A0A096MWE8_PAPAN Loading...

Cytosolic arginine sensor for mTORC1 subunit 2

AlphaFold DB (A6NHX0), UniProt , Accession A0A096MWE8, Species PAPAN (Papio anubis, Olive baboon), Gene CASTOR2, Length 329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.1Confident94.8Very high111 Ų11139 Ų3955%0.54718%0.179SC..  01580-71.3173.2-77.700107.9F143 T144M1-F143 HydrophobicContact CB-CD1 3.57Å; M1-F143 HydrophobicContact CB-CE1 3.43Å; M1-F143 VanDerWaalsContact CB-CE1 3.43Å; M1-F143 HydrophobicContact CB-CZ 4.48Å; M1-F143 HydrophobicContact CE-CE1 4.15Å; M1-F143 HydrophobicContact CE-CZ 4.11Å; M1-F143 HydrophobicContact CG-CE1 4.35Å; M1-F143 HydrophobicContact SD-CE1 4.09Å; M1-F143 HydrophobicContact SD-CZ 4.44Å; M1-T144 PolarHBondContact O-N 2.93Å; M1-T144 VanDerWaalsContact O-N 3.14Å
2E91.1Very high95.1Very high73 Ų7335.8 Ų35.834%0.34116%0.164SC..EExtended strand (participates in β ladder)trans-106.4141.1175.2-64.4179.4-178.600109.9H4 V82 T144 L146E2-H4 IonicContact OE2-CD2 2.59Å; E2-H4 IonicContact OE2-CE1 3.21Å; E2-H4 IonicContact OE2-NE2 2.96Å; E2-H4 PolarHBondContact OE2-NE2 3.1Å; E2-V82 HydrophobicContact CB-CB 4.41Å; E2-V82 PolarHBondContact N-O 3.43Å; E2-V82 PolarHBondContact O-N 3.1Å; E2-T144 WeakPolarHBondContact CA-O 3.28Å; E2-L146 HydrophobicContact CB-CD1 4.44Å; E2-L146 HydrophobicContact CG-CD1 4.25Å
3L94Very high95.4Very high1 Ų133 Ų331%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-115.5120.1169.7-178.277.2000107.5L79 V81 L139 F143 T144 I145 L146L3-L79 HydrophobicContact CD1-CB 4.12Å; L3-V81 HydrophobicContact CD1-CG2 3.64Å; L3-L139 HydrophobicContact CD2-CB 4.26Å; L3-L139 HydrophobicContact CD2-CD1 3.57Å; L3-F143 HydrophobicContact CB-CB 3.82Å; L3-F143 HydrophobicContact CB-CD1 3.98Å; L3-F143 HydrophobicContact CB-CG 3.95Å; L3-T144 PolarHBondContact N-O 2.76Å; L3-I145 HydrophobicContact CB-CG1 4.47Å; L3-I145 HydrophobicContact CD2-CD1 4.36Å; L3-I145 HydrophobicContact CD2-CG1 4.32Å; L3-I145 HydrophobicContact CD2-CG2 4.38Å; L3-I145 WeakPolarHBondContact O-CA 3.3Å; L3-L146 PolarHBondContact O-N 3.3Å
4H94.7Very high95.6Very high27 Ų2731.1 Ų31.113%0.12514%0.144CC..EExtended strand (participates in β ladder)trans-103120.8-178.7-72.1-139.1000109.1E2 L6 L79 N80 L146E2-H4 IonicContact OE2-CD2 2.59Å; E2-H4 IonicContact OE2-CE1 3.21Å; E2-H4 IonicContact OE2-NE2 2.96Å; E2-H4 PolarHBondContact OE2-NE2 3.1Å; H4-L6 HydrophobicContact CB-CD2 4.3Å; H4-L79 CarbonylContact O-C 3.58Å; H4-L79 WeakPolarHBondContact O-CA 3.29Å; H4-N80 PolarHBondContact N-O 3.43Å; H4-N80 PolarHBondContact O-N 2.93Å; H4-L146 CarbonylContact C-O 3.49Å; H4-L146 WeakPolarHBondContact CA-O 3.5Å
5I96.5Very high95.7Very high2 Ų229.1 Ų29.11%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-84.5111.4166.7-56.2155.9000106.6L77 L79 L132 T136 I145 L146 R147 V148 A156I5-L77 HydrophobicContact CG2-CD1 4.27Å; I5-L79 HydrophobicContact CB-CD2 4.15Å; I5-L79 HydrophobicContact CG1-CD2 3.66Å; I5-L79 HydrophobicContact CG2-CD2 4.19Å; I5-L132 HydrophobicContact CD1-CD1 3.86Å; I5-L132 HydrophobicContact CG1-CD1 4.15Å; I5-L132 HydrophobicContact CG2-CD1 4.28Å; I5-T136 HydrophobicContact CD1-CG2 4.06Å; I5-I145 HydrophobicContact CD1-CG2 3.63Å; I5-I145 HydrophobicContact CG1-CG2 4.1Å; I5-L146 PolarHBondContact N-O 3.07Å; I5-R147 HydrophobicContact CB-CB 4.45Å; I5-R147 HydrophobicContact CB-CG 4.31Å; I5-R147 HydrophobicContact CG2-CG 4.48Å; I5-R147 WeakPolarHBondContact O-CA 3.26Å; I5-V148 PolarHBondContact O-N 3.15Å; I5-A156 HydrophobicContact CD1-CB 4Å
6L96.2Very high95.7Very high15 Ų1529.1 Ų29.18%0.07914%0.141CC..EExtended strand (participates in β ladder)trans-73.9157.3-178.9-53.3-175.7000110.9H4 H8 A78 N80 F124 V148H4-L6 HydrophobicContact CB-CD2 4.3Å; L6-H8 PolarHBondContact O-N 3.05Å; L6-A78 HydrophobicContact CB-CB 4.35Å; L6-A78 WeakPolarHBondContact CB-O 3.48Å; L6-A78 HydrophobicContact CD1-CB 3.98Å; L6-A78 HydrophobicContact CG-CB 4.39Å; L6-A78 WeakPolarHBondContact CG-O 3.22Å; L6-A78 PolarHBondContact N-O 3.33Å; L6-N80 HydrophobicContact CD1-CB 4.5Å; L6-N80 HydrophobicContact CD2-CB 4.45Å; L6-F124 HydrophobicContact CD1-CD1 3.92Å; L6-F124 HydrophobicContact CD1-CE1 3.65Å; L6-V148 HydrophobicContact CD2-CG2 4.11Å
7E94.4Very high95.5Very high76 Ų7628.9 Ų28.936%0.35514%0.139SC..EExtended strand (participates in β ladder)trans-76-10.8-178.562.4-172.918000113.9R9 V148 N150 G151E7-R9 PolarHBondContact O-N 2.86Å; E7-V148 WeakPolarHBondContact CB-O 3.33Å; E7-V148 HydrophobicContact CG-CG1 4.39Å; E7-N150 VanDerWaalsContact OE2-CA 3.26Å; E7-N150 WeakPolarHBondContact OE2-CA 3.37Å; E7-N150 PolarHBondContact OE2-N 3.44Å; E7-G151 PolarHBondContact OE2-N 3.11Å; E7-G151 VanDerWaalsContact OE2-N 3.15Å
8H95.6Very high95.4Very high11 Ų1135.7 Ų35.75%0.05117%0.171CC..EExtended strand (participates in β ladder)trans-71.9113.1-176.7-48.6-57.1000110.9L6 L10 F41 D56 E235L6-H8 PolarHBondContact O-N 3.05Å; H8-L10 HydrophobicContact CB-CD2 3.67Å; H8-L10 HydrophobicContact CB-CG 4.19Å; H8-F41 HydrophobicContact CB-CB 4.17Å; H8-F41 HydrophobicContact CB-CD2 4.31Å; H8-F41 AromaticContact CD2-CD2 3.81Å; H8-D56 HydrophobicContact CB-CB 4.5Å; H8-E235 IonicContact CD2-OE1 3.06Å; H8-E235 IonicContact CE1-OE1 3.89Å; H8-E235 IonicContact NE2-OE1 2.82Å; H8-E235 PolarHBondContact NE2-OE1 3.12Å
9R98Very high95.4Very high85 Ų8534.2 Ų34.232%0.32117%0.165SC..EExtended strand (participates in β ladder)trans-86114.5166.2-66.517978.3-125.9-7.8107.8E7 D56 E57 T75 L77 E129E7-R9 PolarHBondContact O-N 2.86Å; R9-D56 CarbonylContact O-C 3.56Å; R9-D56 VanDerWaalsContact O-CA 3.26Å; R9-D56 WeakPolarHBondContact O-CA 3.12Å; R9-E57 HydrophobicContact CB-CG 3.9Å; R9-E57 IonicContact CZ-OE1 3.46Å; R9-E57 IonicContact CZ-OE2 3.28Å; R9-E57 IonicContact NH1-OE1 2.97Å; R9-E57 PolarHBondContact NH1-OE1 3.46Å; R9-E57 IonicContact NH1-OE2 2.93Å; R9-E57 PolarHBondContact NH1-OE2 3.38Å; R9-E57 IonicContact NH2-OE1 3.18Å; R9-E57 WeakPolarHBondContact O-CG 3.5Å; R9-E57 PolarHBondContact O-N 3.5Å; R9-T75 HydrophobicContact CB-CG2 3.84Å; R9-T75 HydrophobicContact CG-CG2 4.39Å; R9-L77 HydrophobicContact CG-CD2 3.92Å; R9-E129 IonicContact CZ-OE1 3.44Å; R9-E129 IonicContact CZ-OE2 2.77Å; R9-E129 IonicContact NE-OE1 3.15Å; R9-E129 PolarHBondContact NE-OE1 2.75Å; R9-E129 IonicContact NE-OE2 2.67Å; R9-E129 PolarHBondContact NE-OE2 3.04Å; R9-E129 VanDerWaalsContact NE-OE2 3.17Å; R9-E129 IonicContact NH2-OE1 2.75Å; R9-E129 IonicContact NH2-OE2 2.79Å; R9-E129 PolarHBondContact NH2-OE2 2.72Å
