0.6710%0.098SC*.THydrogen-bonded Turntrans71.1-2-178.200000115.7L134L134-G136 PolarHBondContact O-N 2.6Å
137H92.5Very high95.8Very high11 Ų1118.3 Ų18.35%0.05110%0.097CC..EExtended strand (participates in β ladder)trans-90.7111.1173.3-177.341.9000110.5F61 A133 L134 E135 V139 R226 E228F61-H137 AromaticContact CE2-CE1 3.39Å; F61-H137 WeakPolarHBondContact CE2-CE1 3.24Å; F61-H137 AromaticContact CE2-NE2 3.66Å; F61-H137 AromaticContact CZ-CE1 3.81Å; F61-H137 AromaticContact CZ-NE2 3.77Å; A133-H137 CarbonylContact C-O 3.55Å; A133-H137 WeakPolarHBondContact CA-O 3.35Å; A133-H137 VanDerWaalsContact CB-O 3.3Å; A133-H137 WeakPolarHBondContact CB-O 3.38Å; L134-H137 PolarHBondContact N-O 3.16Å; L134-H137 WeakPolarHBondContact O-CB 3.3Å; L134-H137 PolarHBondContact O-N 3.19Å; E135-H137 PolarHBondContact O-N 3.24Å; E135-H137 VanDerWaalsContact O-N 3.1Å; H137-V139 WeakPolarHBondContact O-CG1 3.27Å; H137-V139 PolarHBondContact O-N 2.64Å; H137-V139 VanDerWaalsContact O-N 3.17Å; H137-R226 PolarHBondContact CE1-NE 2.84Å; H137-R226 PolarHBondContact NE2-NE 2.99Å; H137-E228 IonicContact NE2-OE1 2.89Å
138K94.6Very high95.8Very high54 Ų5416 Ų1624%0.2359%0.089CC..EExtended strand (participates in β ladder)trans-59.5118.1173.1-66.3-175.9178.9-177.50110.4W131 G132 A133 Y194 L195 R226W131-K138 HydrophobicContact CB-CD 4.43Å; W131-K138 HydrophobicContact CD2-CD 4.28Å; W131-K138 HydrophobicContact CD2-CG 4.34Å; W131-K138 HydrophobicContact CE3-CD 4.37Å; W131-K138 HydrophobicContact CE3-CG 3.93Å; W131-K138 HydrophobicContact CG-CD 4.31Å; G132-K138 CarbonylContact O-C 3.48Å; G132-K138 WeakPolarHBondContact O-CA 3.47Å; A133-K138 HydrophobicContact CB-CB 4.5Å; A133-K138 HydrophobicContact CB-CG 4.21Å; K138-Y194 WeakPolarHBondContact CD-O 3.45Å; K138-Y194 VanDerWaalsContact NZ-CE1 3.34Å; K138-Y194 PolarHBondContact NZ-O 2.86Å; K138-Y194 VanDerWaalsContact NZ-O 3.16Å; K138-L195 HydrophobicContact CB-CD2 3.74Å; K138-L195 HydrophobicContact CD-CD2 4.43Å; K138-R226 WeakPolarHBondContact O-CD 3.47Å
139V95.1Very high95.8Very high3 Ų321.6 Ų21.62%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-106.5-24.7-174.4-71.10000113.1F85 G132 L134 H137 W225 R226 A229F85-V139 HydrophobicContact CE2-CG2 4.43Å; F85-V139 HydrophobicContact CZ-CG2 4.21Å; G132-V139 WeakPolarHBondContact O-CG2 3.25Å; G132-V139 PolarHBondContact O-N 3.39Å; L134-V139 HydrophobicContact CB-CG1 4.36Å; L134-V139 HydrophobicContact CD1-CG1 4.25Å; L134-V139 HydrophobicContact CD1-CG2 4.18Å; L134-V139 HydrophobicContact CG-CG1 4.35Å; L134-V139 HydrophobicContact CG-CG2 4.01Å; H137-V139 WeakPolarHBondContact O-CG1 3.27Å; H137-V139 PolarHBondContact O-N 2.64Å; H137-V139 VanDerWaalsContact O-N 3.17Å; V139-W225 HydrophobicContact CB-CZ3 4.5Å; V139-W225 HydrophobicContact CG2-CZ3 4.11Å; V139-R226 WeakPolarHBondContact O-CB 3.44Å; V139-R226 WeakPolarHBondContact O-CG 3.04Å; V139-R226 PolarHBondContact O-N 2.89Å; V139-A229 HydrophobicContact CB-CB 3.91Å; V139-A229 HydrophobicContact CG1-CB 3.59Å
140F96Very high95.9Very high12 Ų1223.1 Ų23.15%0.05312%0.124CC..EExtended strand (participates in β ladder)trans-148157.417271.9-90.9000112.7F85 W131 G132 H142 Y224 W225F85-F140 HydrophobicContact CB-CE1 4.31Å; F85-F140 HydrophobicContact CB-CZ 4.2Å; F85-F140 AromaticContact CD1-CE1 3.76Å; F85-F140 HydrophobicContact CD1-CE1 3.76Å; F85-F140 AromaticContact CD1-CZ 3.97Å; F85-F140 HydrophobicContact CD1-CZ 3.97Å; F85-F140 HydrophobicContact CD2-CD1 4.49Å; F85-F140 AromaticContact CD2-CE1 3.57Å; F85-F140 HydrophobicContact CD2-CE1 3.57Å; F85-F140 HydrophobicContact CD2-CZ 4.29Å; F85-F140 AromaticContact CE1-CE1 3.89Å; F85-F140 HydrophobicContact CE1-CE1 3.89Å; F85-F140 HydrophobicContact CE1-CZ 4.43Å; F85-F140 HydrophobicContact CE2-CD1 4.37Å; F85-F140 AromaticContact CE2-CE1 3.7Å; F85-F140 HydrophobicContact CE2-CE1 3.7Å; F85-F140 AromaticContact CG-CE1 3.59Å; F85-F140 HydrophobicContact CG-CE1 3.59Å; F85-F140 AromaticContact CG-CZ 3.88Å; F85-F140 HydrophobicContact CG-CZ 3.88Å; F85-F140 AromaticContact CZ-CE1 3.84Å; F85-F140 HydrophobicContact CZ-CE1 3.84Å; W131-F140 VanDerWaalsContact CA-O 3.3Å; W131-F140 WeakPolarHBondContact CA-O 3.3Å; G132-F140 VanDerWaalsContact CA-CE1 3.48Å; G132-F140 PolarHBondContact N-O 3.16Å; G132-F140 PolarHBondContact O-N 2.87Å; F140-H142 HydrophobicContact CD2-CB 4.35Å; F140-H142 HydrophobicContact CE2-CB 4.35Å; F140-H142 AromaticContact CE2-CD2 3.82Å; F140-Y224 WeakPolarHBondContact CA-O 3.2Å; F140-Y224 WeakPolarHBondContact CB-O 3.29Å; F140-W225 HydrophobicContact CB-CB 4.43Å; F140-W225 HydrophobicContact CB-CD2 3.51Å; F140-W225 HydrophobicContact CB-CE3 3.83Å; F140-W225 HydrophobicContact CB-CG 3.79Å; F140-W225 HydrophobicContact CB-CH2 4.5Å; F140-W225 HydrophobicContact CB-CZ2 4.2Å; F140-W225 HydrophobicContact CB-CZ3 4.32Å; F140-W225 HydrophobicContact CD1-CD2 4.13Å; F140-W225 AromaticContact CD1-CE2 3.81Å; F140-W225 AromaticContact CD1-CE3 3.97Å; F140-W225 HydrophobicContact CD1-CE3 3.97Å; F140-W225 AromaticContact CD1-CH2 3.27Å; F140-W225 HydrophobicContact CD1-CH2 3.27Å; F140-W225 AromaticContact CD1-CZ2 3.39Å; F140-W225 HydrophobicContact CD1-CZ2 3.39Å; F140-W225 AromaticContact CD1-CZ3 3.57Å; F140-W225 HydrophobicContact CD1-CZ3 3.57Å; F140-W225 HydrophobicContact CD2-CZ2 4.47Å; F140-W225 AromaticContact CE1-CH2 3.67Å; F140-W225 HydrophobicContact CE1-CH2 3.67Å; F140-W225 AromaticContact CE1-CZ2 3.82Å; F140-W225 HydrophobicContact CE1-CZ2 3.82Å; F140-W225 HydrophobicContact CE1-CZ3 4.33Å; F140-W225 HydrophobicContact CG-CD2 4.05Å; F140-W225 AromaticContact CG-CE2 3.76Å; F140-W225 HydrophobicContact CG-CE3 4.29Å; F140-W225 HydrophobicContact CG-CH2 4.08Å; F140-W225 AromaticContact CG-CZ2 3.79Å; F140-W225 HydrophobicContact CG-CZ2 3.79Å; F140-W225 HydrophobicContact CG-CZ3 4.31Å
141Y96.2Very high96Very high19 Ų1923.1 Ų23.18%0.07512%0.124CC..EExtended strand (participates in β ladder)trans-116146.5166.9173.1-98.6000108T129 G130 E143 I191 Y194 E223 Y224T129-Y141 VanDerWaalsContact CB-OH 3.28Å; T129-Y141 WeakPolarHBondContact CB-OH 3.37Å; T129-Y141 VanDerWaalsContact CG2-OH 3.26Å; T129-Y141 WeakPolarHBondContact CG2-OH 3.4Å; G130-Y141 WeakPolarHBondContact O-CA 3.18Å; G130-Y141 WeakPolarHBondContact O-CD2 2.97Å; Y141-E143 HydrophobicContact CD1-CG 4.33Å; Y141-E143 HydrophobicContact CE1-CG 3.46Å; Y141-E143 VanDerWaalsContact CE1-CG 3.46Å; Y141-E143 WeakPolarHBondContact CE1-OE1 3.09Å; Y141-I191 HydrophobicContact CD1-CB 4.38Å; Y141-I191 HydrophobicContact CD1-CD1 3.75Å; Y141-I191 HydrophobicContact CD1-CG1 3.79Å; Y141-I191 HydrophobicContact CD1-CG2 3.7Å; Y141-I191 HydrophobicContact CE1-CD1 3.84Å; Y141-I191 HydrophobicContact CE1-CG1 3.8Å; Y141-I191 HydrophobicContact CG-CG1 4.48Å; Y141-I191 HydrophobicContact CG-CG2 3.74Å; Y141-Y194 AromaticContact CD2-CD1 3.92Å; Y141-Y194 HydrophobicContact CD2-CD1 3.92Å; Y141-Y194 HydrophobicContact CD2-CE1 4.39Å; Y141-Y194 HydrophobicContact CE2-CD1 4.39Å; Y141-E223 CarbonylContact O-C 3.52Å; Y141-E223 WeakPolarHBondContact O-CA 3.39Å; Y141-Y224 HydrophobicContact CD1-CD2 4.09Å; Y141-Y224 PolarHBondContact N-O 3.42Å; Y141-Y224 PolarHBondContact O-N 2.84Å
142H95.8Very high96.1Very high13 Ų1324.9 Ų24.96%0.0614%0.141CC..EExtended strand (participates in β ladder)trans-133.9151.2176.571.394.3000112T129 G130 F140 T144 F163 I222 E223T129-H142 VanDerWaalsContact CA-O 3.25Å; T129-H142 WeakPolarHBondContact CA-O 3.15Å; G130-H142 VanDerWaalsContact CA-NE2 3.29Å; G130-H142 WeakPolarHBondContact CA-NE2 3.35Å; G130-H142 PolarHBondContact N-O 2.93Å; G130-H142 PolarHBondContact O-CD2 3.21Å; G130-H142 PolarHBondContact O-N 2.92Å; F140-H142 HydrophobicContact CD2-CB 4.35Å; F140-H142 HydrophobicContact CE2-CB 4.35Å; F140-H142 AromaticContact CE2-CD2 3.82Å; H142-T144 PolarHBondContact ND1-OG1 3.06Å; H142-F163 AromaticContact CE1-CE2 3.69Å; H142-F163 AromaticContact CE1-CZ 3.87Å; H142-I222 CarbonylContact C-O 3.54Å; H142-I222 WeakPolarHBondContact CA-O 3.21Å; H142-E223 HydrophobicContact CB-CG 3.95Å
143E96.6Very high96.2Very high19 Ų1926 Ų269%0.08915%0.153CC..EExtended strand (participates in β ladder)trans-123.1120.1166.2-51.3-164.4-16800108.1R127 I128 T129 Y141 Y145 D221 I222R127-E143 IonicContact CZ-OE2 3.65Å; R127-E143 VanDerWaalsContact CZ-OE2 3.27Å; R127-E143 IonicContact NE-OE2 3.68Å; R127-E143 PolarHBondContact NE-OE2 3.05Å; R127-E143 IonicContact NH2-OE1 3.42Å; R127-E143 PolarHBondContact NH2-OE1 3.43Å; R127-E143 VanDerWaalsContact NH2-OE1 3.07Å; R127-E143 IonicContact NH2-OE2 2.72Å; R127-E143 PolarHBondContact NH2-OE2 2.98Å; I128-E143 CarbonylContact O-C 3.59Å; I128-E143 WeakPolarHBondContact O-CA 3.3Å; T129-E143 HydrophobicContact CG2-CB 4.46Å; T129-E143 HydrophobicContact CG2-CG 4.08Å; Y141-E143 HydrophobicContact CD1-CG 4.33Å; Y141-E143 HydrophobicContact CE1-CG 3.46Å; Y141-E143 VanDerWaalsContact CE1-CG 3.46Å; Y141-E143 WeakPolarHBondContact CE1-OE1 3.09Å; E143-Y145 HydrophobicContact CB-CE2 3.81Å; E143-Y145 PolarHBondContact OE2-OH 2.99Å; E143-D221 CarbonylContact O-C 3.56Å; E143-I222 PolarHBondContact N-O 2.95Å; E143-I222 PolarHBondContact O-N 3.28Å
144T97.4Very high96.3Very high1 Ų126 Ų261%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-116.4132.6-178.4-62.10000109.1I128 H142 I146 F163 Q219 I220 D221I128-T144 PolarHBondContact N-O 3.48Å; I128-T144 PolarHBondContact O-N 3.44Å; H142-T144 PolarHBondContact ND1-OG1 3.06Å; T144-I146 HydrophobicContact CG2-CD1 4.35Å; T144-I146 HydrophobicContact CG2-CG1 4.31Å; T144-F163 HydrophobicContact CG2-CD1 3.93Å; T144-F163 HydrophobicContact CG2-CE1 3.57Å; T144-F163 HydrophobicContact CG2-CE2 4.29Å; T144-F163 HydrophobicContact CG2-CG 4.46Å; T144-F163 HydrophobicContact CG2-CZ 3.77Å; T144-Q219 HydrophobicContact CG2-CG 3.73Å; T144-I220 CarbonylContact C-O 3.51Å; T144-I220 WeakPolarHBondContact CA-O 3.39Å; T144-D221 WeakPolarHBondContact CB-OD1 3.38Å; T144-D221 WeakPolarHBondContact CG2-OD1 3.48Å; T144-D221 PolarHBondContact OG1-OD1 3.1Å