10L98.8Very high95.4Very high0 Ų032.7 Ų32.70%016%0.157CC..EExtended strand (participates in β ladder)trans-109143.9-167.1-55.3178.1000111.9H8 F41 I54 V55 D56 W76 A78 L126H8-L10 HydrophobicContact CB-CD2 3.67Å; H8-L10 HydrophobicContact CB-CG 4.19Å; L10-F41 HydrophobicContact CD1-CD1 3.94Å; L10-F41 HydrophobicContact CD1-CD2 4.25Å; L10-F41 HydrophobicContact CD1-CE1 3.78Å; L10-F41 HydrophobicContact CD1-CE2 4.1Å; L10-F41 HydrophobicContact CD1-CG 4.18Å; L10-F41 HydrophobicContact CD1-CZ 3.86Å; L10-F41 HydrophobicContact CD2-CB 3.61Å; L10-F41 HydrophobicContact CD2-CD1 3.61Å; L10-F41 HydrophobicContact CD2-CD2 4.16Å; L10-F41 HydrophobicContact CD2-CE1 4.32Å; L10-F41 HydrophobicContact CD2-CG 3.52Å; L10-F41 HydrophobicContact CG-CD1 4.45Å; L10-I54 HydrophobicContact CB-CG2 4.44Å; L10-I54 HydrophobicContact CD1-CG2 4.12Å; L10-V55 CarbonylContact C-O 3.58Å; L10-V55 WeakPolarHBondContact CA-O 3.45Å; L10-D56 HydrophobicContact CD2-CB 3.91Å; L10-W76 HydrophobicContact CB-CB 4.17Å; L10-W76 PolarHBondContact N-O 3.01Å; L10-W76 PolarHBondContact O-N 3.46Å; L10-A78 HydrophobicContact CD1-CB 3.95Å; L10-L126 HydrophobicContact CD1-CD1 4.39Å; L10-L126 HydrophobicContact CD1-CD2 3.79Å; L10-L126 HydrophobicContact CD1-CG 3.93Å
11Q98.5Very high95.4Very high28 Ų2835.1 Ų35.113%0.13118%0.176CC..EExtended strand (participates in β ladder)trans-107.4138.4166.8-61.3-59-35.200109.1I54 V55 F60 T75Q11-I54 WeakPolarHBondContact O-CA 3.37Å; Q11-V55 PolarHBondContact N-O 2.82Å; Q11-V55 PolarHBondContact O-N 3.34Å; Q11-F60 HydrophobicContact CB-CD2 3.73Å; Q11-F60 HydrophobicContact CB-CE2 4.11Å; Q11-F60 HydrophobicContact CB-CG 4.24Å; Q11-F60 HydrophobicContact CG-CB 4.36Å; Q11-F60 HydrophobicContact CG-CD1 4.4Å; Q11-F60 HydrophobicContact CG-CD2 3.96Å; Q11-F60 HydrophobicContact CG-CE2 4.38Å; Q11-F60 HydrophobicContact CG-CG 3.98Å; Q11-T75 PolarHBondContact NE2-OG1 3.31Å
12V98.6Very high96Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-109.3119.9171.6-177.20000107.8T52 I53 I54 A72 W76 F115 L126 F276 F302V12-T52 HydrophobicContact CG1-CG2 4.14Å; V12-I53 CarbonylContact C-O 3.53Å; V12-I53 WeakPolarHBondContact CA-O 3.18Å; V12-I54 HydrophobicContact CG2-CG1 4.37Å; V12-I54 HydrophobicContact CG2-CG2 4.48Å; V12-A72 HydrophobicContact CB-CB 4.24Å; V12-A72 WeakPolarHBondContact O-CB 3.33Å; V12-A72 PolarHBondContact O-N 3.18Å; V12-W76 HydrophobicContact CG2-CG 4.26Å; V12-F115 HydrophobicContact CG1-CE1 4.31Å; V12-F115 HydrophobicContact CG1-CE2 4.3Å; V12-F115 HydrophobicContact CG1-CZ 3.93Å; V12-L126 HydrophobicContact CG2-CD2 4.32Å; V12-F276 HydrophobicContact CG1-CE1 4.04Å; V12-F276 HydrophobicContact CG1-CZ 4.32Å; V12-F302 HydrophobicContact CG1-CD2 4.29Å
13A98.4Very high96.3Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-130.2159.9-176.400000112T52 I53 L69 S70 V71A13-T52 CarbonylContact O-C 3.56Å; A13-T52 WeakPolarHBondContact O-CA 3.22Å; A13-I53 PolarHBondContact N-O 2.79Å; A13-I53 PolarHBondContact O-N 3.48Å; A13-L69 HydrophobicContact CB-CD1 3.76Å; A13-L69 HydrophobicContact CB-CG 4.36Å; A13-S70 CarbonylContact C-O 3.52Å; A13-S70 WeakPolarHBondContact CA-O 3.37Å; A13-S70 WeakPolarHBondContact CB-O 3.47Å; A13-V71 HydrophobicContact CB-CG2 4.14Å
14S98.4Very high96.4Very high7 Ų732.8 Ų32.85%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-127.8137175.2169.70000111D50 Y51 S70S14-D50 WeakPolarHBondContact OG-CB 3.44Å; S14-D50 VanDerWaalsContact OG-CG 3.31Å; S14-D50 PolarHBondContact OG-OD2 2.93Å; S14-Y51 CarbonylContact C-O 3.4Å; S14-Y51 VanDerWaalsContact CA-O 3.24Å; S14-Y51 WeakPolarHBondContact CA-O 3.43Å; S14-S70 PolarHBondContact N-O 2.91Å; S14-S70 PolarHBondContact O-N 3.42Å
15V97.9Very high96.5Very high0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-120.9127.6175.7174.10000108.7I20 F23 D50 Y51 I53 L69V15-I20 HydrophobicContact CG1-CD1 4.17Å; V15-F23 HydrophobicContact CB-CD2 4.33Å; V15-F23 HydrophobicContact CB-CE2 4.35Å; V15-F23 HydrophobicContact CG1-CD2 3.38Å; V15-F23 HydrophobicContact CG1-CE2 3.5Å; V15-F23 VanDerWaalsContact CG1-CE2 3.5Å; V15-F23 HydrophobicContact CG1-CG 4.15Å; V15-F23 HydrophobicContact CG1-CZ 4.34Å; V15-F23 HydrophobicContact CG2-CD1 4.03Å; V15-F23 HydrophobicContact CG2-CD2 3.93Å; V15-F23 HydrophobicContact CG2-CE1 4.04Å; V15-F23 HydrophobicContact CG2-CE2 3.92Å; V15-F23 HydrophobicContact CG2-CG 3.99Å; V15-F23 HydrophobicContact CG2-CZ 3.97Å; V15-D50 WeakPolarHBondContact O-CB 3.22Å; V15-Y51 PolarHBondContact N-O 3.26Å; V15-Y51 PolarHBondContact O-N 2.83Å; V15-I53 HydrophobicContact CG2-CD1 3.83Å; V15-L69 HydrophobicContact CG2-CD1 3.52Å
16A94.6Very high96.5Very high29 Ų2940.1 Ų40.124%0.2420%0.197CC..  trans-60.3143.117400000111E18 S19 I20A16-E18 VanDerWaalsContact C-N 3.28Å; A16-E18 HydrophobicContact CB-CG 4.44Å; A16-E18 PolarHBondContact O-N 3.39Å; A16-S19 WeakPolarHBondContact O-CA 3.43Å; A16-S19 PolarHBondContact O-N 3.31Å; A16-I20 PolarHBondContact O-N 3.24Å
17K93.4Very high96.6Very high26 Ų2639.4 Ų39.411%0.11319%0.193CC..G310 helixtrans-60.5-39.3-171.3-65.5-163.166.8146.40112.7S19 I20 E46 T47 P48 Y51K17-S19 PolarHBondContact O-N 3.49Å; K17-I20 WeakPolarHBondContact O-CG2 3.42Å; K17-I20 PolarHBondContact O-N 3Å; K17-E46 WeakPolarHBondContact CE-OE1 3.2Å; K17-E46 IonicContact NZ-OE1 3.02Å; K17-E46 PolarHBondContact NZ-OE1 3.09Å; K17-T47 PolarHBondContact NZ-O 3.38Å; K17-P48 VanDerWaalsContact CD-O 3.29Å; K17-P48 WeakPolarHBondContact CD-O 3.34Å; K17-Y51 HydrophobicContact CB-CE2 4.31Å; K17-Y51 HydrophobicContact CG-CD2 4.41Å; K17-Y51 HydrophobicContact CG-CE2 4.22Å
18E93.5Very high96.7Very high151 Ų15138.3 Ų38.371%0.70619%0.189SC*.G310 helixtrans-66.7-24.517762.3-88.4-149.700113A16 P21A16-E18 VanDerWaalsContact C-N 3.28Å; A16-E18 HydrophobicContact CB-CG 4.44Å; A16-E18 PolarHBondContact O-N 3.39Å; E18-P21 WeakPolarHBondContact O-CD 3.45Å
19S95.7Very high96.8Very high8 Ų839.7 Ų39.76%0.05620%0.195CC..G310 helixtrans-94-5.9-177.3-58.70000112.9A16 K17 P21 L22 F23 H68A16-S19 WeakPolarHBondContact O-CA 3.43Å; A16-S19 PolarHBondContact O-N 3.31Å; K17-S19 PolarHBondContact O-N 3.49Å; S19-P21 WeakPolarHBondContact O-CD 3.36Å; S19-P21 VanDerWaalsContact O-N 3.11Å; S19-L22 VanDerWaalsContact O-CB 3.3Å; S19-L22 WeakPolarHBondContact O-CB 3.46Å; S19-L22 PolarHBondContact O-N 2.83Å; S19-F23 WeakPolarHBondContact O-CD2 3.46Å; S19-H68 WeakPolarHBondContact OG-CB 3.26Å; S19-H68 PolarHBondContact OG-ND1 3.38Å