145Y98.6Very high96.3Very high21 Ų2127 Ų278%0.08216%0.158CC..EExtended strand (participates in β ladder)trans-119.8132.1-177.4-61.5-93.9000111.1T106 L113 Y126 R127 E143 Q219 I220 I222T106-Y145 HydrophobicContact CG2-CD1 4.39Å; T106-Y145 HydrophobicContact CG2-CE1 4.13Å; L113-Y145 HydrophobicContact CD1-CD1 3.4Å; L113-Y145 HydrophobicContact CD1-CD2 4.08Å; L113-Y145 HydrophobicContact CD1-CE1 3.54Å; L113-Y145 HydrophobicContact CD1-CE2 4.23Å; L113-Y145 HydrophobicContact CD1-CG 3.65Å; L113-Y145 HydrophobicContact CD2-CD1 4.46Å; L113-Y145 HydrophobicContact CD2-CD2 3.75Å; L113-Y145 HydrophobicContact CD2-CE2 4.27Å; L113-Y145 HydrophobicContact CD2-CG 3.85Å; L113-Y145 HydrophobicContact CG-CG 4.43Å; Y126-Y145 VanDerWaalsContact O-CA 3.25Å; Y126-Y145 WeakPolarHBondContact O-CA 3.29Å; R127-Y145 HydrophobicContact CB-CD1 4.01Å; R127-Y145 HydrophobicContact CB-CE1 3.79Å; R127-Y145 HydrophobicContact CG-CD1 4.25Å; R127-Y145 HydrophobicContact CG-CE1 3.65Å; R127-Y145 PolarHBondContact NE-OH 2.94Å; E143-Y145 HydrophobicContact CB-CE2 3.81Å; E143-Y145 PolarHBondContact OE2-OH 2.99Å; Y145-Q219 WeakPolarHBondContact O-CA 3.38Å; Y145-I220 PolarHBondContact N-O 3.08Å; Y145-I220 PolarHBondContact O-N 3.24Å; Y145-I222 HydrophobicContact CE2-CD1 4.06Å
146I98.4Very high96.3Very high0 Ų029.5 Ų29.50%017%0.17CC..EExtended strand (participates in β ladder)trans-139.6139.6-177.8-63.1174.8000108.8Y126 T144 P148 A151 F154 F163 W167 Q219Y126-I146 HydrophobicContact CD2-CB 4.43Å; Y126-I146 HydrophobicContact CD2-CG2 4.39Å; Y126-I146 PolarHBondContact N-O 2.89Å; Y126-I146 PolarHBondContact O-N 3.5Å; T144-I146 HydrophobicContact CG2-CD1 4.35Å; T144-I146 HydrophobicContact CG2-CG1 4.31Å; I146-P148 WeakPolarHBondContact O-CD 3.12Å; I146-A151 HydrophobicContact CG2-CB 4.11Å; I146-F154 HydrophobicContact CD1-CD1 3.58Å; I146-F154 HydrophobicContact CD1-CD2 4.19Å; I146-F154 HydrophobicContact CD1-CE1 3.31Å; I146-F154 HydrophobicContact CD1-CE2 3.96Å; I146-F154 HydrophobicContact CD1-CG 4.03Å; I146-F154 HydrophobicContact CD1-CZ 3.52Å; I146-F163 HydrophobicContact CD1-CD1 4.24Å; I146-W167 HydrophobicContact CD1-CZ2 4.03Å; I146-W167 HydrophobicContact CG1-CZ2 4.17Å; I146-W167 HydrophobicContact CG2-CH2 3.93Å; I146-W167 HydrophobicContact CG2-CZ2 3.68Å; I146-Q219 HydrophobicContact CD1-CG 4.48Å; I146-Q219 HydrophobicContact CG1-CB 4.13Å; I146-Q219 HydrophobicContact CG1-CG 4.14Å
147N98.4Very high96.5Very high0 Ų030.5 Ų30.50%016%0.157CC..  trans-77.7118.8176.4-174.7-21.9000110.7L116 T120 S122 L125 E149 V150 A151L116-N147 PolarHBondContact O-ND2 2.98Å; T120-N147 PolarHBondContact O-ND2 3.37Å; S122-N147 WeakPolarHBondContact CB-OD1 3.5Å; L125-N147 HydrophobicContact CD2-CB 3.97Å; N147-E149 PolarHBondContact O-N 3.22Å; N147-E149 WeakPolarHBondContact OD1-CB 3.35Å; N147-E149 PolarHBondContact OD1-N 3.1Å; N147-V150 HydrophobicContact CB-CB 4.16Å; N147-V150 HydrophobicContact CB-CG2 3.88Å; N147-V150 PolarHBondContact O-N 3.4Å; N147-V150 VanDerWaalsContact O-N 3.1Å; N147-A151 PolarHBondContact O-N 2.94Å; N147-A151 VanDerWaalsContact O-N 3.08Å
148P98.1Very high96.4Very high2 Ų230 Ų301%0.01316%0.155CC..THydrogen-bonded Turntrans-63.8-25.7-179.227.3-35.7000113.3E124 Y126 I146 V150 A151 P152E124-P148 WeakPolarHBondContact O-CD 3.38Å; Y126-P148 HydrophobicContact CD1-CB 4.43Å; Y126-P148 HydrophobicContact CD2-CB 4.07Å; Y126-P148 HydrophobicContact CE1-CB 4.03Å; Y126-P148 HydrophobicContact CE2-CB 3.6Å; Y126-P148 HydrophobicContact CG-CB 4.48Å; I146-P148 WeakPolarHBondContact O-CD 3.12Å; P148-V150 VanDerWaalsContact C-N 3.32Å; P148-A151 CarbonylContact O-C 3.58Å; P148-A151 VanDerWaalsContact O-C 3.27Å; P148-P152 WeakPolarHBondContact O-CA 3.37Å; P148-P152 WeakPolarHBondContact O-CD 3.46Å; P148-P152 WeakPolarHBondContact O-CG 3.24Å
149E97.5Very high96Very high116 Ų11633.8 Ų33.854%0.54217%0.173SC..THydrogen-bonded Turntrans-74.4-26.3176.9-57.3-53.6132.100111.9T120 N147T120-E149 HydrophobicContact CG2-CB 3.67Å; N147-E149 PolarHBondContact O-N 3.22Å; N147-E149 WeakPolarHBondContact OD1-CB 3.35Å; N147-E149 PolarHBondContact OD1-N 3.1Å
150V97.2Very high95.3Very high34 Ų3440.2 Ų40.221%0.20621%0.208CC..THydrogen-bonded Turntrans-82.2-35.2175176.40000111.1T120 N147 P148 W167 V218T120-V150 HydrophobicContact CG2-CG2 4.33Å; N147-V150 HydrophobicContact CB-CB 4.16Å; N147-V150 HydrophobicContact CB-CG2 3.88Å; N147-V150 PolarHBondContact O-N 3.4Å; N147-V150 VanDerWaalsContact O-N 3.1Å; P148-V150 VanDerWaalsContact C-N 3.32Å; V150-W167 HydrophobicContact CG1-CH2 4.21Å; V150-W167 HydrophobicContact CG1-CZ3 4.43Å; V150-V218 HydrophobicContact CG1-CB 4.4Å; V150-V218 HydrophobicContact CG1-CG1 3.96Å
151A97.3Very high94.9Very high0 Ų043.6 Ų43.60%022%0.223CC..SBendtrans-136.375.7-179.300000112Y126 I146 N147 P148 G153 F154 W167 Y171Y126-A151 WeakPolarHBondContact CE2-O 3.47Å; I146-A151 HydrophobicContact CG2-CB 4.11Å; N147-A151 PolarHBondContact O-N 2.94Å; N147-A151 VanDerWaalsContact O-N 3.08Å; P148-A151 CarbonylContact O-C 3.58Å; P148-A151 VanDerWaalsContact O-C 3.27Å; A151-G153 PolarHBondContact O-N 3.14Å; A151-F154 HydrophobicContact CB-CB 4.08Å; A151-F154 HydrophobicContact CB-CD2 3.78Å; A151-F154 HydrophobicContact CB-CG 4.36Å; A151-F154 WeakPolarHBondContact O-CB 3.43Å; A151-F154 PolarHBondContact O-N 3.48Å; A151-W167 HydrophobicContact CB-CH2 3.6Å; A151-W167 HydrophobicContact CB-CZ2 4.49Å; A151-W167 HydrophobicContact CB-CZ3 3.7Å; A151-Y171 VanDerWaalsContact CA-CE1 3.42Å; A151-Y171 HydrophobicContact CB-CD1 3.9Å; A151-Y171 HydrophobicContact CB-CD2 4.42Å; A151-Y171 HydrophobicContact CB-CE1 3.62Å; A151-Y171 HydrophobicContact CB-CE2 4.17Å; A151-Y171 HydrophobicContact CB-CG 4.3Å
152P97.5Very high94.6Very high86 Ų8644.4 Ų44.456%0.55823%0.232SC*.THydrogen-bonded Turntrans-60.2130.6-179.7-23.933.6000111.3P148 Y171P148-P152 WeakPolarHBondContact O-CA 3.37Å; P148-P152 WeakPolarHBondContact O-CD 3.46Å; P148-P152 WeakPolarHBondContact O-CG 3.24Å; P152-Y171 PolarHBondContact O-OH 2.84Å
153G96.2Very high94.5Very high24 Ų2445.1 Ų45.125%0.24724%0.235CC..THydrogen-bonded Turntrans78.616.3177.200000115.2Y126 A151 I155 E156 Q157Y126-G153 PolarHBondContact OH-N 3.39Å; Y126-G153 VanDerWaalsContact OH-N 3.08Å; A151-G153 PolarHBondContact O-N 3.14Å; G153-I155 VanDerWaalsContact C-N 3.3Å; G153-I155 PolarHBondContact O-N 3.38Å; G153-E156 WeakPolarHBondContact CA-OE2 3.42Å; G153-E156 PolarHBondContact O-N 3.2Å; G153-Q157 WeakPolarHBondContact O-CG 3.24Å; G153-Q157 PolarHBondContact O-N 2.8Å
154F97.4Very high94.2Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-61.4-38-173.5-168.9-78.1000112.7Y126 I146 A151 E156 Q157 L158 F163 V166 W167 Y171Y126-F154 HydrophobicContact CD2-CB 4.11Å; Y126-F154 HydrophobicContact CE2-CB 3.89Å; I146-F154 HydrophobicContact CD1-CD1 3.58Å; I146-F154 HydrophobicContact CD1-CD2 4.19Å; I146-F154 HydrophobicContact CD1-CE1 3.31Å; I146-F154 HydrophobicContact CD1-CE2 3.96Å; I146-F154 HydrophobicContact CD1-CG 4.03Å; I146-F154 HydrophobicContact CD1-CZ 3.52Å; A151-F154 HydrophobicContact CB-CB 4.08Å; A151-F154 HydrophobicContact CB-CD2 3.78Å; A151-F154 HydrophobicContact CB-CG 4.36Å; A151-F154 WeakPolarHBondContact O-CB 3.43Å; A151-F154 PolarHBondContact O-N 3.48Å; F154-E156 VanDerWaalsContact C-N 3.27Å; F154-E156 PolarHBondContact O-N 2.7Å; F154-Q157 PolarHBondContact O-N 2.91Å; F154-L158 HydrophobicContact CD1-CD1 3.9Å; F154-L158 HydrophobicContact CD1-CG 3.97Å; F154-L158 HydrophobicContact CE1-CD1 3.81Å; F154-L158 HydrophobicContact CE1-CD2 3.81Å; F154-L158 HydrophobicContact CE1-CG 3.69Å; F154-L158 PolarHBondContact O-N 3.47Å; F154-F163 AromaticContact CE1-CD1 3.75Å; F154-F163 HydrophobicContact CE1-CD1 3.75Å; F154-F163 HydrophobicContact CE1-CE1 4.28Å; F154-F163 HydrophobicContact CZ-CD1 4.12Å; F154-V166 HydrophobicContact CD1-CG1 4.38Å; F154-V166 HydrophobicContact CD2-CG1 3.85Å; F154-V166 HydrophobicContact CE1-CB 4.36Å; F154-V166 HydrophobicContact CE1-CG1 4.06Å; F154-V166 HydrophobicContact CE2-CB 4.03Å; F154-V166 HydrophobicContact CE2-CG1 3.5Å; F154-V166 HydrophobicContact CG-CG1 4.27Å; F154-V166 HydrophobicContact CZ-CB 3.77Å; F154-V166 HydrophobicContact CZ-CG1 3.62Å; F154-W167 HydrophobicContact CD2-CZ2 4.42Å; F154-W167 AromaticContact CE2-CD1 3.93Å; F154-W167 AromaticContact CE2-CD2 3.66Å; F154-W167 HydrophobicContact CE2-CD2 3.66Å; F154-W167 AromaticContact CE2-CE2 3.56Å; F154-W167 HydrophobicContact CE2-CE3 4.2Å; F154-W167 AromaticContact CE2-CG 3.91Å; F154-W167 HydrophobicContact CE2-CG 3.91Å; F154-W167 HydrophobicContact CE2-CZ2 4.04Å; F154-W167 AromaticContact CE2-NE1 3.71Å; F154-W167 AromaticContact CZ-CD1 3.96Å; F154-W167 HydrophobicContact CZ-CD2 4.43Å; F154-W167 HydrophobicContact CZ-CG 4.35Å; F154-W167 AromaticContact CZ-NE1 3.78Å; F154-Y171 WeakPolarHBondContact CA-OH 3.33Å; F154-Y171 HydrophobicContact CB-CE2 4.29Å; F154-Y171 AromaticContact CD2-CD2 3.86Å; F154-Y171 HydrophobicContact CD2-CD2 3.86Å; F154-Y171 AromaticContact CD2-CE2 3.33Å; F154-Y171 HydrophobicContact CD2-CE2 3.33Å; F154-Y171 HydrophobicContact CE2-CD2 4.13Å; F154-Y171 AromaticContact CE2-CE2 3.99Å; F154-Y171 HydrophobicContact CE2-CE2 3.99Å; F154-Y171 HydrophobicContact CG-CE2 4.15Å; F154-Y171 PolarHBondContact N-OH 3.39Å