20I95.3Very high96.7Very high4 Ų435.8 Ų35.82%0.02118%0.181CC..Hα-helixtrans-50.3-36.2179.2-160.460.8000114V15 A16 K17 L22 F23 T24 L27 Y51 F208V15-I20 HydrophobicContact CG1-CD1 4.17Å; A16-I20 PolarHBondContact O-N 3.24Å; K17-I20 WeakPolarHBondContact O-CG2 3.42Å; K17-I20 PolarHBondContact O-N 3Å; I20-L22 PolarHBondContact O-N 3.47Å; I20-L22 VanDerWaalsContact O-N 3.12Å; I20-F23 PolarHBondContact O-N 3Å; I20-T24 WeakPolarHBondContact O-CG2 3.31Å; I20-T24 PolarHBondContact O-N 3.31Å; I20-L27 HydrophobicContact CD1-CD1 3.5Å; I20-L27 VanDerWaalsContact CD1-CD1 3.5Å; I20-L27 HydrophobicContact CG1-CD1 4.46Å; I20-Y51 HydrophobicContact CB-CD2 4.03Å; I20-Y51 HydrophobicContact CB-CE2 3.65Å; I20-Y51 HydrophobicContact CD1-CD1 4.08Å; I20-Y51 HydrophobicContact CD1-CD2 3.69Å; I20-Y51 HydrophobicContact CD1-CE1 4.32Å; I20-Y51 HydrophobicContact CD1-CE2 3.97Å; I20-Y51 HydrophobicContact CD1-CG 3.75Å; I20-Y51 HydrophobicContact CG1-CD2 3.96Å; I20-Y51 HydrophobicContact CG1-CE1 4.27Å; I20-Y51 HydrophobicContact CG1-CE2 3.69Å; I20-Y51 HydrophobicContact CG1-CG 4.36Å; I20-Y51 HydrophobicContact CG2-CE2 4.02Å; I20-F208 HydrophobicContact CG1-CD1 3.95Å
21P95.5Very high96.6Very high84 Ų8435.8 Ų35.855%0.54518%0.181SC..Hα-helixtrans-56.7-32.5178.1-2638.3000113.3E18 S19 F23 T24E18-P21 WeakPolarHBondContact O-CD 3.45Å; S19-P21 WeakPolarHBondContact O-CD 3.36Å; S19-P21 VanDerWaalsContact O-N 3.11Å; P21-F23 PolarHBondContact O-N 3.04Å; P21-T24 PolarHBondContact O-N 3.02Å; P21-T24 PolarHBondContact O-OG1 3.49Å
22L96.5Very high96.5Very high100 Ų10036 Ų3652%0.52418%0.181SC..Hα-helixtrans-65.4-26178.8-58.2176.4000112.7S19 I20 P64S19-L22 VanDerWaalsContact O-CB 3.3Å; S19-L22 WeakPolarHBondContact O-CB 3.46Å; S19-L22 PolarHBondContact O-N 2.83Å; I20-L22 PolarHBondContact O-N 3.47Å; I20-L22 VanDerWaalsContact O-N 3.12Å; L22-P64 WeakPolarHBondContact O-CG 3.11Å
23F97.6Very high96.3Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-102.6-9.7-175.3-61.1-93000113V15 S19 I20 P21 Y25 G26 L27 P64 H68 L69V15-F23 HydrophobicContact CB-CD2 4.33Å; V15-F23 HydrophobicContact CB-CE2 4.35Å; V15-F23 HydrophobicContact CG1-CD2 3.38Å; V15-F23 HydrophobicContact CG1-CE2 3.5Å; V15-F23 VanDerWaalsContact CG1-CE2 3.5Å; V15-F23 HydrophobicContact CG1-CG 4.15Å; V15-F23 HydrophobicContact CG1-CZ 4.34Å; V15-F23 HydrophobicContact CG2-CD1 4.03Å; V15-F23 HydrophobicContact CG2-CD2 3.93Å; V15-F23 HydrophobicContact CG2-CE1 4.04Å; V15-F23 HydrophobicContact CG2-CE2 3.92Å; V15-F23 HydrophobicContact CG2-CG 3.99Å; V15-F23 HydrophobicContact CG2-CZ 3.97Å; S19-F23 WeakPolarHBondContact O-CD2 3.46Å; I20-F23 PolarHBondContact O-N 3Å; P21-F23 PolarHBondContact O-N 3.04Å; F23-Y25 VanDerWaalsContact C-N 3.31Å; F23-Y25 PolarHBondContact O-N 3.45Å; F23-G26 PolarHBondContact O-N 3.03Å; F23-G26 VanDerWaalsContact O-N 3.14Å; F23-L27 HydrophobicContact CB-CD1 3.9Å; F23-L27 HydrophobicContact CB-CG 4.24Å; F23-L27 WeakPolarHBondContact O-CG 3.35Å; F23-L27 PolarHBondContact O-N 2.86Å; F23-P64 HydrophobicContact CD1-CG 3.78Å; F23-P64 HydrophobicContact CE1-CG 3.95Å; F23-P64 HydrophobicContact CG-CG 4.38Å; F23-H68 HydrophobicContact CE2-CB 4.18Å; F23-H68 HydrophobicContact CZ-CB 4.36Å; F23-L69 HydrophobicContact CD1-CD1 4.45Å; F23-L69 HydrophobicContact CE1-CB 3.82Å; F23-L69 HydrophobicContact CE1-CD1 3.83Å; F23-L69 HydrophobicContact CE1-CD2 4.25Å; F23-L69 HydrophobicContact CE1-CG 4.18Å; F23-L69 HydrophobicContact CZ-CB 3.8Å; F23-L69 HydrophobicContact CZ-CD1 4.32Å
24T96.2Very high95.8Very high36 Ų3644.2 Ų44.222%0.22123%0.232CC..Hα-helixtrans-54.2-40.1-17451.60000114I20 P21 G26 L27 I28 F208I20-T24 WeakPolarHBondContact O-CG2 3.31Å; I20-T24 PolarHBondContact O-N 3.31Å; P21-T24 PolarHBondContact O-N 3.02Å; P21-T24 PolarHBondContact O-OG1 3.49Å; T24-G26 PolarHBondContact O-N 3.09Å; T24-L27 PolarHBondContact O-N 3.02Å; T24-I28 VanDerWaalsContact O-CB 3.28Å; T24-I28 WeakPolarHBondContact O-CB 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.35Å; T24-I28 PolarHBondContact O-N 3.14Å; T24-F208 HydrophobicContact CG2-CB 4.4Å; T24-F208 HydrophobicContact CG2-CD1 4.29Å; T24-F208 HydrophobicContact CG2-CG 4.17Å
25Y96.3Very high95.4Very high181 Ų18148.8 Ų48.871%0.7126%0.264SS*.Hα-helixtrans-59.2-49.8178.7179.4-93.6000112F23 K29F23-Y25 VanDerWaalsContact C-N 3.31Å; F23-Y25 PolarHBondContact O-N 3.45Å; Y25-K29 PolarHBondContact O-N 2.89Å; Y25-K29 VanDerWaalsContact O-N 3.11Å
26G97.4Very high95.3Very high2 Ų255.3 Ų55.32%0.02129%0.292CS..Hα-helixtrans-63.5-47176.900000111.7F23 T24 I28 K29 L30 E62F23-G26 PolarHBondContact O-N 3.03Å; F23-G26 VanDerWaalsContact O-N 3.14Å; T24-G26 PolarHBondContact O-N 3.09Å; G26-I28 PolarHBondContact O-N 2.87Å; G26-K29 WeakPolarHBondContact O-CB 3.29Å; G26-K29 PolarHBondContact O-N 3.01Å; G26-K29 VanDerWaalsContact O-N 3.12Å; G26-L30 VanDerWaalsContact O-CG 3.32Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.14Å; G26-E62 WeakPolarHBondContact CA-O 3.37Å
27L97.9Very high95.3Very high0 Ų054.7 Ų54.70%029%0.286CS..Hα-helixtrans-63.6-37.9179.9-64.7174.9000112.8I20 F23 T24 K29 L30 A31 F42 L44 I53 L63 F208I20-L27 HydrophobicContact CD1-CD1 3.5Å; I20-L27 VanDerWaalsContact CD1-CD1 3.5Å; I20-L27 HydrophobicContact CG1-CD1 4.46Å; F23-L27 HydrophobicContact CB-CD1 3.9Å; F23-L27 HydrophobicContact CB-CG 4.24Å; F23-L27 WeakPolarHBondContact O-CG 3.35Å; F23-L27 PolarHBondContact O-N 2.86Å; T24-L27 PolarHBondContact O-N 3.02Å; L27-K29 VanDerWaalsContact C-N 3.33Å; L27-L30 HydrophobicContact CD2-CD1 4.41Å; L27-L30 PolarHBondContact O-N 2.78Å; L27-A31 VanDerWaalsContact O-CB 3.28Å; L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 3.5Å; L27-F42 HydrophobicContact CD2-CE2 3.89Å; L27-F42 HydrophobicContact CD2-CZ 3.96Å; L27-L44 HydrophobicContact CD1-CD1 4.42Å; L27-L44 HydrophobicContact CD2-CD1 4.32Å; L27-I53 HydrophobicContact CD2-CD1 3.87Å; L27-I53 HydrophobicContact CD2-CG1 4.24Å; L27-L63 HydrophobicContact CD2-CD2 3.97Å; L27-L63 HydrophobicContact CG-CD2 4.43Å; L27-F208 HydrophobicContact CB-CE1 3.93Å; L27-F208 HydrophobicContact CB-CZ 3.77Å; L27-F208 HydrophobicContact CD1-CE1 3.75Å; L27-F208 HydrophobicContact CD1-CZ 4.46Å; L27-F208 HydrophobicContact CG-CE1 4.5Å
28I97Very high95.4Very high52 Ų5261.6 Ų61.627%0.26731%0.311SS..Hα-helixtrans-64.5-41.6174.2-74.8167.9000110.4T24 G26 A31 F32 M204 F208T24-I28 VanDerWaalsContact O-CB 3.28Å; T24-I28 WeakPolarHBondContact O-CB 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.35Å; T24-I28 PolarHBondContact O-N 3.14Å; G26-I28 PolarHBondContact O-N 2.87Å; I28-A31 PolarHBondContact O-N 2.98Å; I28-F32 HydrophobicContact CB-CD2 4.34Å; I28-F32 HydrophobicContact CG1-CD2 4.42Å; I28-F32 HydrophobicContact CG2-CD2 4.14Å; I28-F32 WeakPolarHBondContact O-CB 3.5Å; I28-F32 WeakPolarHBondContact O-CD2 3.49Å; I28-F32 PolarHBondContact O-N 2.96Å; I28-M204 HydrophobicContact CG1-CE 4.34Å; I28-M204 HydrophobicContact CG2-CE 4.09Å; I28-F208 HydrophobicContact CG1-CE2 3.94Å
29K96.4Very high95.6Very high40 Ų4055.3 Ų55.317%0.17428%0.284CS..Hα-helixtrans-62.8-43.8178-169.8177.4172.6-164.30111.5Y25 G26 L27 L33 K36 E62Y25-K29 PolarHBondContact O-N 2.89Å; Y25-K29 VanDerWaalsContact O-N 3.11Å; G26-K29 WeakPolarHBondContact O-CB 3.29Å; G26-K29 PolarHBondContact O-N 3.01Å; G26-K29 VanDerWaalsContact O-N 3.12Å; L27-K29 VanDerWaalsContact C-N 3.33Å; K29-L33 HydrophobicContact CG-CB 4.39Å; K29-L33 CarbonylContact O-C 3.54Å; K29-L33 WeakPolarHBondContact O-CA 3.28Å; K29-L33 WeakPolarHBondContact O-CB 3.45Å; K29-L33 PolarHBondContact O-N 3.44Å; K29-L33 VanDerWaalsContact O-N 3.13Å; K29-K36 HydrophobicContact CD-CB 4.43Å; K29-K36 VanDerWaalsContact CE-C 3.49Å; K29-K36 WeakPolarHBondContact CE-O 3.49Å; K29-K36 HydrophobicContact CG-CB 4.07Å; K29-K36 PolarHBondContact NZ-O 3.01Å; K29-E62 HydrophobicContact CD-CG 4.47Å; K29-E62 VanDerWaalsContact CD-OE2 3.26Å; K29-E62 WeakPolarHBondContact CD-OE2 3.32Å; K29-E62 WeakPolarHBondContact CE-OE1 3.35Å; K29-E62 WeakPolarHBondContact CE-OE2 3.48Å; K29-E62 IonicContact NZ-OE1 3.56Å; K29-E62 PolarHBondContact NZ-OE1 3.17Å; K29-E62 IonicContact NZ-OE2 3.83Å; K29-E62 PolarHBondContact NZ-OE2 3.4Å
30L97.5Very high95.6Very high4 Ų460.7 Ų60.72%0.02131%0.306CS..Hα-helixtrans-64.7-46.8176.8-67170000112.5G26 L27 T37 C39 F42 V55 G59 E62 L63G26-L30 VanDerWaalsContact O-CG 3.32Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.14Å; L27-L30 HydrophobicContact CD2-CD1 4.41Å; L27-L30 PolarHBondContact O-N 2.78Å; L30-T37 HydrophobicContact CD2-CG2 4.46Å; L30-C39 HydrophobicContact CD2-CB 3.69Å; L30-F42 HydrophobicContact CB-CD1 4.06Å; L30-F42 HydrophobicContact CB-CD2 4.08Å; L30-F42 HydrophobicContact CB-CE1 4.15Å; L30-F42 HydrophobicContact CB-CE2 4.16Å; L30-F42 HydrophobicContact CB-CG 4.03Å; L30-F42 HydrophobicContact CB-CZ 4.19Å; L30-F42 HydrophobicContact CD1-CD2 3.88Å; L30-F42 HydrophobicContact CD1-CE2 3.85Å; L30-V55 HydrophobicContact CD1-CG2 4.32Å; L30-V55 HydrophobicContact CD2-CG2 4.34Å; L30-G59 VanDerWaalsContact CD2-CA 3.45Å; L30-E62 HydrophobicContact CD1-CB 4.37Å; L30-E62 HydrophobicContact CD2-CB 4.11Å; L30-E62 HydrophobicContact CD2-CG 3.84Å; L30-E62 HydrophobicContact CG-CB 4.12Å; L30-E62 HydrophobicContact CG-CG 4.32Å; L30-L63 HydrophobicContact CD1-CD2 4.12Å
31A96.5Very high95.8Very high0 Ų060.5 Ų60.50%031%0.305CS..Hα-helixtrans-78-37.7-173.900000113.6L27 I28 F42 L196 M207 F231L27-A31 VanDerWaalsContact O-CB 3.28Å; L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 3.5Å; I28-A31 PolarHBondContact O-N 2.98Å; A31-F42 HydrophobicContact CB-CE1 3.92Å; A31-L196 VanDerWaalsContact O-CD2 3.28Å; A31-L196 WeakPolarHBondContact O-CD2 3.36Å; A31-M207 HydrophobicContact CB-CE 4.17Å; A31-F231 HydrophobicContact CB-CE1 3.95Å; A31-F231 HydrophobicContact CB-CZ 4.23Å
32F95.5Very high95.9Very high32 Ų3256.6 Ų56.614%0.1428%0.28CS..Hα-helixtrans-121.1-14.3-165.8-54.9-77.9000114.7I28 L196 A200 L203 M204 M207I28-F32 HydrophobicContact CB-CD2 4.34Å; I28-F32 HydrophobicContact CG1-CD2 4.42Å; I28-F32 HydrophobicContact CG2-CD2 4.14Å; I28-F32 WeakPolarHBondContact O-CB 3.5Å; I28-F32 WeakPolarHBondContact O-CD2 3.49Å; I28-F32 PolarHBondContact O-N 2.96Å; F32-L196 HydrophobicContact CD1-CD1 4.05Å; F32-L196 HydrophobicContact CD1-CD2 4.04Å; F32-L196 HydrophobicContact CD1-CG 3.98Å; F32-L196 HydrophobicContact CE1-CD1 3.95Å; F32-L196 HydrophobicContact CE1-CG 4.39Å; F32-A200 HydrophobicContact CD1-CB 3.88Å; F32-A200 HydrophobicContact CE1-CB 3.96Å; F32-L203 HydrophobicContact CE1-CB 4.05Å; F32-L203 HydrophobicContact CE1-CD2 3.62Å; F32-L203 HydrophobicContact CE1-CG 4.2Å; F32-L203 HydrophobicContact CZ-CB 4.01Å; F32-L203 HydrophobicContact CZ-CD2 3.82Å; F32-L203 HydrophobicContact CZ-CG 4.02Å; F32-M204 HydrophobicContact CB-CE 4.46Å; F32-M204 HydrophobicContact CD1-CE 4.29Å; F32-M204 HydrophobicContact CD2-CE 3.48Å; F32-M204 VanDerWaalsContact CD2-CE 3.48Å; F32-M204 HydrophobicContact CD2-CG 4.35Å; F32-M204 HydrophobicContact CE1-CE 4.43Å; F32-M204 HydrophobicContact CE2-CE 3.68Å; F32-M204 HydrophobicContact CE2-CG 3.56Å; F32-M204 HydrophobicContact CG-CE 3.83Å; F32-M204 HydrophobicContact CZ-CE 4.16Å; F32-M204 HydrophobicContact CZ-CG 3.69Å; F32-M207 HydrophobicContact CE2-SD 4.35Å; F32-M207 HydrophobicContact CZ-SD 4.03Å
33L93.9Very high96Very high78 Ų7851.9 Ų51.941%0.40826%0.255SS..  trans-121.858.6-172.5-53.4177.2000111.1K29 S35 K36K29-L33 HydrophobicContact CG-CB 4.39Å; K29-L33 CarbonylContact O-C 3.54Å; K29-L33 WeakPolarHBondContact O-CA 3.28Å; K29-L33 WeakPolarHBondContact O-CB 3.45Å; K29-L33 PolarHBondContact O-N 3.44Å; K29-L33 VanDerWaalsContact O-N 3.13Å; L33-S35 PolarHBondContact O-N 2.89Å; L33-K36 HydrophobicContact CB-CB 4.01Å; L33-K36 HydrophobicContact CB-CG 3.93Å; L33-K36 WeakPolarHBondContact O-CA 3.42Å; L33-K36 WeakPolarHBondContact O-CB 3.46Å; L33-K36 PolarHBondContact O-N 3.29Å
34S88Confident96.1Very high95 Ų9551.9 Ų51.966%0.66426%0.255SS*.THydrogen-bonded Turntrans-53.6-26.7179.560.90000114.2K36S34-K36 PolarHBondContact O-N 2.93Å
35S91.1Very high96.2Very high102 Ų10250.2 Ų50.271%0.71325%0.245SC*.THydrogen-bonded Turntrans-75.7-7.6174.663.60000114.7L33L33-S35 PolarHBondContact O-N 2.89Å
36K94.5Very high96.3Very high137 Ų13741.7 Ų41.760%0.59621%0.211SC*.THydrogen-bonded Turntrans-111.1-9.2-175.1-59-59.6-177.8-174.50113.5K29 L33 S34K29-K36 HydrophobicContact CD-CB 4.43Å; K29-K36 VanDerWaalsContact CE-C 3.49Å; K29-K36 WeakPolarHBondContact CE-O 3.49Å; K29-K36 HydrophobicContact CG-CB 4.07Å; K29-K36 PolarHBondContact NZ-O 3.01Å; L33-K36 HydrophobicContact CB-CB 4.01Å; L33-K36 HydrophobicContact CB-CG 3.93Å; L33-K36 WeakPolarHBondContact O-CA 3.42Å; L33-K36 WeakPolarHBondContact O-CB 3.46Å; L33-K36 PolarHBondContact O-N 3.29Å; S34-K36 PolarHBondContact O-N 2.93Å
37T95.2Very high96.2Very high16 Ų1641.6 Ų41.610%0.09821%0.21CC..  trans-130.5155.1176.9-177.20000109.8L30 C39 E62L30-T37 HydrophobicContact CD2-CG2 4.46Å; T37-C39 HydrophobicContact CG2-CB 3.92Å; T37-C39 WeakPolarHBondContact OG1-CB 3.35Å; T37-C39 PolarHBondContact OG1-N 3.38Å; T37-E62 WeakPolarHBondContact CB-OE1 3.39Å; T37-E62 PolarHBondContact OG1-OE1 3.09Å
38R95.9Very high96Very high171 Ų17144 Ų4465%0.64523%0.226SC*.  trans-91.9-3171.5-66-170.6-64.8-176.50.6112.8K40 E58R38-K40 PolarHBondContact O-N 3.28Å; R38-E58 HydrophobicContact CB-CB 4.08Å; R38-E58 HydrophobicContact CB-CG 4.03Å; R38-E58 IonicContact CZ-OE1 3.86Å; R38-E58 IonicContact CZ-OE2 3.86Å; R38-E58 IonicContact NE-OE1 3.23Å; R38-E58 IonicContact NE-OE2 2.8Å; R38-E58 PolarHBondContact NE-OE2 2.64Å; R38-E58 IonicContact NH2-OE1 3.43Å; R38-E58 PolarHBondContact NH2-OE1 3.34Å; R38-E58 IonicContact NH2-OE2 3.17Å; R38-E58 PolarHBondContact NH2-OE2 2.93Å