155I95.7Very high93.9Very high22 Ų2246.8 Ų46.811%0.11325%0.25CC..Hα-helixtrans-59.6-40.7-179.2-78.3-179.3000111.4K103 Y126 I128 G153 Q157 L158K103-I155 HydrophobicContact CB-CD1 4.18Å; K103-I155 HydrophobicContact CB-CG1 4.35Å; K103-I155 HydrophobicContact CB-CG2 3.65Å; K103-I155 HydrophobicContact CD-CG2 3.95Å; K103-I155 HydrophobicContact CG-CG2 4.4Å; Y126-I155 HydrophobicContact CD1-CD1 3.22Å; Y126-I155 HydrophobicContact CD1-CG1 3.78Å; Y126-I155 HydrophobicContact CD2-CG1 4.36Å; Y126-I155 HydrophobicContact CE1-CD1 3.76Å; Y126-I155 HydrophobicContact CE1-CG1 4.14Å; Y126-I155 HydrophobicContact CG-CD1 3.72Å; Y126-I155 HydrophobicContact CG-CG1 3.88Å; I128-I155 HydrophobicContact CD1-CG1 4.2Å; I128-I155 HydrophobicContact CG1-CG1 4.1Å; G153-I155 VanDerWaalsContact C-N 3.3Å; G153-I155 PolarHBondContact O-N 3.38Å; I155-Q157 VanDerWaalsContact C-N 3.31Å; I155-Q157 PolarHBondContact O-N 2.75Å; I155-L158 PolarHBondContact O-N 3.36Å
156E94.2Very high93.8Very high117 Ų11745.9 Ų45.955%0.54725%0.246SC..Hα-helixtrans-69-31.8-178.4-65.472.5-163.300111.3G153 F154 L158G153-E156 WeakPolarHBondContact CA-OE2 3.42Å; G153-E156 PolarHBondContact O-N 3.2Å; F154-E156 VanDerWaalsContact C-N 3.27Å; F154-E156 PolarHBondContact O-N 2.7Å; E156-L158 VanDerWaalsContact C-N 3.33Å
157Q95.2Very high93.6Very high87 Ų8745.9 Ų45.941%0.40725%0.246SC..Hα-helixtrans-78.2-14.8178.1-55.3-50.9-50.400113.8G153 F154 I155 E159 V166 C170G153-Q157 WeakPolarHBondContact O-CG 3.24Å; G153-Q157 PolarHBondContact O-N 2.8Å; F154-Q157 PolarHBondContact O-N 2.91Å; I155-Q157 VanDerWaalsContact C-N 3.31Å; I155-Q157 PolarHBondContact O-N 2.75Å; Q157-E159 VanDerWaalsContact C-N 3.34Å; Q157-E159 PolarHBondContact O-N 2.95Å; Q157-V166 HydrophobicContact CB-CG1 3.68Å; Q157-C170 HydrophobicContact CG-CB 4.32Å
158L91.7Very high93.4Very high0 Ų052.1 Ų52.10%028%0.276CS..THydrogen-bonded Turntrans-69.2-27.2-172.4-89.4167000114.4F100 I128 F154 I155 E156 N160 H161 F163 V166F100-L158 HydrophobicContact CE1-CD1 4.5Å; F100-L158 HydrophobicContact CE1-CD2 4.45Å; F100-L158 HydrophobicContact CE2-CB 4.05Å; F100-L158 HydrophobicContact CE2-CD2 4.45Å; F100-L158 HydrophobicContact CZ-CB 4.13Å; F100-L158 HydrophobicContact CZ-CD1 4.29Å; F100-L158 HydrophobicContact CZ-CD2 3.74Å; F100-L158 HydrophobicContact CZ-CG 4.29Å; I128-L158 HydrophobicContact CD1-CD1 4.42Å; I128-L158 HydrophobicContact CG1-CD1 3.89Å; I128-L158 HydrophobicContact CG2-CD1 4.14Å; F154-L158 HydrophobicContact CD1-CD1 3.9Å; F154-L158 HydrophobicContact CD1-CG 3.97Å; F154-L158 HydrophobicContact CE1-CD1 3.81Å; F154-L158 HydrophobicContact CE1-CD2 3.81Å; F154-L158 HydrophobicContact CE1-CG 3.69Å; F154-L158 PolarHBondContact O-N 3.47Å; I155-L158 PolarHBondContact O-N 3.36Å; E156-L158 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.43Å; L158-H161 PolarHBondContact O-N 3.02Å; L158-F163 HydrophobicContact CD1-CD1 4.35Å; L158-F163 HydrophobicContact CD1-CE1 3.79Å; L158-F163 HydrophobicContact CD2-CD1 3.74Å; L158-F163 HydrophobicContact CD2-CE1 3.85Å; L158-F163 HydrophobicContact CD2-CG 4.33Å; L158-F163 HydrophobicContact CG-CE1 4.48Å; L158-V166 HydrophobicContact CD2-CG2 3.96Å; L158-V166 HydrophobicContact CG-CG2 4.42Å
159E85.7Confident93.2Very high134 Ų13459.1 Ų59.163%0.62631%0.306SS*.THydrogen-bonded Turntrans20.5-101.8-177.3-64.9-170.1175.300113.7F100 Q157F100-E159 WeakPolarHBondContact CE2-O 3.15Å; Q157-E159 VanDerWaalsContact C-N 3.34Å; Q157-E159 PolarHBondContact O-N 2.95Å
160N80.8Confident93.1Very high138 Ų13856.3 Ų56.374%0.73830%0.298SS*.THydrogen-bonded Turntrans-120.629.9171.9-65.7-38.8000112.5W98 L158W98-N160 WeakPolarHBondContact CZ2-O 3.39Å; L158-N160 PolarHBondContact O-N 3.43Å
161H87.4Confident93.1Very high83 Ų8357 Ų5738%0.38430%0.297SS..  trans-101.1153.1179.9-66-47.1000112L158 V166L158-H161 PolarHBondContact O-N 3.02Å; H161-V166 HydrophobicContact CB-CG2 3.87Å
162S89.9Confident93Very high35 Ų3565 Ų6525%0.24534%0.335CS..  trans-70.8151.9170.167.10000110.6S164 A165 V166S162-S164 PolarHBondContact O-N 3.36Å; S162-S164 PolarHBondContact OG-OG 2.94Å; S162-A165 PolarHBondContact O-N 3.2Å; S162-A165 WeakPolarHBondContact OG-CB 3.25Å; S162-A165 PolarHBondContact OG-N 2.83Å; S162-V166 PolarHBondContact O-N 2.9Å; S162-V166 VanDerWaalsContact O-N 3.1Å
163F93.7Very high92.9Very high29 Ų2962.7 Ų62.713%0.12732%0.316CS..Hα-helixtrans-51.5-44.2173.5-66.2-77.4000112.4F100 I128 H142 T144 I146 F154 L158 A165 V166 W167F100-F163 HydrophobicContact CE1-CE2 4.15Å; F100-F163 AromaticContact CE1-CZ 3.8Å; F100-F163 HydrophobicContact CE1-CZ 3.8Å; I128-F163 HydrophobicContact CB-CE1 4.24Å; I128-F163 HydrophobicContact CB-CZ 4.19Å; I128-F163 HydrophobicContact CD1-CE1 4.5Å; I128-F163 HydrophobicContact CG2-CE1 4.13Å; I128-F163 HydrophobicContact CG2-CZ 3.81Å; H142-F163 AromaticContact CE1-CE2 3.69Å; H142-F163 AromaticContact CE1-CZ 3.87Å; T144-F163 HydrophobicContact CG2-CD1 3.93Å; T144-F163 HydrophobicContact CG2-CE1 3.57Å; T144-F163 HydrophobicContact CG2-CE2 4.29Å; T144-F163 HydrophobicContact CG2-CG 4.46Å; T144-F163 HydrophobicContact CG2-CZ 3.77Å; I146-F163 HydrophobicContact CD1-CD1 4.24Å; F154-F163 AromaticContact CE1-CD1 3.75Å; F154-F163 HydrophobicContact CE1-CD1 3.75Å; F154-F163 HydrophobicContact CE1-CE1 4.28Å; F154-F163 HydrophobicContact CZ-CD1 4.12Å; L158-F163 HydrophobicContact CD1-CD1 4.35Å; L158-F163 HydrophobicContact CD1-CE1 3.79Å; L158-F163 HydrophobicContact CD2-CD1 3.74Å; L158-F163 HydrophobicContact CD2-CE1 3.85Å; L158-F163 HydrophobicContact CD2-CG 4.33Å; L158-F163 HydrophobicContact CG-CE1 4.48Å; F163-A165 PolarHBondContact O-N 2.87Å; F163-V166 PolarHBondContact O-N 3.24Å; F163-W167 PolarHBondContact O-N 3.29Å
164S90.8Very high92.7Very high36 Ų3668 Ų6825%0.25234%0.335SS..Hα-helixtrans-59.7-42.6177.548.90000112.9S162 V166 W167 E168S162-S164 PolarHBondContact O-N 3.36Å; S162-S164 PolarHBondContact OG-OG 2.94Å; S164-V166 VanDerWaalsContact C-N 3.34Å; S164-V166 PolarHBondContact O-N 3.37Å; S164-W167 PolarHBondContact O-N 3.19Å; S164-E168 WeakPolarHBondContact O-CB 3.43Å; S164-E168 PolarHBondContact O-N 3.49Å
165A90.9Very high92.5Very high19 Ų1968.3 Ų68.316%0.15734%0.336CS..Hα-helixtrans-66.9-36.3178.900000112S162 F163 K169S162-A165 PolarHBondContact O-N 3.2Å; S162-A165 WeakPolarHBondContact OG-CB 3.25Å; S162-A165 PolarHBondContact OG-N 2.83Å; F163-A165 PolarHBondContact O-N 2.87Å; A165-K169 VanDerWaalsContact O-CB 3.25Å; A165-K169 WeakPolarHBondContact O-CB 3.16Å; A165-K169 VanDerWaalsContact O-CG 3.27Å; A165-K169 WeakPolarHBondContact O-CG 3.49Å; A165-K169 PolarHBondContact O-N 2.8Å
166V94.9Very high92.4Very high2 Ų270.9 Ų70.91%0.01235%0.353CS..Hα-helixtrans-68.8-45.6176.8177.90000110.9F154 Q157 L158 H161 S162 F163 S164 E168 C170 Y171F154-V166 HydrophobicContact CD1-CG1 4.38Å; F154-V166 HydrophobicContact CD2-CG1 3.85Å; F154-V166 HydrophobicContact CE1-CB 4.36Å; F154-V166 HydrophobicContact CE1-CG1 4.06Å; F154-V166 HydrophobicContact CE2-CB 4.03Å; F154-V166 HydrophobicContact CE2-CG1 3.5Å; F154-V166 HydrophobicContact CG-CG1 4.27Å; F154-V166 HydrophobicContact CZ-CB 3.77Å; F154-V166 HydrophobicContact CZ-CG1 3.62Å; Q157-V166 HydrophobicContact CB-CG1 3.68Å; L158-V166 HydrophobicContact CD2-CG2 3.96Å; L158-V166 HydrophobicContact CG-CG2 4.42Å; H161-V166 HydrophobicContact CB-CG2 3.87Å; S162-V166 PolarHBondContact O-N 2.9Å; S162-V166 VanDerWaalsContact O-N 3.1Å; F163-V166 PolarHBondContact O-N 3.24Å; S164-V166 VanDerWaalsContact C-N 3.34Å; S164-V166 PolarHBondContact O-N 3.37Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 2.84Å; V166-C170 HydrophobicContact CG1-CB 4.36Å; V166-C170 WeakPolarHBondContact O-CB 3.42Å; V166-C170 PolarHBondContact O-N 2.83Å; V166-Y171 HydrophobicContact CG1-CD2 4.34Å; V166-Y171 HydrophobicContact CG1-CE2 3.96Å
167W95.5Very high92.3Very high0 Ų066.9 Ų66.90%034%0.336CS..Hα-helixtrans-56.2-45.9175.5-82.1117.7000112.3I146 V150 A151 F154 F163 S164 Y171 Q172 K173 T175 V218 Q219I146-W167 HydrophobicContact CD1-CZ2 4.03Å; I146-W167 HydrophobicContact CG1-CZ2 4.17Å; I146-W167 HydrophobicContact CG2-CH2 3.93Å; I146-W167 HydrophobicContact CG2-CZ2 3.68Å; V150-W167 HydrophobicContact CG1-CH2 4.21Å; V150-W167 HydrophobicContact CG1-CZ3 4.43Å; A151-W167 HydrophobicContact CB-CH2 3.6Å; A151-W167 HydrophobicContact CB-CZ2 4.49Å; A151-W167 HydrophobicContact CB-CZ3 3.7Å; F154-W167 HydrophobicContact CD2-CZ2 4.42Å; F154-W167 AromaticContact CE2-CD1 3.93Å; F154-W167 AromaticContact CE2-CD2 3.66Å; F154-W167 HydrophobicContact CE2-CD2 3.66Å; F154-W167 AromaticContact CE2-CE2 3.56Å; F154-W167 HydrophobicContact CE2-CE3 4.2Å; F154-W167 AromaticContact CE2-CG 3.91Å; F154-W167 HydrophobicContact CE2-CG 3.91Å; F154-W167 HydrophobicContact CE2-CZ2 4.04Å; F154-W167 AromaticContact CE2-NE1 3.71Å; F154-W167 AromaticContact CZ-CD1 3.96Å; F154-W167 HydrophobicContact CZ-CD2 4.43Å; F154-W167 HydrophobicContact CZ-CG 4.35Å; F154-W167 AromaticContact CZ-NE1 3.78Å; F163-W167 PolarHBondContact O-N 3.29Å; S164-W167 PolarHBondContact O-N 3.19Å; W167-Y171 HydrophobicContact CE3-CD2 4.24Å; W167-Y171 HydrophobicContact CE3-CG 4.2Å; W167-Y171 HydrophobicContact CZ3-CG 4.34Å; W167-Y171 CarbonylContact O-C 3.53Å; W167-Y171 VanDerWaalsContact O-C 3.32Å; W167-Y171 WeakPolarHBondContact O-CA 3.28Å; W167-Y171 WeakPolarHBondContact O-CB 3.41Å; W167-Y171 PolarHBondContact O-N 2.94Å; W167-Q172 PolarHBondContact O-N 2.95Å; W167-K173 CarbonylContact C-O 3.58Å; W167-K173 VanDerWaalsContact C-O 3.28Å; W167-K173 WeakPolarHBondContact CB-O 3.32Å; W167-K173 HydrophobicContact CE3-CB 3.99Å; W167-K173 HydrophobicContact CE3-CD 3.88Å; W167-K173 HydrophobicContact CE3-CG 4.5Å; W167-K173 HydrophobicContact CZ3-CD 3.76Å; W167-K173 PolarHBondContact O-N 3.16Å; W167-T175 HydrophobicContact CB-CG2 4.18Å; W167-T175 HydrophobicContact CD2-CG2 4.2Å; W167-T175 HydrophobicContact CG-CG2 3.88Å; W167-V218 HydrophobicContact CH2-CB 3.75Å; W167-V218 HydrophobicContact CH2-CG2 4.1Å; W167-V218 HydrophobicContact CZ2-CB 3.91Å; W167-V218 HydrophobicContact CZ2-CG2 3.93Å; W167-V218 WeakPolarHBondContact CZ2-O 3.44Å; W167-V218 HydrophobicContact CZ3-CB 4.39Å; W167-Q219 HydrophobicContact CZ2-CB 4.36Å