39C97.7Very high95.9Very high20 Ų2044.4 Ų44.414%0.13523%0.226CC..  trans-50.7131.3176.8-172.70000111.5L30 T37 F41 D56L30-C39 HydrophobicContact CD2-CB 3.69Å; T37-C39 HydrophobicContact CG2-CB 3.92Å; T37-C39 WeakPolarHBondContact OG1-CB 3.35Å; T37-C39 PolarHBondContact OG1-N 3.38Å; C39-F41 PolarHBondContact SG-O 3.31Å; C39-F41 VanDerWaalsContact SG-O 3.34Å; C39-D56 WeakPolarHBondContact CA-OD2 3.46Å
40K96.6Very high95.9Very high121 Ų12142.5 Ų42.553%0.52622%0.218SC..  trans-117.9-18.5175.7-62.1-55.6-179.5-176.60112.7R38 D56 I234 E235R38-K40 PolarHBondContact O-N 3.28Å; K40-D56 WeakPolarHBondContact CA-OD2 3.27Å; K40-D56 PolarHBondContact N-OD2 3.19Å; K40-I234 CarbonylContact O-C 3.54Å; K40-I234 WeakPolarHBondContact O-CA 3.34Å; K40-E235 PolarHBondContact O-N 2.88Å
41F98.2Very high96Very high0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-127.8109.9177.2-160.5-67.4000109.5H8 L10 C39 I54 V55 D56 A78 L117 F124 I234H8-F41 HydrophobicContact CB-CB 4.17Å; H8-F41 HydrophobicContact CB-CD2 4.31Å; H8-F41 AromaticContact CD2-CD2 3.81Å; L10-F41 HydrophobicContact CD1-CD1 3.94Å; L10-F41 HydrophobicContact CD1-CD2 4.25Å; L10-F41 HydrophobicContact CD1-CE1 3.78Å; L10-F41 HydrophobicContact CD1-CE2 4.1Å; L10-F41 HydrophobicContact CD1-CG 4.18Å; L10-F41 HydrophobicContact CD1-CZ 3.86Å; L10-F41 HydrophobicContact CD2-CB 3.61Å; L10-F41 HydrophobicContact CD2-CD1 3.61Å; L10-F41 HydrophobicContact CD2-CD2 4.16Å; L10-F41 HydrophobicContact CD2-CE1 4.32Å; L10-F41 HydrophobicContact CD2-CG 3.52Å; L10-F41 HydrophobicContact CG-CD1 4.45Å; C39-F41 PolarHBondContact SG-O 3.31Å; C39-F41 VanDerWaalsContact SG-O 3.34Å; F41-I54 HydrophobicContact CD1-CG2 4.22Å; F41-I54 HydrophobicContact CE1-CG2 3.77Å; F41-V55 CarbonylContact O-C 3.55Å; F41-V55 VanDerWaalsContact O-CA 3.26Å; F41-V55 WeakPolarHBondContact O-CA 3.26Å; F41-D56 HydrophobicContact CB-CB 4.23Å; F41-D56 PolarHBondContact N-OD2 2.89Å; F41-D56 PolarHBondContact O-N 3.03Å; F41-A78 HydrophobicContact CE2-CB 4Å; F41-L117 HydrophobicContact CE1-CD2 3.86Å; F41-L117 HydrophobicContact CZ-CD2 3.93Å; F41-F124 AromaticContact CE2-CD1 3.91Å; F41-F124 HydrophobicContact CE2-CD1 3.91Å; F41-F124 HydrophobicContact CE2-CD2 4.32Å; F41-F124 HydrophobicContact CE2-CE1 4.02Å; F41-F124 HydrophobicContact CE2-CE2 4.44Å; F41-F124 HydrophobicContact CE2-CG 4.06Å; F41-F124 HydrophobicContact CE2-CZ 4.29Å; F41-F124 HydrophobicContact CZ-CB 4.39Å; F41-F124 HydrophobicContact CZ-CD1 4.35Å; F41-F124 HydrophobicContact CZ-CD2 4.14Å; F41-F124 HydrophobicContact CZ-CG 4.03Å; F41-I234 HydrophobicContact CD1-CD1 4.13Å; F41-I234 HydrophobicContact CD1-CG1 4.04Å; F41-I234 HydrophobicContact CD2-CB 4.44Å; F41-I234 HydrophobicContact CD2-CD1 4.26Å; F41-I234 HydrophobicContact CD2-CG1 4.13Å; F41-I234 HydrophobicContact CD2-CG2 3.47Å; F41-I234 VanDerWaalsContact CD2-CG2 3.47Å; F41-I234 HydrophobicContact CE1-CD1 3.66Å; F41-I234 HydrophobicContact CE1-CG1 4.1Å; F41-I234 HydrophobicContact CE2-CD1 3.81Å; F41-I234 HydrophobicContact CE2-CG1 4.2Å; F41-I234 HydrophobicContact CE2-CG2 3.75Å; F41-I234 HydrophobicContact CG-CD1 4.41Å; F41-I234 HydrophobicContact CG-CG1 4.05Å; F41-I234 HydrophobicContact CG-CG2 4.08Å; F41-I234 HydrophobicContact CZ-CD1 3.49Å; F41-I234 VanDerWaalsContact CZ-CD1 3.49Å; F41-I234 HydrophobicContact CZ-CG1 4.19Å
42F98.5Very high96.1Very high2 Ų242.3 Ų42.31%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-138132.8175.6170.7-116.3000110.7L27 L30 A31 L44 I53 I54 V55 F231 S232 L233L27-F42 HydrophobicContact CD2-CE2 3.89Å; L27-F42 HydrophobicContact CD2-CZ 3.96Å; L30-F42 HydrophobicContact CB-CD1 4.06Å; L30-F42 HydrophobicContact CB-CD2 4.08Å; L30-F42 HydrophobicContact CB-CE1 4.15Å; L30-F42 HydrophobicContact CB-CE2 4.16Å; L30-F42 HydrophobicContact CB-CG 4.03Å; L30-F42 HydrophobicContact CB-CZ 4.19Å; L30-F42 HydrophobicContact CD1-CD2 3.88Å; L30-F42 HydrophobicContact CD1-CE2 3.85Å; A31-F42 HydrophobicContact CB-CE1 3.92Å; F42-L44 HydrophobicContact CE1-CB 4.48Å; F42-L44 HydrophobicContact CE2-CB 4.32Å; F42-L44 HydrophobicContact CZ-CB 3.82Å; F42-I53 HydrophobicContact CD2-CG2 4.42Å; F42-I53 HydrophobicContact CE2-CG2 4.13Å; F42-I54 CarbonylContact C-O 3.59Å; F42-I54 WeakPolarHBondContact CA-O 3.48Å; F42-V55 HydrophobicContact CD2-CB 4.44Å; F42-V55 HydrophobicContact CD2-CG2 4.26Å; F42-F231 HydrophobicContact CD1-CD1 4.13Å; F42-F231 AromaticContact CD1-CE1 3.82Å; F42-F231 HydrophobicContact CD1-CE1 3.82Å; F42-F231 AromaticContact CE1-CD1 3.73Å; F42-F231 HydrophobicContact CE1-CD1 3.73Å; F42-F231 AromaticContact CE1-CE1 3.69Å; F42-F231 HydrophobicContact CE1-CE1 3.69Å; F42-S232 CarbonylContact O-C 3.51Å; F42-S232 WeakPolarHBondContact O-CA 3.47Å; F42-L233 HydrophobicContact CD1-CB 4.48Å; F42-L233 PolarHBondContact N-O 3.35Å; F42-L233 CarbonylContact O-C 3.57Å; F42-L233 PolarHBondContact O-N 3.16Å
43S98.7Very high96.2Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-139.4139.8169.4-167.40000110.1I53 I54 F231 S232S43-I53 CarbonylContact O-C 3.57Å; S43-I53 WeakPolarHBondContact O-CA 3.49Å; S43-I54 PolarHBondContact N-O 3.38Å; S43-I54 PolarHBondContact O-N 3.38Å; S43-F231 CarbonylContact C-O 3.54Å; S43-F231 VanDerWaalsContact CA-O 3.29Å; S43-F231 WeakPolarHBondContact CA-O 3.34Å; S43-F231 PolarHBondContact OG-O 2.85Å; S43-S232 PolarHBondContact OG-OG 3.3Å
44L98.6Very high96.5Very high1 Ų137.1 Ų37.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-128.2119.7173.6-178.775.8000108.5L27 F42 Y51 T52 I53 M207 F208 S230 F231L27-L44 HydrophobicContact CD1-CD1 4.42Å; L27-L44 HydrophobicContact CD2-CD1 4.32Å; F42-L44 HydrophobicContact CE1-CB 4.48Å; F42-L44 HydrophobicContact CE2-CB 4.32Å; F42-L44 HydrophobicContact CZ-CB 3.82Å; L44-Y51 HydrophobicContact CD1-CD1 4.01Å; L44-Y51 HydrophobicContact CD1-CG 4.45Å; L44-Y51 HydrophobicContact CD2-CD1 4.25Å; L44-Y51 HydrophobicContact CG-CD1 4.21Å; L44-T52 CarbonylContact C-O 3.55Å; L44-T52 WeakPolarHBondContact CA-O 3.5Å; L44-I53 HydrophobicContact CD1-CD1 4.41Å; L44-I53 HydrophobicContact CD1-CG1 3.57Å; L44-M207 HydrophobicContact CB-CE 4.39Å; L44-M207 HydrophobicContact CD2-CB 4.46Å; L44-M207 HydrophobicContact CD2-CE 3.38Å; L44-M207 HydrophobicContact CD2-CG 4.49Å; L44-F208 HydrophobicContact CD2-CE1 4.05Å; L44-S230 WeakPolarHBondContact O-CA 3.42Å; L44-F231 PolarHBondContact N-O 2.91Å; L44-F231 PolarHBondContact O-N 2.84Å
45T98.5Very high97Very high1 Ų132.6 Ų32.61%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-118.7116175.4-51.40000109.8Y51 T52 F228 F229 S230 I299 T301T45-Y51 CarbonylContact O-C 3.5Å; T45-Y51 WeakPolarHBondContact O-CA 3.36Å; T45-T52 PolarHBondContact N-O 2.85Å; T45-T52 PolarHBondContact O-N 3.44Å; T45-F228 HydrophobicContact CG2-CE1 4.4Å; T45-F228 HydrophobicContact CG2-CE2 3.88Å; T45-F228 HydrophobicContact CG2-CZ 3.77Å; T45-F229 CarbonylContact C-O 3.59Å; T45-F229 WeakPolarHBondContact CA-O 3.49Å; T45-S230 PolarHBondContact OG1-OG 2.86Å; T45-I299 HydrophobicContact CG2-CG2 4.12Å; T45-T301 HydrophobicContact CG2-CG2 3.83Å