168E93.6Very high92.3Very high131 Ų13169 Ų6961%0.61234%0.344SS*.Hα-helixtrans-68.1-54.3-179.7-174-177.3-17500111.5S164 V166 Q172 K173S164-E168 WeakPolarHBondContact O-CB 3.43Å; S164-E168 PolarHBondContact O-N 3.49Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 2.84Å; E168-Q172 VanDerWaalsContact O-CA 3.28Å; E168-Q172 WeakPolarHBondContact O-CA 3.41Å; E168-Q172 PolarHBondContact O-N 3.37Å; E168-Q172 VanDerWaalsContact O-N 3.14Å; E168-K173 PolarHBondContact N-O 3.03Å
169K94.3Very high92.5Very high148 Ų14874.2 Ų74.264%0.64337%0.367SS*.Hα-helixtrans-74.3-39.8-171.2-67.6179.6179.6-176.60113.6A165A165-K169 VanDerWaalsContact O-CB 3.25Å; A165-K169 WeakPolarHBondContact O-CB 3.16Å; A165-K169 VanDerWaalsContact O-CG 3.27Å; A165-K169 WeakPolarHBondContact O-CG 3.49Å; A165-K169 PolarHBondContact O-N 2.8Å
170C96.3Very high92.9Very high58 Ų5870.1 Ų70.139%0.39235%0.349SS..Hα-helixtrans-97.8-27.7-171.7-570000112.7Q157 V166Q157-C170 HydrophobicContact CG-CB 4.32Å; V166-C170 HydrophobicContact CG1-CB 4.36Å; V166-C170 WeakPolarHBondContact O-CB 3.42Å; V166-C170 PolarHBondContact O-N 2.83Å
171Y96.2Very high93.6Very high47 Ų4765.4 Ų65.418%0.18432%0.324CS..Hα-helixtrans-121.6-0.6-174.3-58.5-83.3000113.7A151 P152 F154 V166 W167 K173A151-Y171 VanDerWaalsContact CA-CE1 3.42Å; A151-Y171 HydrophobicContact CB-CD1 3.9Å; A151-Y171 HydrophobicContact CB-CD2 4.42Å; A151-Y171 HydrophobicContact CB-CE1 3.62Å; A151-Y171 HydrophobicContact CB-CE2 4.17Å; A151-Y171 HydrophobicContact CB-CG 4.3Å; P152-Y171 PolarHBondContact O-OH 2.84Å; F154-Y171 WeakPolarHBondContact CA-OH 3.33Å; F154-Y171 HydrophobicContact CB-CE2 4.29Å; F154-Y171 AromaticContact CD2-CD2 3.86Å; F154-Y171 HydrophobicContact CD2-CD2 3.86Å; F154-Y171 AromaticContact CD2-CE2 3.33Å; F154-Y171 HydrophobicContact CD2-CE2 3.33Å; F154-Y171 HydrophobicContact CE2-CD2 4.13Å; F154-Y171 AromaticContact CE2-CE2 3.99Å; F154-Y171 HydrophobicContact CE2-CE2 3.99Å; F154-Y171 HydrophobicContact CG-CE2 4.15Å; F154-Y171 PolarHBondContact N-OH 3.39Å; V166-Y171 HydrophobicContact CG1-CD2 4.34Å; V166-Y171 HydrophobicContact CG1-CE2 3.96Å; W167-Y171 HydrophobicContact CE3-CD2 4.24Å; W167-Y171 HydrophobicContact CE3-CG 4.2Å; W167-Y171 HydrophobicContact CZ3-CG 4.34Å; W167-Y171 CarbonylContact O-C 3.53Å; W167-Y171 VanDerWaalsContact O-C 3.32Å; W167-Y171 WeakPolarHBondContact O-CA 3.28Å; W167-Y171 WeakPolarHBondContact O-CB 3.41Å; W167-Y171 PolarHBondContact O-N 2.94Å; Y171-K173 PolarHBondContact O-N 3.14Å; Y171-K173 VanDerWaalsContact O-N 3.16Å
172Q95.7Very high93.8Very high168 Ų16864.8 Ų64.879%0.78532%0.32SS*.  trans55.631.4179-56.5173.715.100112.9W167 E168 Q213W167-Q172 PolarHBondContact O-N 2.95Å; E168-Q172 VanDerWaalsContact O-CA 3.28Å; E168-Q172 WeakPolarHBondContact O-CA 3.41Å; E168-Q172 PolarHBondContact O-N 3.37Å; E168-Q172 VanDerWaalsContact O-N 3.14Å; Q172-Q213 PolarHBondContact O-NE2 2.99Å
173K93.9Very high94.1Very high38 Ų3867.4 Ų67.417%0.16533%0.327CS..  trans-111118.3179.4-75.8178.3179.3-70.20110.2W167 E168 Y171 D212W167-K173 CarbonylContact C-O 3.58Å; W167-K173 VanDerWaalsContact C-O 3.28Å; W167-K173 WeakPolarHBondContact CB-O 3.32Å; W167-K173 HydrophobicContact CE3-CB 3.99Å; W167-K173 HydrophobicContact CE3-CD 3.88Å; W167-K173 HydrophobicContact CE3-CG 4.5Å; W167-K173 HydrophobicContact CZ3-CD 3.76Å; W167-K173 PolarHBondContact O-N 3.16Å; E168-K173 PolarHBondContact N-O 3.03Å; Y171-K173 PolarHBondContact O-N 3.14Å; Y171-K173 VanDerWaalsContact O-N 3.16Å; K173-D212 HydrophobicContact CD-CB 4.07Å; K173-D212 HydrophobicContact CG-CB 4.29Å; K173-D212 IonicContact NZ-OD2 3.29Å; K173-D212 PolarHBondContact NZ-OD2 3.39Å
174E92.2Very high94.2Very high137 Ų13771.9 Ų71.964%0.6436%0.359SS*.  trans-82.8128.1162.2-170.8177.6179.300108Q213E174-Q213 HydrophobicContact CB-CG 4.32Å
175T93.6Very high94.4Very high5 Ų572.1 Ų72.13%0.03136%0.359CS..  trans-111.2136.9-177.761.30000111.6S82 W167 A211 V218S82-T175 PolarHBondContact OG-O 3.12Å; W167-T175 HydrophobicContact CB-CG2 4.18Å; W167-T175 HydrophobicContact CD2-CG2 4.2Å; W167-T175 HydrophobicContact CG-CG2 3.88Å; T175-A211 CarbonylContact C-O 3.56Å; T175-A211 VanDerWaalsContact CA-O 3.24Å; T175-A211 WeakPolarHBondContact CA-O 3.5Å; T175-V218 HydrophobicContact CG2-CG2 3.8Å
176V93.3Very high94.5Very high76 Ų7679.3 Ų79.346%0.46138%0.382SS..EExtended strand (participates in β ladder)trans-122.9147.7178-62.80000110.4K178 R210 A211V176-K178 PolarHBondContact O-N 2.99Å; V176-R210 CarbonylContact O-C 3.52Å; V176-R210 VanDerWaalsContact O-CA 3.24Å; V176-R210 WeakPolarHBondContact O-CA 3.25Å; V176-A211 PolarHBondContact N-O 3.21Å; V176-A211 PolarHBondContact O-N 3.26Å
177V93.7Very high94.4Very high33 Ų3379.4 Ų79.420%0.238%0.382CS..EExtended strand (participates in β ladder)trans-73110.7174.7-179.90000108.8L180 R210V177-L180 HydrophobicContact CG1-CB 4.08Å; V177-L180 HydrophobicContact CG1-CD1 4.47Å; V177-R210 HydrophobicContact CG2-CG 4.32Å
178K94.7Very high94.2Very high131 Ų13181.4 Ų81.457%0.5740%0.395SS*.EExtended strand (participates in β ladder)trans-92.2-29.2-179.8-174.1173-175.7-176.20112.7V176 H209 A211 G215 I217V176-K178 PolarHBondContact O-N 2.99Å; K178-H209 PolarHBondContact N-O 3.05Å; K178-A211 HydrophobicContact CB-CB 3.81Å; K178-A211 HydrophobicContact CD-CB 3.74Å; K178-A211 HydrophobicContact CG-CB 4.38Å; K178-G215 PolarHBondContact NZ-O 3.31Å; K178-I217 HydrophobicContact CB-CD1 4.05Å; K178-I217 HydrophobicContact CD-CD1 3.91Å; K178-I217 HydrophobicContact CG-CD1 4.42Å
179K95Very high94Very high110 Ų11076.8 Ų76.848%0.47838%0.383SS..EExtended strand (participates in β ladder)trans-144.3138.3175.5-178.2-170.3-177.4-166.60109.2I181 H209K179-I181 HydrophobicContact CD-CD1 4.34Å; K179-I181 VanDerWaalsContact CE-CD1 3.47Å; K179-I181 HydrophobicContact CG-CG1 4.47Å; K179-H209 HydrophobicContact CB-CB 3.95Å; K179-H209 PolarHBondContact N-O 2.75Å; K179-H209 PolarHBondContact O-N 2.79Å
180L94.6Very high93.8Very high48 Ų4874.8 Ų74.825%0.25138%0.379SS..EExtended strand (participates in β ladder)trans-134.3128.4-177.8-175.963.7000108.8P79 V177 F182 I206 E207 K208P79-L180 HydrophobicContact CB-CD1 3.99Å; P79-L180 HydrophobicContact CB-CD2 4.29Å; P79-L180 HydrophobicContact CG-CD1 4.35Å; P79-L180 HydrophobicContact CG-CD2 3.92Å; V177-L180 HydrophobicContact CG1-CB 4.08Å; V177-L180 HydrophobicContact CG1-CD1 4.47Å; L180-F182 HydrophobicContact CD1-CE1 4.45Å; L180-F182 HydrophobicContact CD1-CE2 4.37Å; L180-F182 HydrophobicContact CD1-CZ 4.05Å; L180-F182 HydrophobicContact CD2-CE1 4.46Å; L180-F182 HydrophobicContact CD2-CE2 3.46Å; L180-F182 VanDerWaalsContact CD2-CE2 3.46Å; L180-F182 HydrophobicContact CD2-CZ 3.37Å; L180-F182 HydrophobicContact CG-CD2 4.3Å; L180-F182 HydrophobicContact CG-CE1 4.42Å; L180-F182 HydrophobicContact CG-CE2 3.5Å; L180-F182 HydrophobicContact CG-CZ 3.61Å; L180-I206 HydrophobicContact CD1-CG2 3.77Å; L180-E207 WeakPolarHBondContact CA-O 3.48Å; L180-K208 HydrophobicContact CD1-CD 4.37Å; L180-K208 HydrophobicContact CD1-CG 3.62Å
181I95.3Very high93.6Very high40 Ų4072.2 Ų72.221%0.20536%0.361CS..EExtended strand (participates in β ladder)trans-127.9135.2178.6-58.7160.4000109.2K179 K183 I206 E207K179-I181 HydrophobicContact CD-CD1 4.34Å; K179-I181 VanDerWaalsContact CE-CD1 3.47Å; K179-I181 HydrophobicContact CG-CG1 4.47Å; I181-K183 HydrophobicContact CG2-CD 4.43Å; I181-K183 HydrophobicContact CG2-CG 4.12Å; I181-I206 WeakPolarHBondContact O-CA 3.16Å; I181-E207 HydrophobicContact CB-CB 4.18Å; I181-E207 WeakPolarHBondContact CD1-OE1 3.47Å; I181-E207 PolarHBondContact N-O 2.82Å; I181-E207 PolarHBondContact O-N 2.77Å
182F92.4Very high93.2Very high70 Ų7070 Ų7031%0.30735%0.353SS..EExtended strand (participates in β ladder)trans-117.1132.8176-59.2-83.6000110.2P79 L180 L205 I206 L232 I234P79-F182 HydrophobicContact CB-CZ 4.49Å; P79-F182 HydrophobicContact CG-CE1 3.73Å; P79-F182 HydrophobicContact CG-CZ 3.51Å; L180-F182 HydrophobicContact CD1-CE1 4.45Å; L180-F182 HydrophobicContact CD1-CE2 4.37Å; L180-F182 HydrophobicContact CD1-CZ 4.05Å; L180-F182 HydrophobicContact CD2-CE1 4.46Å; L180-F182 HydrophobicContact CD2-CE2 3.46Å; L180-F182 VanDerWaalsContact CD2-CE2 3.46Å; L180-F182 HydrophobicContact CD2-CZ 3.37Å; L180-F182 HydrophobicContact CG-CD2 4.3Å; L180-F182 HydrophobicContact CG-CE1 4.42Å; L180-F182 HydrophobicContact CG-CE2 3.5Å; L180-F182 HydrophobicContact CG-CZ 3.61Å; F182-L205 WeakPolarHBondContact CA-O 3.48Å; F182-I206 HydrophobicContact CD1-CB 4.42Å; F182-I206 HydrophobicContact CD1-CD1 4.4Å; F182-I206 HydrophobicContact CD1-CG1 3.89Å; F182-I206 HydrophobicContact CD1-CG2 4.09Å; F182-I206 HydrophobicContact CE1-CB 4.5Å; F182-I206 HydrophobicContact CE1-CD1 4.16Å; F182-I206 HydrophobicContact CE1-CG1 4.07Å; F182-I206 HydrophobicContact CE1-CG2 3.8Å; F182-L232 HydrophobicContact CD1-CD1 3.44Å; F182-L232 VanDerWaalsContact CD1-CD1 3.44Å; F182-L232 HydrophobicContact CE1-CD1 3.49Å; F182-L232 VanDerWaalsContact CE1-CD1 3.49Å; F182-L232 HydrophobicContact CE1-CD2 4.14Å; F182-L232 HydrophobicContact CE1-CG 4.32Å; F182-L232 HydrophobicContact CG-CD1 4.4Å; F182-L232 HydrophobicContact CZ-CD1 4.46Å; F182-I234 HydrophobicContact CE2-CD1 3.94Å; F182-I234 HydrophobicContact CZ-CD1 4.16Å