46E98Very high97.3Very high1 Ų128.2 Ų28.21%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-85.9130.5170.8-172.6-172.3176.500110K17 Y51 S210 R227 F228 F229K17-E46 WeakPolarHBondContact CE-OE1 3.2Å; K17-E46 IonicContact NZ-OE1 3.02Å; K17-E46 PolarHBondContact NZ-OE1 3.09Å; E46-Y51 HydrophobicContact CB-CD1 3.78Å; E46-Y51 HydrophobicContact CB-CE1 3.57Å; E46-Y51 HydrophobicContact CG-CD1 3.97Å; E46-Y51 HydrophobicContact CG-CE1 3.48Å; E46-Y51 VanDerWaalsContact CG-CE1 3.48Å; E46-Y51 HydrophobicContact CG-CE2 4.42Å; E46-Y51 PolarHBondContact OE1-OH 3.15Å; E46-S210 PolarHBondContact OE1-OG 3.45Å; E46-S210 PolarHBondContact OE2-OG 3.18Å; E46-R227 HydrophobicContact CG-CG 4.23Å; E46-R227 WeakPolarHBondContact OE1-CG 3.41Å; E46-R227 IonicContact OE1-NE 2.64Å; E46-R227 IonicContact OE2-CZ 3.98Å; E46-R227 VanDerWaalsContact OE2-CZ 3.22Å; E46-R227 IonicContact OE2-NE 3.79Å; E46-R227 PolarHBondContact OE2-NE 2.88Å; E46-R227 IonicContact OE2-NH2 2.76Å; E46-R227 PolarHBondContact OE2-NH2 2.84Å; E46-F228 WeakPolarHBondContact O-CA 3.28Å; E46-F229 HydrophobicContact CB-CB 4.36Å; E46-F229 PolarHBondContact N-O 2.77Å; E46-F229 PolarHBondContact O-N 2.78Å; E46-F229 VanDerWaalsContact O-N 3.09Å
47T96.3Very high97.5Very high0 Ų025.7 Ų25.70%012%0.119CC..  trans-119.3178.6170.670.40000110.1K17 E49 D50 R227 F228 T301K17-T47 PolarHBondContact NZ-O 3.38Å; T47-E49 PolarHBondContact O-N 3.18Å; T47-E49 PolarHBondContact OG1-N 3.39Å; T47-E49 VanDerWaalsContact OG1-N 3.15Å; T47-E49 PolarHBondContact OG1-OE2 2.59Å; T47-D50 PolarHBondContact N-O 2.82Å; T47-D50 PolarHBondContact OG1-N 2.87Å; T47-D50 VanDerWaalsContact OG1-N 3.09Å; T47-D50 PolarHBondContact OG1-O 3.35Å; T47-D50 VanDerWaalsContact OG1-O 3.13Å; T47-D50 PolarHBondContact OG1-OD1 2.83Å; T47-D50 VanDerWaalsContact OG1-OD1 3.07Å; T47-R227 CarbonylContact C-O 3.57Å; T47-F228 HydrophobicContact CG2-CD2 4.42Å; T47-T301 HydrophobicContact CG2-CG2 3.77Å
48P94.1Very high97.6Very high50 Ų5028 Ų2833%0.32513%0.128SC..SBendtrans-62.1-26.2168.2-22.436000112.7K17 I226 R227K17-P48 VanDerWaalsContact CD-O 3.29Å; K17-P48 WeakPolarHBondContact CD-O 3.34Å; P48-I226 HydrophobicContact CG-CB 4Å; P48-R227 WeakPolarHBondContact CD-O 3.46Å
49E94.8Very high97.7Very high61 Ų6119.9 Ų19.929%0.28510%0.098SC..SBendtrans-97.7-28.9-170.8-62.779.7-161.500115T47 R268 K303 F304T47-E49 PolarHBondContact O-N 3.18Å; T47-E49 PolarHBondContact OG1-N 3.39Å; T47-E49 VanDerWaalsContact OG1-N 3.15Å; T47-E49 PolarHBondContact OG1-OE2 2.59Å; E49-R268 IonicContact OE1-CZ 2.74Å; E49-R268 VanDerWaalsContact OE1-CZ 3.28Å; E49-R268 IonicContact OE1-NH1 3.29Å; E49-R268 PolarHBondContact OE1-NH1 3.23Å; E49-R268 IonicContact OE1-NH2 2.75Å; E49-R268 PolarHBondContact OE1-NH2 2.79Å; E49-R268 IonicContact OE2-CZ 2.76Å; E49-R268 IonicContact OE2-NH1 3.22Å; E49-R268 IonicContact OE2-NH2 2.79Å; E49-R268 PolarHBondContact OE2-NH2 2.67Å; E49-K303 HydrophobicContact CB-CD 3.8Å; E49-K303 PolarHBondContact O-NZ 2.8Å; E49-K303 VanDerWaalsContact O-NZ 3.14Å; E49-F304 HydrophobicContact CG-CE2 3.95Å
50D96.6Very high97.7Very high0 Ų021.7 Ų21.70%010%0.104CC..  trans-169.7179.8-176.860.59.2000113S14 V15 T47 K303S14-D50 WeakPolarHBondContact OG-CB 3.44Å; S14-D50 VanDerWaalsContact OG-CG 3.31Å; S14-D50 PolarHBondContact OG-OD2 2.93Å; V15-D50 WeakPolarHBondContact O-CB 3.22Å; T47-D50 PolarHBondContact N-O 2.82Å; T47-D50 PolarHBondContact OG1-N 2.87Å; T47-D50 VanDerWaalsContact OG1-N 3.09Å; T47-D50 PolarHBondContact OG1-O 3.35Å; T47-D50 VanDerWaalsContact OG1-O 3.13Å; T47-D50 PolarHBondContact OG1-OD1 2.83Å; T47-D50 VanDerWaalsContact OG1-OD1 3.07Å; D50-K303 WeakPolarHBondContact OD2-CD 3.46Å; D50-K303 WeakPolarHBondContact OD2-CE 3.46Å; D50-K303 IonicContact OD2-NZ 2.85Å
51Y98.3Very high97.7Very high0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-102.8125.6160.1-67.4-92.7000109.1S14 V15 K17 I20 L44 T45 E46 M207S14-Y51 CarbonylContact C-O 3.4Å; S14-Y51 VanDerWaalsContact CA-O 3.24Å; S14-Y51 WeakPolarHBondContact CA-O 3.43Å; V15-Y51 PolarHBondContact N-O 3.26Å; V15-Y51 PolarHBondContact O-N 2.83Å; K17-Y51 HydrophobicContact CB-CE2 4.31Å; K17-Y51 HydrophobicContact CG-CD2 4.41Å; K17-Y51 HydrophobicContact CG-CE2 4.22Å; I20-Y51 HydrophobicContact CB-CD2 4.03Å; I20-Y51 HydrophobicContact CB-CE2 3.65Å; I20-Y51 HydrophobicContact CD1-CD1 4.08Å; I20-Y51 HydrophobicContact CD1-CD2 3.69Å; I20-Y51 HydrophobicContact CD1-CE1 4.32Å; I20-Y51 HydrophobicContact CD1-CE2 3.97Å; I20-Y51 HydrophobicContact CD1-CG 3.75Å; I20-Y51 HydrophobicContact CG1-CD2 3.96Å; I20-Y51 HydrophobicContact CG1-CE1 4.27Å; I20-Y51 HydrophobicContact CG1-CE2 3.69Å; I20-Y51 HydrophobicContact CG1-CG 4.36Å; I20-Y51 HydrophobicContact CG2-CE2 4.02Å; L44-Y51 HydrophobicContact CD1-CD1 4.01Å; L44-Y51 HydrophobicContact CD1-CG 4.45Å; L44-Y51 HydrophobicContact CD2-CD1 4.25Å; L44-Y51 HydrophobicContact CG-CD1 4.21Å; T45-Y51 CarbonylContact O-C 3.5Å; T45-Y51 WeakPolarHBondContact O-CA 3.36Å; E46-Y51 HydrophobicContact CB-CD1 3.78Å; E46-Y51 HydrophobicContact CB-CE1 3.57Å; E46-Y51 HydrophobicContact CG-CD1 3.97Å; E46-Y51 HydrophobicContact CG-CE1 3.48Å; E46-Y51 VanDerWaalsContact CG-CE1 3.48Å; E46-Y51 HydrophobicContact CG-CE2 4.42Å; E46-Y51 PolarHBondContact OE1-OH 3.15Å; Y51-M207 WeakPolarHBondContact CE1-O 3.27Å; Y51-M207 PolarHBondContact OH-O 2.77Å
52T98.7Very high97.7Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-95.4130.6168.1-61.70000109.8V12 A13 L44 T45 I54 T301 F302V12-T52 HydrophobicContact CG1-CG2 4.14Å; A13-T52 CarbonylContact O-C 3.56Å; A13-T52 WeakPolarHBondContact O-CA 3.22Å; L44-T52 CarbonylContact C-O 3.55Å; L44-T52 WeakPolarHBondContact CA-O 3.5Å; T45-T52 PolarHBondContact N-O 2.85Å; T45-T52 PolarHBondContact O-N 3.44Å; T52-I54 HydrophobicContact CG2-CG1 4.46Å; T52-T301 WeakPolarHBondContact OG1-CB 3.35Å; T52-F302 HydrophobicContact CG2-CB 4.24Å; T52-F302 WeakPolarHBondContact OG1-CB 3.49Å; T52-F302 PolarHBondContact OG1-N 3.35Å
53I98.8Very high97.7Very high0 Ų024.5 Ų24.50%012%0.122CC..EExtended strand (participates in β ladder)trans-113.6127.7175.9-60162.1000108V12 A13 V15 L27 F42 S43 L44 V55 L63V12-I53 CarbonylContact C-O 3.53Å; V12-I53 WeakPolarHBondContact CA-O 3.18Å; A13-I53 PolarHBondContact N-O 2.79Å; A13-I53 PolarHBondContact O-N 3.48Å; V15-I53 HydrophobicContact CG2-CD1 3.83Å; L27-I53 HydrophobicContact CD2-CD1 3.87Å; L27-I53 HydrophobicContact CD2-CG1 4.24Å; F42-I53 HydrophobicContact CD2-CG2 4.42Å; F42-I53 HydrophobicContact CE2-CG2 4.13Å; S43-I53 CarbonylContact O-C 3.57Å; S43-I53 WeakPolarHBondContact O-CA 3.49Å; L44-I53 HydrophobicContact CD1-CD1 4.41Å; L44-I53 HydrophobicContact CD1-CG1 3.57Å; I53-V55 HydrophobicContact CG2-CB 3.97Å; I53-V55 HydrophobicContact CG2-CG1 3.98Å; I53-L63 HydrophobicContact CD1-CD1 4.05Å; I53-L63 HydrophobicContact CD1-CD2 4.26Å; I53-L63 HydrophobicContact CG2-CD1 4.21Å