183K94.9Very high92.7Very high89 Ų8970.3 Ų70.339%0.38735%0.351SS..EExtended strand (participates in β ladder)trans-134.6123.9176.6-61.4171.8-172.5148.60109.6I181 V185 L205 E207I181-K183 HydrophobicContact CG2-CD 4.43Å; I181-K183 HydrophobicContact CG2-CG 4.12Å; K183-V185 HydrophobicContact CB-CG1 3.98Å; K183-V185 PolarHBondContact O-N 2.92Å; K183-L205 HydrophobicContact CB-CB 4.34Å; K183-L205 HydrophobicContact CD-CD2 4.34Å; K183-L205 PolarHBondContact N-O 2.77Å; K183-L205 PolarHBondContact O-N 2.84Å; K183-E207 IonicContact NZ-OE2 3.07Å; K183-E207 PolarHBondContact NZ-OE2 2.81Å
184P95.6Very high92.3Very high124 Ų12471.9 Ų71.981%0.80536%0.357SS*.EExtended strand (participates in β ladder)trans-66.8127.4163.628.5-31.4000108.3
185V95.7Very high92.2Very high41 Ų4165.7 Ų65.725%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-136.2166.5-176-62.70000111.3K183 A203 L205 Y224K183-V185 HydrophobicContact CB-CG1 3.98Å; K183-V185 PolarHBondContact O-N 2.92Å; V185-A203 HydrophobicContact CG2-CB 3.95Å; V185-A203 PolarHBondContact N-O 3.3Å; V185-A203 PolarHBondContact O-N 3.29Å; V185-A203 VanDerWaalsContact O-O 3.1Å; V185-L205 HydrophobicContact CG1-CB 3.92Å; V185-L205 HydrophobicContact CG2-CB 3.86Å; V185-Y224 HydrophobicContact CG2-CD1 4.44Å
186R93.9Very high91.8Very high170 Ų17067.1 Ų67.164%0.64234%0.343SS*.EExtended strand (participates in β ladder)trans-94.7127163.5-66.4-72.8173.1-175.4-1.6107.2P188 G200R186-P188 WeakPolarHBondContact O-CD 3.26Å; R186-G200 WeakPolarHBondContact CD-O 3.45Å; R186-G200 PolarHBondContact NH1-O 3.39Å
187M92.2Very high91.3Very high3 Ų363.7 Ų63.72%0.01532%0.324CS..PPolyproline II helixtrans-58.7125.7-177.3-170.669.57800110.2I191 S192 L195 G200 M201 A203 Y224M187-I191 HydrophobicContact CE-CG2 4.45Å; M187-I191 HydrophobicContact CG-CB 4.28Å; M187-I191 HydrophobicContact CG-CG2 4.14Å; M187-I191 HydrophobicContact SD-CB 3.99Å; M187-I191 HydrophobicContact SD-CG2 3.4Å; M187-I191 WeakPolarHBondContact SD-CG2 3.34Å; M187-S192 WeakPolarHBondContact CB-OG 3.28Å; M187-S192 WeakPolarHBondContact CG-OG 3.43Å; M187-S192 PolarHBondContact O-OG 2.81Å; M187-L195 HydrophobicContact CE-CD1 3.38Å; M187-L195 HydrophobicContact SD-CD1 4.13Å; M187-G200 PolarHBondContact O-N 2.91Å; M187-M201 HydrophobicContact CB-CE 4.18Å; M187-M201 HydrophobicContact CB-CG 3.7Å; M187-M201 WeakPolarHBondContact CB-O 3.4Å; M187-M201 HydrophobicContact CE-CE 3.66Å; M187-M201 HydrophobicContact CG-CE 3.9Å; M187-M201 HydrophobicContact CG-CG 4.39Å; M187-M201 PolarHBondContact N-O 3.02Å; M187-A203 HydrophobicContact CB-CB 4.11Å; M187-A203 HydrophobicContact CE-CB 3.61Å; M187-A203 HydrophobicContact SD-CB 4.27Å; M187-Y224 VanDerWaalsContact SD-CB 3.57Å; M187-Y224 HydrophobicContact SD-CD1 3.95Å; M187-Y224 HydrophobicContact SD-CG 4.08Å
188P91.4Very high90.7Very high42 Ų4262.9 Ų62.927%0.27332%0.32SS..PPolyproline II helixtrans-54.5149.4173.6-29.238.9000112.1R186 D190 I191 S192 Y224R186-P188 WeakPolarHBondContact O-CD 3.26Å; P188-D190 WeakPolarHBondContact CB-OD1 3.34Å; P188-D190 PolarHBondContact O-N 2.77Å; P188-I191 HydrophobicContact CB-CB 4.47Å; P188-I191 HydrophobicContact CB-CD1 4.13Å; P188-I191 HydrophobicContact CB-CG1 4.35Å; P188-I191 HydrophobicContact CG-CD1 4Å; P188-I191 PolarHBondContact O-N 3.06Å; P188-S192 VanDerWaalsContact O-CB 3.29Å; P188-S192 WeakPolarHBondContact O-CB 3.4Å; P188-S192 PolarHBondContact O-N 3.36Å; P188-S192 PolarHBondContact O-OG 3.18Å; P188-Y224 HydrophobicContact CG-CD1 4.49Å; P188-Y224 HydrophobicContact CG-CE1 3.89Å
189G89.4Confident90.1Very high34 Ų3460.5 Ų60.535%0.35132%0.324SS..Hα-helixtrans-67.7-36.4-169.300000114.1K193G189-K193 WeakPolarHBondContact O-CG 3.1Å; G189-K193 PolarHBondContact O-N 3.33Å
190D89.3Confident89.7Confident107 Ų10756.6 Ų56.657%0.57232%0.315SS*.Hα-helixtrans-62.5-49.7171.655.7-23.7000112P188 S192 K193 Y194P188-D190 WeakPolarHBondContact CB-OD1 3.34Å; P188-D190 PolarHBondContact O-N 2.77Å; D190-S192 PolarHBondContact O-N 3.47Å; D190-K193 PolarHBondContact O-N 3.35Å; D190-Y194 PolarHBondContact O-N 3.2Å
191I92.1Very high89.3Confident4 Ų455.1 Ų55.12%0.02131%0.308CS..Hα-helixtrans-66.8-39.2177.6-59.8172.4000111Y141 M187 P188 K193 Y194 L195 Y224Y141-I191 HydrophobicContact CD1-CB 4.38Å; Y141-I191 HydrophobicContact CD1-CD1 3.75Å; Y141-I191 HydrophobicContact CD1-CG1 3.79Å; Y141-I191 HydrophobicContact CD1-CG2 3.7Å; Y141-I191 HydrophobicContact CE1-CD1 3.84Å; Y141-I191 HydrophobicContact CE1-CG1 3.8Å; Y141-I191 HydrophobicContact CG-CG1 4.48Å; Y141-I191 HydrophobicContact CG-CG2 3.74Å; M187-I191 HydrophobicContact CE-CG2 4.45Å; M187-I191 HydrophobicContact CG-CB 4.28Å; M187-I191 HydrophobicContact CG-CG2 4.14Å; M187-I191 HydrophobicContact SD-CB 3.99Å; M187-I191 HydrophobicContact SD-CG2 3.4Å; M187-I191 WeakPolarHBondContact SD-CG2 3.34Å; P188-I191 HydrophobicContact CB-CB 4.47Å; P188-I191 HydrophobicContact CB-CD1 4.13Å; P188-I191 HydrophobicContact CB-CG1 4.35Å; P188-I191 HydrophobicContact CG-CD1 4Å; P188-I191 PolarHBondContact O-N 3.06Å; I191-K193 VanDerWaalsContact C-N 3.31Å; I191-K193 PolarHBondContact O-N 3.5Å; I191-Y194 WeakPolarHBondContact O-CA 3.28Å; I191-Y194 WeakPolarHBondContact O-CB 3.27Å; I191-Y194 PolarHBondContact O-N 3.44Å; I191-L195 HydrophobicContact CG2-CD1 3.94Å; I191-L195 HydrophobicContact CG2-CG 4.31Å; I191-L195 PolarHBondContact O-N 3.16Å; I191-Y224 HydrophobicContact CD1-CD1 4.13Å; I191-Y224 HydrophobicContact CD1-CD2 3.63Å; I191-Y224 HydrophobicContact CD1-CE1 4.06Å; I191-Y224 HydrophobicContact CD1-CE2 3.56Å; I191-Y224 HydrophobicContact CD1-CG 3.91Å
192S88.4Confident89.2Confident1 Ų155.9 Ų55.91%0.00732%0.315CS..Hα-helixtrans-57.7-44.5177.4-62.10000111.6M187 P188 D190 Y194 L195 G196 G197M187-S192 WeakPolarHBondContact CB-OG 3.28Å; M187-S192 WeakPolarHBondContact CG-OG 3.43Å; M187-S192 PolarHBondContact O-OG 2.81Å; P188-S192 VanDerWaalsContact O-CB 3.29Å; P188-S192 WeakPolarHBondContact O-CB 3.4Å; P188-S192 PolarHBondContact O-N 3.36Å; P188-S192 PolarHBondContact O-OG 3.18Å; D190-S192 PolarHBondContact O-N 3.47Å; S192-Y194 VanDerWaalsContact C-N 3.28Å; S192-Y194 PolarHBondContact O-N 3.36Å; S192-L195 PolarHBondContact O-N 3Å; S192-G196 PolarHBondContact O-N 2.92Å; S192-G196 VanDerWaalsContact O-N 3.08Å; S192-G197 PolarHBondContact O-N 3.32Å
193K85Confident89.2Confident173 Ų17352.6 Ų52.675%0.75230%0.301SS*.Hα-helixtrans-59.7-42.3174.9-72.8171.2-174.31770110.7G189 D190 I191 L195 G196G189-K193 WeakPolarHBondContact O-CG 3.1Å; G189-K193 PolarHBondContact O-N 3.33Å; D190-K193 PolarHBondContact O-N 3.35Å; I191-K193 VanDerWaalsContact C-N 3.31Å; I191-K193 PolarHBondContact O-N 3.5Å; K193-L195 PolarHBondContact O-N 3.18Å; K193-G196 PolarHBondContact O-N 2.83Å; K193-G196 VanDerWaalsContact O-N 3.16Å
194Y86.2Confident89.3Confident72 Ų7249.5 Ų49.528%0.28229%0.288SS..Hα-helixtrans-65.3-37.7-178.8-159.7-94.3000113.4T101 W131 K138 Y141 D190 I191 S192 G196T101-Y194 HydrophobicContact CG2-CD2 4.42Å; T101-Y194 HydrophobicContact CG2-CE2 3.46Å; T101-Y194 VanDerWaalsContact CG2-CE2 3.46Å; T101-Y194 WeakPolarHBondContact CG2-OH 3.4Å; T101-Y194 PolarHBondContact OG1-OH 2.88Å; W131-Y194 HydrophobicContact CB-CD1 4.48Å; W131-Y194 HydrophobicContact CB-CE1 3.9Å; W131-Y194 AromaticContact CD1-CE1 3.4Å; W131-Y194 VanDerWaalsContact CD1-CE1 3.4Å; W131-Y194 AromaticContact CD1-CZ 3.77Å; W131-Y194 VanDerWaalsContact CD1-OH 3.22Å; W131-Y194 AromaticContact CG-CE1 3.79Å; W131-Y194 HydrophobicContact CG-CE1 3.79Å; W131-Y194 PolarHBondContact NE1-OH 3.41Å; K138-Y194 WeakPolarHBondContact CD-O 3.45Å; K138-Y194 VanDerWaalsContact NZ-CE1 3.34Å; K138-Y194 PolarHBondContact NZ-O 2.86Å; K138-Y194 VanDerWaalsContact NZ-O 3.16Å; Y141-Y194 AromaticContact CD2-CD1 3.92Å; Y141-Y194 HydrophobicContact CD2-CD1 3.92Å; Y141-Y194 HydrophobicContact CD2-CE1 4.39Å; Y141-Y194 HydrophobicContact CE2-CD1 4.39Å; D190-Y194 PolarHBondContact O-N 3.2Å; I191-Y194 WeakPolarHBondContact O-CA 3.28Å; I191-Y194 WeakPolarHBondContact O-CB 3.27Å; I191-Y194 PolarHBondContact O-N 3.44Å; S192-Y194 VanDerWaalsContact C-N 3.28Å; S192-Y194 PolarHBondContact O-N 3.36Å; Y194-G196 VanDerWaalsContact C-N 3.31Å
195L90.4Very high89.3Confident7 Ų744.3 Ų44.34%0.03725%0.254CS..THydrogen-bonded Turntrans-83.7-0.3175.8-64.5176.9000113.8K138 M187 I191 S192 K193 G197 M201 R226K138-L195 HydrophobicContact CB-CD2 3.74Å; K138-L195 HydrophobicContact CD-CD2 4.43Å; M187-L195 HydrophobicContact CE-CD1 3.38Å; M187-L195 HydrophobicContact SD-CD1 4.13Å; I191-L195 HydrophobicContact CG2-CD1 3.94Å; I191-L195 HydrophobicContact CG2-CG 4.31Å; I191-L195 PolarHBondContact O-N 3.16Å; S192-L195 PolarHBondContact O-N 3Å; K193-L195 PolarHBondContact O-N 3.18Å; L195-G197 VanDerWaalsContact C-N 3.27Å; L195-G197 PolarHBondContact O-N 2.9Å; L195-M201 HydrophobicContact CB-CE 4.21Å; L195-M201 HydrophobicContact CD1-CE 4.08Å; L195-R226 HydrophobicContact CD1-CG 4.24Å; L195-R226 PolarHBondContact O-NH1 3.11Å; L195-R226 VanDerWaalsContact O-NH1 3.14Å
196G85.3Confident89.3Confident34 Ų3442.4 Ų42.435%0.35124%0.242SC..THydrogen-bonded Turntrans68.721.7-178.600000114.4K63 D64 S192 K193 Y194K63-G196 WeakPolarHBondContact CA-O 3.45Å; D64-G196 PolarHBondContact N-O 2.84Å; S192-G196 PolarHBondContact O-N 2.92Å; S192-G196 VanDerWaalsContact O-N 3.08Å; K193-G196 PolarHBondContact O-N 2.83Å; K193-G196 VanDerWaalsContact O-N 3.16Å; Y194-G196 VanDerWaalsContact C-N 3.31Å