54I98.8Very high97.5Very high1 Ų127 Ų271%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-115.5117.6168.1-52.4168.6000105.9L10 Q11 V12 F41 F42 S43 T52 F115 L117 L126L10-I54 HydrophobicContact CB-CG2 4.44Å; L10-I54 HydrophobicContact CD1-CG2 4.12Å; Q11-I54 WeakPolarHBondContact O-CA 3.37Å; V12-I54 HydrophobicContact CG2-CG1 4.37Å; V12-I54 HydrophobicContact CG2-CG2 4.48Å; F41-I54 HydrophobicContact CD1-CG2 4.22Å; F41-I54 HydrophobicContact CE1-CG2 3.77Å; F42-I54 CarbonylContact C-O 3.59Å; F42-I54 WeakPolarHBondContact CA-O 3.48Å; S43-I54 PolarHBondContact N-O 3.38Å; S43-I54 PolarHBondContact O-N 3.38Å; T52-I54 HydrophobicContact CG2-CG1 4.46Å; I54-F115 HydrophobicContact CD1-CD1 4.32Å; I54-F115 HydrophobicContact CD1-CE1 3.73Å; I54-F115 HydrophobicContact CG1-CE1 4.33Å; I54-L117 HydrophobicContact CD1-CB 4.25Å; I54-L117 HydrophobicContact CD1-CD1 4.23Å; I54-L117 HydrophobicContact CD1-CD2 4.08Å; I54-L117 HydrophobicContact CD1-CG 4.42Å; I54-L126 HydrophobicContact CG2-CD2 3.76Å
55V98.7Very high97.3Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-145.8145.7-172.568.70000111.2L10 Q11 L30 F41 F42 I53 G59 F60 L63L10-V55 CarbonylContact C-O 3.58Å; L10-V55 WeakPolarHBondContact CA-O 3.45Å; Q11-V55 PolarHBondContact N-O 2.82Å; Q11-V55 PolarHBondContact O-N 3.34Å; L30-V55 HydrophobicContact CD1-CG2 4.32Å; L30-V55 HydrophobicContact CD2-CG2 4.34Å; F41-V55 CarbonylContact O-C 3.55Å; F41-V55 VanDerWaalsContact O-CA 3.26Å; F41-V55 WeakPolarHBondContact O-CA 3.26Å; F42-V55 HydrophobicContact CD2-CB 4.44Å; F42-V55 HydrophobicContact CD2-CG2 4.26Å; I53-V55 HydrophobicContact CG2-CB 3.97Å; I53-V55 HydrophobicContact CG2-CG1 3.98Å; V55-G59 VanDerWaalsContact CG2-C 3.44Å; V55-G59 VanDerWaalsContact CG2-CA 3.48Å; V55-F60 HydrophobicContact CG1-CB 3.88Å; V55-F60 HydrophobicContact CG1-CD2 3.93Å; V55-F60 HydrophobicContact CG1-CG 4.42Å; V55-L63 HydrophobicContact CG1-CD1 4.37Å
56D98.5Very high97.1Very high10 Ų1034.7 Ų34.75%0.05319%0.193CC..EExtended strand (participates in β ladder)trans-68.7168.4171.265.743.5000113.1H8 R9 L10 C39 K40 F41 E58 G59 F60H8-D56 HydrophobicContact CB-CB 4.5Å; R9-D56 CarbonylContact O-C 3.56Å; R9-D56 VanDerWaalsContact O-CA 3.26Å; R9-D56 WeakPolarHBondContact O-CA 3.12Å; L10-D56 HydrophobicContact CD2-CB 3.91Å; C39-D56 WeakPolarHBondContact CA-OD2 3.46Å; K40-D56 WeakPolarHBondContact CA-OD2 3.27Å; K40-D56 PolarHBondContact N-OD2 3.19Å; F41-D56 HydrophobicContact CB-CB 4.23Å; F41-D56 PolarHBondContact N-OD2 2.89Å; F41-D56 PolarHBondContact O-N 3.03Å; D56-E58 PolarHBondContact O-N 2.93Å; D56-E58 WeakPolarHBondContact OD1-CB 3.44Å; D56-E58 PolarHBondContact OD1-N 3.38Å; D56-G59 PolarHBondContact O-N 2.87Å; D56-G59 PolarHBondContact OD1-N 3.2Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 2.84Å
57E97.8Very high96.9Very high84 Ų8443.3 Ų43.339%0.39323%0.233SC..Hα-helixtrans-56.2-36.2-178.9-67.8-171.8128.700113.3R9 L61R9-E57 HydrophobicContact CB-CG 3.9Å; R9-E57 IonicContact CZ-OE1 3.46Å; R9-E57 IonicContact CZ-OE2 3.28Å; R9-E57 IonicContact NH1-OE1 2.97Å; R9-E57 PolarHBondContact NH1-OE1 3.46Å; R9-E57 IonicContact NH1-OE2 2.93Å; R9-E57 PolarHBondContact NH1-OE2 3.38Å; R9-E57 IonicContact NH2-OE1 3.18Å; R9-E57 WeakPolarHBondContact O-CG 3.5Å; R9-E57 PolarHBondContact O-N 3.5Å; E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.17Å
58E97.5Very high96.9Very high65 Ų6546.7 Ų46.730%0.30425%0.248SC..Hα-helixtrans-71.1-40.9179.1-71.6-69.5151.200111.6R38 D56R38-E58 HydrophobicContact CB-CB 4.08Å; R38-E58 HydrophobicContact CB-CG 4.03Å; R38-E58 IonicContact CZ-OE1 3.86Å; R38-E58 IonicContact CZ-OE2 3.86Å; R38-E58 IonicContact NE-OE1 3.23Å; R38-E58 IonicContact NE-OE2 2.8Å; R38-E58 PolarHBondContact NE-OE2 2.64Å; R38-E58 IonicContact NH2-OE1 3.43Å; R38-E58 PolarHBondContact NH2-OE1 3.34Å; R38-E58 IonicContact NH2-OE2 3.17Å; R38-E58 PolarHBondContact NH2-OE2 2.93Å; D56-E58 PolarHBondContact O-N 2.93Å; D56-E58 WeakPolarHBondContact OD1-CB 3.44Å; D56-E58 PolarHBondContact OD1-N 3.38Å
59G98Very high97Very high0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-73.4-29.6176.200000113.2L30 V55 D56 L61 E62L30-G59 VanDerWaalsContact CD2-CA 3.45Å; V55-G59 VanDerWaalsContact CG2-C 3.44Å; V55-G59 VanDerWaalsContact CG2-CA 3.48Å; D56-G59 PolarHBondContact O-N 2.87Å; D56-G59 PolarHBondContact OD1-N 3.2Å; G59-L61 PolarHBondContact O-N 3.37Å; G59-E62 VanDerWaalsContact O-CB 3.28Å; G59-E62 WeakPolarHBondContact O-CB 3.47Å; G59-E62 PolarHBondContact O-N 3.05Å
60F98.1Very high97.2Very high59 Ų5945.5 Ų45.526%0.25925%0.246SC..Hα-helixtrans-60.8-33.3175-170.5-104.6000112Q11 V55 D56 E62 L63 L69 V71Q11-F60 HydrophobicContact CB-CD2 3.73Å; Q11-F60 HydrophobicContact CB-CE2 4.11Å; Q11-F60 HydrophobicContact CB-CG 4.24Å; Q11-F60 HydrophobicContact CG-CB 4.36Å; Q11-F60 HydrophobicContact CG-CD1 4.4Å; Q11-F60 HydrophobicContact CG-CD2 3.96Å; Q11-F60 HydrophobicContact CG-CE2 4.38Å; Q11-F60 HydrophobicContact CG-CG 3.98Å; V55-F60 HydrophobicContact CG1-CB 3.88Å; V55-F60 HydrophobicContact CG1-CD2 3.93Å; V55-F60 HydrophobicContact CG1-CG 4.42Å; D56-F60 WeakPolarHBondContact O-CB 3.46Å; D56-F60 PolarHBondContact O-N 2.84Å; F60-E62 PolarHBondContact O-N 3.49Å; F60-L63 HydrophobicContact CD2-CD1 4.04Å; F60-L63 HydrophobicContact CE2-CD1 4.31Å; F60-L63 WeakPolarHBondContact O-CB 3.43Å; F60-L63 PolarHBondContact O-N 2.9Å; F60-L63 VanDerWaalsContact O-N 3.07Å; F60-L69 HydrophobicContact CE2-CD2 4.22Å; F60-L69 HydrophobicContact CZ-CD2 4.27Å; F60-V71 HydrophobicContact CE2-CG1 4.36Å; F60-V71 HydrophobicContact CE2-CG2 4.02Å; F60-V71 HydrophobicContact CZ-CG1 4.41Å; F60-V71 HydrophobicContact CZ-CG2 3.88Å
61L97.4Very high97.2Very high129 Ų12948.2 Ų48.268%0.67526%0.262SS*.THydrogen-bonded Turntrans-63-19.1174.6-61.8174.2000113.5E57 G59 L63E57-L61 WeakPolarHBondContact O-CG 3.47Å; E57-L61 PolarHBondContact O-N 3.17Å; G59-L61 PolarHBondContact O-N 3.37Å; L61-L63 VanDerWaalsContact C-N 3.29Å