197G81.4Confident89.4Confident4 Ų434.8 Ų34.84%0.04121%0.214CC..PPolyproline II helixtrans-96.4172.9178.200000113.7S192 L195S192-G197 PolarHBondContact O-N 3.32Å; L195-G197 VanDerWaalsContact C-N 3.27Å; L195-G197 PolarHBondContact O-N 2.9Å
198S81Confident89.6Confident17 Ų1735.1 Ų35.112%0.11922%0.215CC..PPolyproline II helixtrans-78.2143.3169-57.60000109.9R62 G200 M201R62-S198 PolarHBondContact NE-OG 2.99Å; R62-S198 VanDerWaalsContact NE-OG 3.14Å; R62-S198 PolarHBondContact NH2-OG 2.81Å; S198-G200 PolarHBondContact O-N 2.71Å; S198-M201 WeakPolarHBondContact O-CB 3.42Å; S198-M201 PolarHBondContact O-N 2.89Å; S198-M201 VanDerWaalsContact O-N 3.14Å
199A82.9Confident89.8Confident80 Ų8033.4 Ų33.466%0.66120%0.203SC*.THydrogen-bonded Turntrans-55.1134.9173.600000110.8M201A199-M201 VanDerWaalsContact C-N 3.31Å; A199-M201 PolarHBondContact O-N 3.24Å
200G85.9Confident90.1Very high29 Ų2932.5 Ų32.530%0.29919%0.189SC..THydrogen-bonded Turntrans75.214.9-179.200000114.9R186 M187 S198R186-G200 WeakPolarHBondContact CD-O 3.45Å; R186-G200 PolarHBondContact NH1-O 3.39Å; M187-G200 PolarHBondContact O-N 2.91Å; S198-G200 PolarHBondContact O-N 2.71Å
201M87.7Confident90.5Very high17 Ų1727.5 Ų27.58%0.08416%0.163CC..  trans-57.3145.4170.167.9179.9-173.100110.7M187 L195 S198 A199 A203 R226M187-M201 HydrophobicContact CB-CE 4.18Å; M187-M201 HydrophobicContact CB-CG 3.7Å; M187-M201 WeakPolarHBondContact CB-O 3.4Å; M187-M201 HydrophobicContact CE-CE 3.66Å; M187-M201 HydrophobicContact CG-CE 3.9Å; M187-M201 HydrophobicContact CG-CG 4.39Å; M187-M201 PolarHBondContact N-O 3.02Å; L195-M201 HydrophobicContact CB-CE 4.21Å; L195-M201 HydrophobicContact CD1-CE 4.08Å; S198-M201 WeakPolarHBondContact O-CB 3.42Å; S198-M201 PolarHBondContact O-N 2.89Å; S198-M201 VanDerWaalsContact O-N 3.14Å; A199-M201 VanDerWaalsContact C-N 3.31Å; A199-M201 PolarHBondContact O-N 3.24Å; M201-A203 PolarHBondContact O-N 2.82Å; M201-R226 HydrophobicContact CE-CG 3.81Å
202P91.3Very high90.6Very high55 Ų5527.6 Ų27.636%0.35716%0.164SC..EExtended strand (participates in β ladder)trans-55.4139.7173.8-19.629.4000111.3F227P202-F227 HydrophobicContact CB-CB 3.83Å; P202-F227 HydrophobicContact CB-CD1 4.44Å; P202-F227 HydrophobicContact CB-CG 4.09Å; P202-F227 VanDerWaalsContact O-CB 3.32Å; P202-F227 WeakPolarHBondContact O-CB 3.43Å; P202-F227 PolarHBondContact O-N 3.48Å
203A94.3Very high90.9Very high2 Ų232.4 Ų32.42%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-150.4163.5-179.200000111.1V185 M187 M201 W225V185-A203 HydrophobicContact CG2-CB 3.95Å; V185-A203 PolarHBondContact N-O 3.3Å; V185-A203 PolarHBondContact O-N 3.29Å; V185-A203 VanDerWaalsContact O-O 3.1Å; M187-A203 HydrophobicContact CB-CB 4.11Å; M187-A203 HydrophobicContact CE-CB 3.61Å; M187-A203 HydrophobicContact SD-CB 4.27Å; M201-A203 PolarHBondContact O-N 2.82Å; A203-W225 VanDerWaalsContact CA-O 3.24Å; A203-W225 WeakPolarHBondContact CA-O 3.31Å; A203-W225 VanDerWaalsContact CB-O 3.3Å; A203-W225 WeakPolarHBondContact CB-O 3.22Å
204I95.1Very high91.4Very high23 Ų2330.1 Ų30.112%0.11818%0.178CC..EExtended strand (participates in β ladder)trans-114.6124.5170-59.1169.2000107.4I206 W225 F227 V230 L232I204-I206 HydrophobicContact CG2-CG1 3.99Å; I204-W225 PolarHBondContact N-O 3.33Å; I204-W225 PolarHBondContact O-N 3.18Å; I204-F227 HydrophobicContact CD1-CD2 4.06Å; I204-F227 HydrophobicContact CD1-CE2 4.37Å; I204-F227 HydrophobicContact CG1-CD2 3.93Å; I204-F227 HydrophobicContact CG1-CE2 4.5Å; I204-V230 HydrophobicContact CD1-CG1 4.15Å; I204-L232 HydrophobicContact CD1-CD1 4.29Å; I204-L232 HydrophobicContact CG2-CD1 3.96Å
205L96.2Very high91.8Very high16 Ų1627.9 Ų27.98%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-91.2129.6168.9-177.6156.1000108.8F182 K183 V185 E207 I222 E223 Y224F182-L205 WeakPolarHBondContact CA-O 3.48Å; K183-L205 HydrophobicContact CB-CB 4.34Å; K183-L205 HydrophobicContact CD-CD2 4.34Å; K183-L205 PolarHBondContact N-O 2.77Å; K183-L205 PolarHBondContact O-N 2.84Å; V185-L205 HydrophobicContact CG1-CB 3.92Å; V185-L205 HydrophobicContact CG2-CB 3.86Å; L205-E207 HydrophobicContact CD2-CB 4.06Å; L205-I222 HydrophobicContact CD1-CG2 3.99Å; L205-I222 HydrophobicContact CD2-CG2 4.34Å; L205-I222 HydrophobicContact CG-CG2 4.1Å; L205-E223 CarbonylContact C-O 3.59Å; L205-E223 VanDerWaalsContact CA-O 3.25Å; L205-E223 WeakPolarHBondContact CA-O 3.45Å; L205-Y224 HydrophobicContact CD1-CD1 4.32Å; L205-Y224 HydrophobicContact CD1-CE1 3.63Å; L205-Y224 HydrophobicContact CD1-CE2 4.47Å; L205-Y224 HydrophobicContact CG-CE1 4.4Å
206I95.6Very high92.1Very high0 Ų030.1 Ų30.10%019%0.189CC..EExtended strand (participates in β ladder)trans-121.5119.1177.4-50.1177.6000107.7Y77 P79 L180 I181 F182 I204 K208 E223 W225 L232Y77-I206 HydrophobicContact CD1-CD1 3.78Å; Y77-I206 HydrophobicContact CE1-CD1 3.62Å; P79-I206 HydrophobicContact CB-CG2 4.12Å; L180-I206 HydrophobicContact CD1-CG2 3.77Å; I181-I206 WeakPolarHBondContact O-CA 3.16Å; F182-I206 HydrophobicContact CD1-CB 4.42Å; F182-I206 HydrophobicContact CD1-CD1 4.4Å; F182-I206 HydrophobicContact CD1-CG1 3.89Å; F182-I206 HydrophobicContact CD1-CG2 4.09Å; F182-I206 HydrophobicContact CE1-CB 4.5Å; F182-I206 HydrophobicContact CE1-CD1 4.16Å; F182-I206 HydrophobicContact CE1-CG1 4.07Å; F182-I206 HydrophobicContact CE1-CG2 3.8Å; I204-I206 HydrophobicContact CG2-CG1 3.99Å; I206-K208 HydrophobicContact CG2-CG 4.07Å; I206-E223 HydrophobicContact CB-CB 4.33Å; I206-E223 PolarHBondContact N-O 2.95Å; I206-E223 PolarHBondContact O-N 3.47Å; I206-W225 VanDerWaalsContact CD1-CD1 3.46Å; I206-W225 HydrophobicContact CD1-CG 4.19Å; I206-L232 HydrophobicContact CD1-CD1 4.34Å; I206-L232 HydrophobicContact CD1-CD2 3.52Å
207E96.4Very high92.7Very high10 Ų1029.9 Ų29.95%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-112118.5179.6179.2-168.9140.700108.4T112 L180 I181 K183 L205 H209 D221T112-E207 HydrophobicContact CG2-CG 4.46Å; T112-E207 WeakPolarHBondContact CG2-OE1 3.17Å; L180-E207 WeakPolarHBondContact CA-O 3.48Å; I181-E207 HydrophobicContact CB-CB 4.18Å; I181-E207 WeakPolarHBondContact CD1-OE1 3.47Å; I181-E207 PolarHBondContact N-O 2.82Å; I181-E207 PolarHBondContact O-N 2.77Å; K183-E207 IonicContact NZ-OE2 3.07Å; K183-E207 PolarHBondContact NZ-OE2 2.81Å; L205-E207 HydrophobicContact CD2-CB 4.06Å; E207-H209 IonicContact OE1-CD2 2.66Å; E207-H209 IonicContact OE1-CE1 3.69Å; E207-H209 IonicContact OE1-NE2 3.48Å; E207-H209 PolarHBondContact OE1-NE2 3.33Å; E207-D221 CarbonylContact C-O 3.27Å; E207-D221 VanDerWaalsContact CA-O 3.27Å; E207-D221 WeakPolarHBondContact CA-O 3.25Å
208K95.8Very high93.5Very high10 Ų1029.8 Ų29.84%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-115.8121.8-176.3-56.2-176.5-70.7-170.10109.4Y77 P79 L180 I206 I220 D221 E223Y77-K208 PolarHBondContact OH-NZ 2.65Å; P79-K208 HydrophobicContact CB-CD 4.25Å; L180-K208 HydrophobicContact CD1-CD 4.37Å; L180-K208 HydrophobicContact CD1-CG 3.62Å; I206-K208 HydrophobicContact CG2-CG 4.07Å; K208-I220 CarbonylContact O-C 3.56Å; K208-I220 VanDerWaalsContact O-CA 3.28Å; K208-I220 WeakPolarHBondContact O-CA 3.13Å; K208-D221 HydrophobicContact CB-CB 4.17Å; K208-D221 PolarHBondContact N-O 2.89Å; K208-D221 PolarHBondContact O-N 3.07Å; K208-E223 WeakPolarHBondContact CE-OE1 3.41Å; K208-E223 IonicContact NZ-OE1 2.89Å; K208-E223 PolarHBondContact NZ-OE1 3.03Å; K208-E223 IonicContact NZ-OE2 3.83Å
209H96.7Very high94.3Very high6 Ų629.1 Ų29.13%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-102.1112.6171-62.8-127.4000107.7K178 K179 E207 I217 I220K178-H209 PolarHBondContact N-O 3.05Å; K179-H209 HydrophobicContact CB-CB 3.95Å; K179-H209 PolarHBondContact N-O 2.75Å; K179-H209 PolarHBondContact O-N 2.79Å; E207-H209 IonicContact OE1-CD2 2.66Å; E207-H209 IonicContact OE1-CE1 3.69Å; E207-H209 IonicContact OE1-NE2 3.48Å; E207-H209 PolarHBondContact OE1-NE2 3.33Å; H209-I217 HydrophobicContact CB-CD1 3.91Å; H209-I217 HydrophobicContact CB-CG2 4.3Å; H209-I220 HydrophobicContact CB-CG1 4.49Å
210R96.1Very high95Very high15 Ų1525.3 Ų25.36%0.05714%0.141CC..EExtended strand (participates in β ladder)trans-99.1129.8-178.4-65.2-178.3-177.8-81.2-11.6110.3V176 V177 I217 V218 Q219 D221V176-R210 CarbonylContact O-C 3.52Å; V176-R210 VanDerWaalsContact O-CA 3.24Å; V176-R210 WeakPolarHBondContact O-CA 3.25Å; V177-R210 HydrophobicContact CG2-CG 4.32Å; R210-I217 WeakPolarHBondContact O-CA 3.48Å; R210-V218 PolarHBondContact O-N 3.28Å; R210-Q219 HydrophobicContact CB-CB 4.16Å; R210-Q219 PolarHBondContact N-O 3.15Å; R210-Q219 PolarHBondContact O-N 3.08Å; R210-D221 IonicContact CZ-OD2 3.93Å; R210-D221 IonicContact NE-OD2 3.12Å; R210-D221 PolarHBondContact NE-OD2 3.28Å; R210-D221 IonicContact NH2-OD2 3.03Å
211A96.4Very high95.5Very high2 Ų224.1 Ų24.12%0.01713%0.128CC..EExtended strand (participates in β ladder)trans-105.5149.1176.900000111.8T175 V176 K178 N216 I217T175-A211 CarbonylContact C-O 3.56Å; T175-A211 VanDerWaalsContact CA-O 3.24Å; T175-A211 WeakPolarHBondContact CA-O 3.5Å; V176-A211 PolarHBondContact N-O 3.21Å; V176-A211 PolarHBondContact O-N 3.26Å; K178-A211 HydrophobicContact CB-CB 3.81Å; K178-A211 HydrophobicContact CD-CB 3.74Å; K178-A211 HydrophobicContact CG-CB 4.38Å; A211-N216 CarbonylContact C-O 3.6Å; A211-N216 WeakPolarHBondContact CA-O 3.46Å; A211-I217 HydrophobicContact CB-CD1 4.07Å
212D95.5Very high95.9Very high7 Ų724.5 Ų24.54%0.03713%0.13CC..  trans-78-177.7166.266.514.2000112.1K173 Q214 G215 N216 V218K173-D212 HydrophobicContact CD-CB 4.07Å; K173-D212 HydrophobicContact CG-CB 4.29Å; K173-D212 IonicContact NZ-OD2 3.29Å; K173-D212 PolarHBondContact NZ-OD2 3.39Å; D212-Q214 PolarHBondContact O-N 3.49Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.44Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.35Å; D212-Q214 PolarHBondContact OD1-N 2.97Å; D212-Q214 PolarHBondContact OD2-OE1 2.73Å; D212-G215 PolarHBondContact O-N 2.83Å; D212-G215 PolarHBondContact OD1-N 3.13Å; D212-G215 VanDerWaalsContact OD1-N 3.13Å; D212-N216 PolarHBondContact N-O 2.99Å; D212-N216 PolarHBondContact OD1-N 3.27Å; D212-V218 HydrophobicContact CB-CG1 3.92Å; D212-V218 HydrophobicContact CB-CG2 4.36Å
213Q94.4Very high96.1Very high102 Ų10222.5 Ų22.548%0.47712%0.116SC..THydrogen-bonded Turntrans-65.6-17.1-179.2-50.997.6-36.400113.6Q172 E174 G215Q172-Q213 PolarHBondContact O-NE2 2.99Å; E174-Q213 HydrophobicContact CB-CG 4.32Å; Q213-G215 VanDerWaalsContact C-N 3.3Å
214Q94.4Very high96.2Very high125 Ų12524.2 Ų24.258%0.58412%0.122SC*.THydrogen-bonded Turntrans-87.2-3.9173.5-65.976.855.400112D212 N216D212-Q214 PolarHBondContact O-N 3.49Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.44Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.35Å; D212-Q214 PolarHBondContact OD1-N 2.97Å; D212-Q214 PolarHBondContact OD2-OE1 2.73Å; Q214-N216 VanDerWaalsContact C-N 3.34Å
215G95.3Very high96.3Very high25 Ų2523.1 Ų23.126%0.25812%0.117SC..SBendtrans82.49.9-179.100000113.9K178 D212 Q213K178-G215 PolarHBondContact NZ-O 3.31Å; D212-G215 PolarHBondContact O-N 2.83Å; D212-G215 PolarHBondContact OD1-N 3.13Å; D212-G215 VanDerWaalsContact OD1-N 3.13Å; Q213-G215 VanDerWaalsContact C-N 3.3Å
216N96.5Very high96.2Very high53 Ų5322.5 Ų22.528%0.28311%0.113SC..  trans-80.8135.7177.5-58.7-44.3000109.7V119 A211 D212 Q214 V218V119-N216 HydrophobicContact CG2-CB 4.37Å; A211-N216 CarbonylContact C-O 3.6Å; A211-N216 WeakPolarHBondContact CA-O 3.46Å; D212-N216 PolarHBondContact N-O 2.99Å; D212-N216 PolarHBondContact OD1-N 3.27Å; Q214-N216 VanDerWaalsContact C-N 3.34Å; N216-V218 PolarHBondContact O-N 2.72Å
217I97.9Very high96Very high30 Ų3026.3 Ų26.315%0.15413%0.13CC..EExtended strand (participates in β ladder)trans-70.2119173.7-58.7-52.9000108.8P115 L116 K178 H209 R210 A211 I220P115-I217 HydrophobicContact CB-CB 4.06Å; P115-I217 HydrophobicContact CB-CG1 4.04Å; P115-I217 HydrophobicContact CB-CG2 4.19Å; L116-I217 HydrophobicContact CD2-CG2 3.94Å; L116-I217 HydrophobicContact CG-CG2 4.41Å; K178-I217 HydrophobicContact CB-CD1 4.05Å; K178-I217 HydrophobicContact CD-CD1 3.91Å; K178-I217 HydrophobicContact CG-CD1 4.42Å; H209-I217 HydrophobicContact CB-CD1 3.91Å; H209-I217 HydrophobicContact CB-CG2 4.3Å; R210-I217 WeakPolarHBondContact O-CA 3.48Å; A211-I217 HydrophobicContact CB-CD1 4.07Å; I217-I220 HydrophobicContact CG2-CD1 4.23Å; I217-I220 HydrophobicContact CG2-CG1 3.85Å
218V97.5Very high95.9Very high2 Ų226.5 Ų26.51%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-114.7-19.8-177.1-62.80000113.2L116 V150 W167 T175 R210 D212 N216L116-V218 WeakPolarHBondContact CD2-O 3.46Å; V150-V218 HydrophobicContact CG1-CB 4.4Å; V150-V218 HydrophobicContact CG1-CG1 3.96Å; W167-V218 HydrophobicContact CH2-CB 3.75Å; W167-V218 HydrophobicContact CH2-CG2 4.1Å; W167-V218 HydrophobicContact CZ2-CB 3.91Å; W167-V218 HydrophobicContact CZ2-CG2 3.93Å; W167-V218 WeakPolarHBondContact CZ2-O 3.44Å; W167-V218 HydrophobicContact CZ3-CB 4.39Å; T175-V218 HydrophobicContact CG2-CG2 3.8Å; R210-V218 PolarHBondContact O-N 3.28Å; D212-V218 HydrophobicContact CB-CG1 3.92Å; D212-V218 HydrophobicContact CB-CG2 4.36Å; N216-V218 PolarHBondContact O-N 2.72Å
219Q97.8Very high95.8Very high3 Ų326.4 Ų26.41%0.01413%0.132CC..EExtended strand (participates in β ladder)trans-144.2137177.8171.8178.3-29.800110.3T144 Y145 I146 W167 R210 D221T144-Q219 HydrophobicContact CG2-CG 3.73Å; Y145-Q219 WeakPolarHBondContact O-CA 3.38Å; I146-Q219 HydrophobicContact CD1-CG 4.48Å; I146-Q219 HydrophobicContact CG1-CB 4.13Å; I146-Q219 HydrophobicContact CG1-CG 4.14Å; W167-Q219 HydrophobicContact CZ2-CB 4.36Å; R210-Q219 HydrophobicContact CB-CB 4.16Å; R210-Q219 PolarHBondContact N-O 3.15Å; R210-Q219 PolarHBondContact O-N 3.08Å; Q219-D221 VanDerWaalsContact NE2-CG 3.26Å; Q219-D221 PolarHBondContact NE2-OD1 2.98Å; Q219-D221 PolarHBondContact NE2-OD2 2.83Å
220I98.1Very high95.7Very high0 Ų026.2 Ų26.20%013%0.131CC..EExtended strand (participates in β ladder)trans-120124.8167.4-64.9173.8000108.6T112 L113 L116 T144 Y145 K208 H209 I217 I222T112-I220 WeakPolarHBondContact O-CD1 3.49Å; L113-I220 HydrophobicContact CD2-CB 4.14Å; L113-I220 HydrophobicContact CD2-CD1 4.1Å; L113-I220 HydrophobicContact CD2-CG2 3.98Å; L116-I220 HydrophobicContact CD1-CB 4.05Å; L116-I220 HydrophobicContact CD1-CD1 3.87Å; L116-I220 HydrophobicContact CD1-CG1 3.96Å; L116-I220 HydrophobicContact CD2-CD1 4.48Å; L116-I220 HydrophobicContact CD2-CG1 4.15Å; L116-I220 HydrophobicContact CG-CD1 3.73Å; L116-I220 HydrophobicContact CG-CG1 3.89Å; T144-I220 CarbonylContact C-O 3.51Å; T144-I220 WeakPolarHBondContact CA-O 3.39Å; Y145-I220 PolarHBondContact N-O 3.08Å; Y145-I220 PolarHBondContact O-N 3.24Å; K208-I220 CarbonylContact O-C 3.56Å; K208-I220 VanDerWaalsContact O-CA 3.28Å; K208-I220 WeakPolarHBondContact O-CA 3.13Å; H209-I220 HydrophobicContact CB-CG1 4.49Å; I217-I220 HydrophobicContact CG2-CD1 4.23Å; I217-I220 HydrophobicContact CG2-CG1 3.85Å; I220-I222 HydrophobicContact CG2-CG1 4.41Å
221D96.6Very high95.6Very high4 Ų428.4 Ų28.42%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-105.6133.6173-53.9-64.5000109.7E143 T144 E207 K208 R210 Q219 E223E143-D221 CarbonylContact O-C 3.56Å; T144-D221 WeakPolarHBondContact CB-OD1 3.38Å; T144-D221 WeakPolarHBondContact CG2-OD1 3.48Å; T144-D221 PolarHBondContact OG1-OD1 3.1Å; E207-D221 CarbonylContact C-O 3.27Å; E207-D221 VanDerWaalsContact CA-O 3.27Å; E207-D221 WeakPolarHBondContact CA-O 3.25Å; K208-D221 HydrophobicContact CB-CB 4.17Å; K208-D221 PolarHBondContact N-O 2.89Å; K208-D221 PolarHBondContact O-N 3.07Å; R210-D221 IonicContact CZ-OD2 3.93Å; R210-D221 IonicContact NE-OD2 3.12Å; R210-D221 PolarHBondContact NE-OD2 3.28Å; R210-D221 IonicContact NH2-OD2 3.03Å; Q219-D221 VanDerWaalsContact NE2-CG 3.26Å; Q219-D221 PolarHBondContact NE2-OD1 2.98Å; Q219-D221 PolarHBondContact NE2-OD2 2.83Å; D221-E223 HydrophobicContact CB-CG 4.47Å
222I96.3Very high95.3Very high24 Ų2431 Ų3112%0.12316%0.157CC..EExtended strand (participates in β ladder)trans-117.9109.5169.5-54.1178.7000107.2H142 E143 Y145 L205 I220 Y224H142-I222 CarbonylContact C-O 3.54Å; H142-I222 WeakPolarHBondContact CA-O 3.21Å; E143-I222 PolarHBondContact N-O 2.95Å; E143-I222 PolarHBondContact O-N 3.28Å; Y145-I222 HydrophobicContact CE2-CD1 4.06Å; L205-I222 HydrophobicContact CD1-CG2 3.99Å; L205-I222 HydrophobicContact CD2-CG2 4.34Å; L205-I222 HydrophobicContact CG-CG2 4.1Å; I220-I222 HydrophobicContact CG2-CG1 4.41Å; I222-Y224 HydrophobicContact CG2-CD2 4.41Å; I222-Y224 HydrophobicContact CG2-CE2 3.7Å
223E96Very high95Very high13 Ų1333.5 Ų33.56%0.06117%0.17CC..EExtended strand (participates in β ladder)trans-112132.5-176.3-55.5-179.7166.800110.6Y77 Y141 H142 L205 I206 K208 D221 W225Y77-E223 WeakPolarHBondContact CE1-OE2 3.08Å; Y77-E223 VanDerWaalsContact OH-CD 3.31Å; Y77-E223 PolarHBondContact OH-OE1 3.25Å; Y77-E223 PolarHBondContact OH-OE2 2.98Å; Y141-E223 CarbonylContact O-C 3.52Å; Y141-E223 WeakPolarHBondContact O-CA 3.39Å; H142-E223 HydrophobicContact CB-CG 3.95Å; L205-E223 CarbonylContact C-O 3.59Å; L205-E223 VanDerWaalsContact CA-O 3.25Å; L205-E223 WeakPolarHBondContact CA-O 3.45Å; I206-E223 HydrophobicContact CB-CB 4.33Å; I206-E223 PolarHBondContact N-O 2.95Å; I206-E223 PolarHBondContact O-N 3.47Å; K208-E223 WeakPolarHBondContact CE-OE1 3.41Å; K208-E223 IonicContact NZ-OE1 2.89Å; K208-E223 PolarHBondContact NZ-OE1 3.03Å; K208-E223 IonicContact NZ-OE2 3.83Å; D221-E223 HydrophobicContact CB-CG 4.47Å; E223-W225 PolarHBondContact OE2-NE1 2.85Å
224Y96.2Very high94.5Very high38 Ų3832.9 Ų32.915%0.14917%0.169CC..EExtended strand (participates in β ladder)trans-109.1105.3174.2-64.4-99.1000109.2F140 Y141 V185 M187 P188 I191 L205 I222F140-Y224 WeakPolarHBondContact CA-O 3.2Å; F140-Y224 WeakPolarHBondContact CB-O 3.29Å; Y141-Y224 HydrophobicContact CD1-CD2 4.09Å; Y141-Y224 PolarHBondContact N-O 3.42Å; Y141-Y224 PolarHBondContact O-N 2.84Å; V185-Y224 HydrophobicContact CG2-CD1 4.44Å; M187-Y224 VanDerWaalsContact SD-CB 3.57Å; M187-Y224 HydrophobicContact SD-CD1 3.95Å; M187-Y224 HydrophobicContact SD-CG 4.08Å; P188-Y224 HydrophobicContact CG-CD1 4.49Å; P188-Y224 HydrophobicContact CG-CE1 3.89Å; I191-Y224 HydrophobicContact CD1-CD1 4.13Å; I191-Y224 HydrophobicContact CD1-CD2 3.63Å; I191-Y224 HydrophobicContact CD1-CE1 4.06Å; I191-Y224 HydrophobicContact CD1-CE2 3.56Å; I191-Y224 HydrophobicContact CD1-CG 3.91Å; L205-Y224 HydrophobicContact CD1-CD1 4.32Å; L205-Y224 HydrophobicContact CD1-CE1 3.63Å; L205-Y224 HydrophobicContact CD1-CE2 4.47Å; L205-Y224 HydrophobicContact CG-CE1 4.4Å; I222-Y224 HydrophobicContact CG2-CD2 4.41Å; I222-Y224 HydrophobicContact CG2-CE2 3.7Å
225W95.8Very high93.8Very high0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-95.5138.2179.8-73.378.9000111.6F75 Y77 F85 V139 F140 A203 I204 I206 E223 F227 V230F75-W225 AromaticContact CD1-CH2 3.67Å; F75-W225 HydrophobicContact CD1-CH2 3.67Å; F75-W225 AromaticContact CD1-CZ3 3.69Å; F75-W225 HydrophobicContact CD1-CZ3 3.69Å; F75-W225 AromaticContact CE1-CH2 3.77Å; F75-W225 HydrophobicContact CE1-CH2 3.77Å; F75-W225 HydrophobicContact CE1-CZ3 4.28Å; Y77-W225 HydrophobicContact CD1-CD2 4.5Å; Y77-W225 AromaticContact CD1-CE2 3.77Å; Y77-W225 HydrophobicContact CD1-CH2 4.26Å; Y77-W225 AromaticContact CD1-CZ2 3.64Å; Y77-W225 HydrophobicContact CD1-CZ2 3.64Å; Y77-W225 HydrophobicContact CD2-CH2 4.27Å; Y77-W225 HydrophobicContact CD2-CZ2 4.07Å; Y77-W225 AromaticContact CE1-CE2 3.64Å; Y77-W225 AromaticContact CE1-CZ2 3.52Å; Y77-W225 HydrophobicContact CE1-CZ2 3.52Å; Y77-W225 AromaticContact CE1-NE1 3.57Å; Y77-W225 AromaticContact CE2-CZ2 3.99Å; Y77-W225 HydrophobicContact CE2-CZ2 3.99Å; Y77-W225 HydrophobicContact CG-CH2 4.12Å; Y77-W225 AromaticContact CG-CZ2 3.9Å; Y77-W225 HydrophobicContact CG-CZ2 3.9Å; Y77-W225 AromaticContact CZ-CZ2 3.7Å; F85-W225 AromaticContact CD2-CH2 3.97Å; F85-W225 HydrophobicContact CD2-CH2 3.97Å; F85-W225 HydrophobicContact CE2-CH2 4.05Å; V139-W225 HydrophobicContact CB-CZ3 4.5Å; V139-W225 HydrophobicContact CG2-CZ3 4.11Å; F140-W225 HydrophobicContact CB-CB 4.43Å; F140-W225 HydrophobicContact CB-CD2 3.51Å; F140-W225 HydrophobicContact CB-CE3 3.83Å; F140-W225 HydrophobicContact CB-CG 3.79Å; F140-W225 HydrophobicContact CB-CH2 4.5Å; F140-W225 HydrophobicContact CB-CZ2 4.2Å; F140-W225 HydrophobicContact CB-CZ3 4.32Å; F140-W225 HydrophobicContact CD1-CD2 4.13Å; F140-W225 AromaticContact CD1-CE2 3.81Å; F140-W225 AromaticContact CD1-CE3 3.97Å; F140-W225 HydrophobicContact CD1-CE3 3.97Å; F140-W225 AromaticContact CD1-CH2 3.27Å; F140-W225 HydrophobicContact CD1-CH2 3.27Å; F140-W225 AromaticContact CD1-CZ2 3.39Å; F140-W225 HydrophobicContact CD1-CZ2 3.39Å; F140-W225 AromaticContact CD1-CZ3 3.57Å; F140-W225 HydrophobicContact CD1-CZ3 3.57Å; F140-W225 HydrophobicContact CD2-CZ2 4.47Å; F140-W225 AromaticContact CE1-CH2 3.67Å; F140-W225 HydrophobicContact CE1-CH2 3.67Å; F140-W225 AromaticContact CE1-CZ2 3.82Å; F140-W225 HydrophobicContact CE1-CZ2 3.82Å; F140-W225 HydrophobicContact CE1-CZ3 4.33Å; F140-W225 HydrophobicContact CG-CD2 4.05Å; F140-W225 AromaticContact CG-CE2 3.76Å; F140-W225 HydrophobicContact CG-CE3 4.29Å; F140-W225 HydrophobicContact CG-CH2 4.08Å; F140-W225 AromaticContact CG-CZ2 3.79Å; F140-W225 HydrophobicContact CG-CZ2 3.79Å; F140-W225 HydrophobicContact CG-CZ3 4.31Å; A203-W225 VanDerWaalsContact CA-O 3.24Å; A203-W225 WeakPolarHBondContact CA-O 3.31Å; A203-W225 VanDerWaalsContact CB-O 3.3Å; A203-W225 WeakPolarHBondContact CB-O 3.22Å; I204-W225 PolarHBondContact N-O 3.33Å; I204-W225 PolarHBondContact O-N 3.18Å; I206-W225 VanDerWaalsContact CD1-CD1 3.46Å; I206-W225 HydrophobicContact CD1-CG 4.19Å; E223-W225 PolarHBondContact OE2-NE1 2.85Å; W225-F227 PolarHBondContact O-N 3.42Å; W225-V230 HydrophobicContact CB-CG1 3.84Å; W225-V230 HydrophobicContact CD2-CB 4.33Å; W225-V230 HydrophobicContact CD2-CG1 4.45Å; W225-V230 HydrophobicContact CD2-CG2 4.17Å; W225-V230 HydrophobicContact CE3-CB 3.7Å; W225-V230 HydrophobicContact CE3-CG1 4.21Å; W225-V230 HydrophobicContact CE3-CG2 3.74Å; W225-V230 HydrophobicContact CG-CG1 4.36Å; W225-V230 HydrophobicContact CZ3-CB 4.27Å; W225-V230 HydrophobicContact CZ3-CG2 4.04Å
226R94.3Very high93.1Very high4 Ų442.7 Ų42.72%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-62.8125.1168.5-67.3-173.369.799.29.8109H137 K138 V139 L195 M201 E228 A229H137-R226 PolarHBondContact CE1-NE 2.84Å; H137-R226 PolarHBondContact NE2-NE 2.99Å; K138-R226 WeakPolarHBondContact O-CD 3.47Å; V139-R226 WeakPolarHBondContact O-CB 3.44Å; V139-R226 WeakPolarHBondContact O-CG 3.04Å; V139-R226 PolarHBondContact O-N 2.89Å; L195-R226 HydrophobicContact CD1-CG 4.24Å; L195-R226 PolarHBondContact O-NH1 3.11Å; L195-R226 VanDerWaalsContact O-NH1 3.14Å; M201-R226 HydrophobicContact CE-CG 3.81Å; R226-E228 IonicContact CZ-OE1 3.24Å; R226-E228 IonicContact NE-OE1 2.81Å; R226-E228 PolarHBondContact NE-OE1 3.06Å; R226-E228 IonicContact NE-OE2 3.67Å; R226-E228 IonicContact NH2-OE1 3.27Å; R226-E228 PolarHBondContact NH2-OE1 3.44Å; R226-E228 PolarHBondContact O-N 3.13Å; R226-A229 HydrophobicContact CB-CB 3.92Å; R226-A229 PolarHBondContact O-N 2.79Å
227F92.6Very high92.9Very high79 Ų7942.2 Ų42.235%0.34622%0.215SC..G310 helixtrans-61-35-172.2-179-96.9000112.9S58 R74 P202 I204 W225 A229S58-F227 WeakPolarHBondContact OG-CD1 3.32Å; R74-F227 PolarHBondContact NH2-O 3.32Å; P202-F227 HydrophobicContact CB-CB 3.83Å; P202-F227 HydrophobicContact CB-CD1 4.44Å; P202-F227 HydrophobicContact CB-CG 4.09Å; P202-F227 VanDerWaalsContact O-CB 3.32Å; P202-F227 WeakPolarHBondContact O-CB 3.43Å; P202-F227 PolarHBondContact O-N 3.48Å; I204-F227 HydrophobicContact CD1-CD2 4.06Å; I204-F227 HydrophobicContact CD1-CE2 4.37Å; I204-F227 HydrophobicContact CG1-CD2 3.93Å; I204-F227 HydrophobicContact CG1-CE2 4.5Å; W225-F227 PolarHBondContact O-N 3.42Å; F227-A229 PolarHBondContact O-N 3.21Å
228E92.9Very high92.7Very high15 Ų1542.8 Ų42.87%0.0722%0.218CC..G310 helixtrans-74.7-13.7179.875.1-84.2-159.300113.7F61 T71 H137 R226F61-E228 HydrophobicContact CB-CG 3.97Å; F61-E228 HydrophobicContact CD1-CG 4.46Å; F61-E228 HydrophobicContact CG-CG 4.29Å; T71-E228 HydrophobicContact CG2-CB 3.83Å; T71-E228 HydrophobicContact CG2-CG 3.88Å; T71-E228 VanDerWaalsContact CG2-O 3.24Å; T71-E228 WeakPolarHBondContact CG2-O 3.39Å; H137-E228 IonicContact NE2-OE1 2.89Å; R226-E228 IonicContact CZ-OE1 3.24Å; R226-E228 IonicContact NE-OE1 2.81Å; R226-E228 PolarHBondContact NE-OE1 3.06Å; R226-E228 IonicContact NE-OE2 3.67Å; R226-E228 IonicContact NH2-OE1 3.27Å; R226-E228 PolarHBondContact NH2-OE1 3.44Å; R226-E228 PolarHBondContact O-N 3.13Å
229A94.4Very high92.4Very high8 Ų845.1 Ų45.17%0.06623%0.23CC..G310 helixtrans-103.1-9.4-166.100000114.5F75 V139 R226 F227F75-A229 WeakPolarHBondContact CB-O 3.45Å; F75-A229 PolarHBondContact N-O 3.14Å; V139-A229 HydrophobicContact CB-CB 3.91Å; V139-A229 HydrophobicContact CG1-CB 3.59Å; R226-A229 HydrophobicContact CB-CB 3.92Å; R226-A229 PolarHBondContact O-N 2.79Å; F227-A229 PolarHBondContact O-N 3.21Å
230V94.7Very high92.1Very high1 Ų147.5 Ų47.51%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-136.7137.4-168.2690000112.7R74 F75 Y77 I204 W225 L232R74-V230 VanDerWaalsContact CZ-O 3.31Å; R74-V230 PolarHBondContact NE-O 3.05Å; R74-V230 VanDerWaalsContact NE-O 3.15Å; R74-V230 PolarHBondContact NH2-O 3.47Å; F75-V230 WeakPolarHBondContact O-CA 3.47Å; Y77-V230 HydrophobicContact CD1-CG2 4.38Å; Y77-V230 HydrophobicContact CG-CG2 4.39Å; I204-V230 HydrophobicContact CD1-CG1 4.15Å; W225-V230 HydrophobicContact CB-CG1 3.84Å; W225-V230 HydrophobicContact CD2-CB 4.33Å; W225-V230 HydrophobicContact CD2-CG1 4.45Å; W225-V230 HydrophobicContact CD2-CG2 4.17Å; W225-V230 HydrophobicContact CE3-CB 3.7Å; W225-V230 HydrophobicContact CE3-CG1 4.21Å; W225-V230 HydrophobicContact CE3-CG2 3.74Å; W225-V230 HydrophobicContact CG-CG1 4.36Å; W225-V230 HydrophobicContact CZ3-CB 4.27Å; W225-V230 HydrophobicContact CZ3-CG2 4.04Å; V230-L232 HydrophobicContact CG2-CD2 4.14Å
231D93.4Very high91.7Very high61 Ų6150.5 Ų50.533%0.32626%0.257SS..EExtended strand (participates in β ladder)trans-107.7132.3159.8-74.6-35.4000108.6R74 F75 Y77 I233R74-D231 VanDerWaalsContact CB-OD2 3.28Å; R74-D231 WeakPolarHBondContact CB-OD2 3.5Å; R74-D231 WeakPolarHBondContact CD-OD1 3.41Å; R74-D231 WeakPolarHBondContact CD-OD2 3.33Å; R74-D231 IonicContact CZ-OD1 3.98Å; R74-D231 IonicContact NE-OD1 3.61Å; R74-D231 PolarHBondContact NE-OD1 2.63Å; R74-D231 IonicContact NE-OD2 3.99Å; R74-D231 IonicContact NH2-OD1 2.6Å; F75-D231 PolarHBondContact O-N 2.89Å; Y77-D231 PolarHBondContact N-O 3.06Å; D231-I233 HydrophobicContact CB-CD1 4.25Å
232L90.9Very high91.4Very high56 Ų5653.6 Ų53.629%0.29327%0.273SS..EExtended strand (participates in β ladder)trans-92.4114.3176.5-63.9175.7000109Y77 F182 I204 I206 V230Y77-L232 HydrophobicContact CD1-CD2 3.71Å; Y77-L232 HydrophobicContact CG-CD2 4.45Å; Y77-L232 WeakPolarHBondContact O-CA 3.27Å; F182-L232 HydrophobicContact CD1-CD1 3.44Å; F182-L232 VanDerWaalsContact CD1-CD1 3.44Å; F182-L232 HydrophobicContact CE1-CD1 3.49Å; F182-L232 VanDerWaalsContact CE1-CD1 3.49Å; F182-L232 HydrophobicContact CE1-CD2 4.14Å; F182-L232 HydrophobicContact CE1-CG 4.32Å; F182-L232 HydrophobicContact CG-CD1 4.4Å; F182-L232 HydrophobicContact CZ-CD1 4.46Å; I204-L232 HydrophobicContact CD1-CD1 4.29Å; I204-L232 HydrophobicContact CG2-CD1 3.96Å; I206-L232 HydrophobicContact CD1-CD1 4.34Å; I206-L232 HydrophobicContact CD1-CD2 3.52Å; V230-L232 HydrophobicContact CG2-CD2 4.14Å
233I89.1Confident91.1Very high61 Ų6155.7 Ų55.731%0.31328%0.284SS..  trans-107.5113.4-177.8-53.3-57.2000108.2N76 Y77 S78 D231N76-I233 HydrophobicContact CB-CG1 3.92Å; Y77-I233 PolarHBondContact O-N 3.17Å; S78-I233 WeakPolarHBondContact CA-O 3.27Å; S78-I233 PolarHBondContact OG-O 3.21Å; D231-I233 HydrophobicContact CB-CD1 4.25Å
234I84.5Confident90.7Very high88 Ų8859 Ų5945%0.45130%0.301SS..  trans-112.6117172.8-57.4175.2000106.7F182 L236F182-I234 HydrophobicContact CE2-CD1 3.94Å; F182-I234 HydrophobicContact CZ-CD1 4.16Å; I234-L236 HydrophobicContact CG2-CD2 3.83Å; I234-L236 HydrophobicContact CG2-CG 4.42Å
235N80.3Confident90.2Very high126 Ų12660.8 Ų60.867%0.67431%0.314SS*.  trans-85118.6173.6-61-63.6000108.6
236L79.8Confident89.7Confident230 Ų23066.3 Ų66.3100%1.20434%0.342SS*.  trans-98.40-178.2-61.6176.1000111.6I234I234-L236 HydrophobicContact CG2-CD2 3.83Å; I234-L236 HydrophobicContact CG2-CG 4.42Å

Retrieved 236 of 236 residues in 269.5 ms (Link to these results)

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