62E97.5Very high97.2Very high39 Ų3948.5 Ų48.518%0.18227%0.265CS..THydrogen-bonded Turntrans-80-13.6176.9-53-64.6-172.800112.6G26 K29 L30 T37 G59 F60G26-E62 WeakPolarHBondContact CA-O 3.37Å; K29-E62 HydrophobicContact CD-CG 4.47Å; K29-E62 VanDerWaalsContact CD-OE2 3.26Å; K29-E62 WeakPolarHBondContact CD-OE2 3.32Å; K29-E62 WeakPolarHBondContact CE-OE1 3.35Å; K29-E62 WeakPolarHBondContact CE-OE2 3.48Å; K29-E62 IonicContact NZ-OE1 3.56Å; K29-E62 PolarHBondContact NZ-OE1 3.17Å; K29-E62 IonicContact NZ-OE2 3.83Å; K29-E62 PolarHBondContact NZ-OE2 3.4Å; L30-E62 HydrophobicContact CD1-CB 4.37Å; L30-E62 HydrophobicContact CD2-CB 4.11Å; L30-E62 HydrophobicContact CD2-CG 3.84Å; L30-E62 HydrophobicContact CG-CB 4.12Å; L30-E62 HydrophobicContact CG-CG 4.32Å; T37-E62 WeakPolarHBondContact CB-OE1 3.39Å; T37-E62 PolarHBondContact OG1-OE1 3.09Å; G59-E62 VanDerWaalsContact O-CB 3.28Å; G59-E62 WeakPolarHBondContact O-CB 3.47Å; G59-E62 PolarHBondContact O-N 3.05Å; F60-E62 PolarHBondContact O-N 3.49Å
63L97.6Very high97.1Very high13 Ų1356.1 Ų56.17%0.06831%0.306CS..SBendtrans-87132.2177.9-56.1-179.6000110.2L27 L30 I53 V55 F60 L61 L69L27-L63 HydrophobicContact CD2-CD2 3.97Å; L27-L63 HydrophobicContact CG-CD2 4.43Å; L30-L63 HydrophobicContact CD1-CD2 4.12Å; I53-L63 HydrophobicContact CD1-CD1 4.05Å; I53-L63 HydrophobicContact CD1-CD2 4.26Å; I53-L63 HydrophobicContact CG2-CD1 4.21Å; V55-L63 HydrophobicContact CG1-CD1 4.37Å; F60-L63 HydrophobicContact CD2-CD1 4.04Å; F60-L63 HydrophobicContact CE2-CD1 4.31Å; F60-L63 WeakPolarHBondContact O-CB 3.43Å; F60-L63 PolarHBondContact O-N 2.9Å; F60-L63 VanDerWaalsContact O-N 3.07Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L63-L69 HydrophobicContact CB-CD2 4.43Å
64P95.8Very high97Very high52 Ų5257 Ų5734%0.33831%0.313SS..PPolyproline II helixtrans-66.7140.3176.127.9-34.9000111.1L22 F23 S66L22-P64 WeakPolarHBondContact O-CG 3.11Å; F23-P64 HydrophobicContact CD1-CG 3.78Å; F23-P64 HydrophobicContact CE1-CG 3.95Å; F23-P64 HydrophobicContact CG-CG 4.38Å; P64-S66 PolarHBondContact O-N 2.8Å
65S93.4Very high96.9Very high129 Ų12958.5 Ų58.590%0.90232%0.322SS*.PPolyproline II helixtrans-62.7122165.6-52.20000109.3
66S94Very high96.9Very high36 Ų3658.6 Ų58.625%0.25232%0.322SS..  trans-154.7145.6-174.1175.90000109.9P64 H68 L69P64-S66 PolarHBondContact O-N 2.8Å; S66-H68 PolarHBondContact O-N 3.32Å; S66-H68 PolarHBondContact OG-CD2 3.24Å; S66-H68 PolarHBondContact OG-N 3.29Å; S66-L69 PolarHBondContact O-N 2.88Å; S66-L69 VanDerWaalsContact O-N 3.16Å
67E94.5Very high96.9Very high181 Ų18158.6 Ų58.685%0.84632%0.322SS*.THydrogen-bonded Turntrans-65-16.1171.965.9-174.8156.700112.9L69E67-L69 VanDerWaalsContact C-N 3.31Å
68H95.4Very high96.9Very high71 Ų7154.6 Ų54.633%0.32930%0.304SS..THydrogen-bonded Turntrans-860.3176.7-56.6-69000113.7S19 F23 S66S19-H68 WeakPolarHBondContact OG-CB 3.26Å; S19-H68 PolarHBondContact OG-ND1 3.38Å; F23-H68 HydrophobicContact CE2-CB 4.18Å; F23-H68 HydrophobicContact CZ-CB 4.36Å; S66-H68 PolarHBondContact O-N 3.32Å; S66-H68 PolarHBondContact OG-CD2 3.24Å; S66-H68 PolarHBondContact OG-N 3.29Å
69L97.5Very high96.9Very high25 Ų2551.5 Ų51.513%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-103.6106.4175.5-172.168.1000109.4A13 V15 F23 F60 L63 S66 E67 V71A13-L69 HydrophobicContact CB-CD1 3.76Å; A13-L69 HydrophobicContact CB-CG 4.36Å; V15-L69 HydrophobicContact CG2-CD1 3.52Å; F23-L69 HydrophobicContact CD1-CD1 4.45Å; F23-L69 HydrophobicContact CE1-CB 3.82Å; F23-L69 HydrophobicContact CE1-CD1 3.83Å; F23-L69 HydrophobicContact CE1-CD2 4.25Å; F23-L69 HydrophobicContact CE1-CG 4.18Å; F23-L69 HydrophobicContact CZ-CB 3.8Å; F23-L69 HydrophobicContact CZ-CD1 4.32Å; F60-L69 HydrophobicContact CE2-CD2 4.22Å; F60-L69 HydrophobicContact CZ-CD2 4.27Å; L63-L69 HydrophobicContact CB-CD2 4.43Å; S66-L69 PolarHBondContact O-N 2.88Å; S66-L69 VanDerWaalsContact O-N 3.16Å; E67-L69 VanDerWaalsContact C-N 3.31Å; L69-V71 HydrophobicContact CD2-CG2 4.16Å; L69-V71 HydrophobicContact CG-CG2 4.01Å
70S97.9Very high96.7Very high62 Ų6253 Ų5343%0.43430%0.297SS..EExtended strand (participates in β ladder)trans-88.4127.9170-63.10000109.1A13 S14A13-S70 CarbonylContact C-O 3.52Å; A13-S70 WeakPolarHBondContact CA-O 3.37Å; A13-S70 WeakPolarHBondContact CB-O 3.47Å; S14-S70 PolarHBondContact N-O 2.91Å; S14-S70 PolarHBondContact O-N 3.42Å
71V98Very high96.4Very high56 Ų5650.6 Ų50.634%0.33929%0.287SS..EExtended strand (participates in β ladder)trans-117.2135.4179-170.50000108.7A13 F60 L69A13-V71 HydrophobicContact CB-CG2 4.14Å; F60-V71 HydrophobicContact CE2-CG1 4.36Å; F60-V71 HydrophobicContact CE2-CG2 4.02Å; F60-V71 HydrophobicContact CZ-CG1 4.41Å; F60-V71 HydrophobicContact CZ-CG2 3.88Å; L69-V71 HydrophobicContact CD2-CG2 4.16Å; L69-V71 HydrophobicContact CG-CG2 4.01Å
72A97.3Very high95.8Very high6 Ų647 Ų475%0.0527%0.271CS..  trans-63135173.100000109.3V12 A74 F276 F302V12-A72 HydrophobicContact CB-CB 4.24Å; V12-A72 WeakPolarHBondContact O-CB 3.33Å; V12-A72 PolarHBondContact O-N 3.18Å; A72-A74 PolarHBondContact O-N 3Å; A72-F276 HydrophobicContact CB-CD1 4.27Å; A72-F276 HydrophobicContact CB-CD2 4.05Å; A72-F276 HydrophobicContact CB-CE1 3.98Å; A72-F276 HydrophobicContact CB-CE2 3.75Å; A72-F276 HydrophobicContact CB-CG 4.31Å; A72-F276 HydrophobicContact CB-CZ 3.71Å; A72-F302 HydrophobicContact CB-CE2 4.39Å
73D95.9Very high94.5Very high161 Ų16149.3 Ų49.386%0.86129%0.291SS*.SBendtrans-77.958.6-179.4-171.928.7000111.9
74A96.8Very high92.3Very high18 Ų1852 Ų5215%0.14932%0.322CS..SBendtrans-162143.5176.900000110.8A72 W76 R128A72-A74 PolarHBondContact O-N 3Å; A74-W76 HydrophobicContact CB-CZ2 4.27Å; A74-W76 VanDerWaalsContact O-CD1 3.25Å; A74-W76 PolarHBondContact O-NE1 3.32Å; A74-R128 HydrophobicContact CB-CG 3.87Å
75T98.3Very high89.6Confident32 Ų3252.9 Ų52.920%0.19634%0.341CS..  trans-88.6134.1160.3-570000108.8R9 Q11 E129R9-T75 HydrophobicContact CB-CG2 3.84Å; R9-T75 HydrophobicContact CG-CG2 4.39Å; Q11-T75 PolarHBondContact NE2-OG1 3.31Å; T75-E129 PolarHBondContact O-N 2.88Å
76W98.6Very high86.7Confident2 Ų250.3 Ų50.31%0.00833%0.334CS..EExtended strand (participates in β ladder)trans-109.7149.1-176.8-57.379.8000110.7L10 V12 A74 F115 L126 V127 R128 F276L10-W76 HydrophobicContact CB-CB 4.17Å; L10-W76 PolarHBondContact N-O 3.01Å; L10-W76 PolarHBondContact O-N 3.46Å; V12-W76 HydrophobicContact CG2-CG 4.26Å; A74-W76 HydrophobicContact CB-CZ2 4.27Å; A74-W76 VanDerWaalsContact O-CD1 3.25Å; A74-W76 PolarHBondContact O-NE1 3.32Å; W76-F115 HydrophobicContact CE3-CB 4.21Å; W76-F115 HydrophobicContact CH2-CB 4.2Å; W76-F115 HydrophobicContact CZ3-CB 3.85Å; W76-L126 HydrophobicContact CB-CB 4.25Å; W76-L126 HydrophobicContact CB-CD2 4.27Å; W76-L126 HydrophobicContact CB-CG 4.45Å; W76-L126 HydrophobicContact CE3-CB 3.95Å; W76-V127 CarbonylContact C-O 3.57Å; W76-V127 VanDerWaalsContact CA-O 3.3Å; W76-V127 WeakPolarHBondContact CA-O 3.44Å; W76-R128 HydrophobicContact CD2-CG 4.22Å; W76-R128 HydrophobicContact CE3-CG 3.95Å; W76-R128 HydrophobicContact CH2-CG 3.83Å; W76-R128 HydrophobicContact CZ2-CG 4.09Å; W76-R128 HydrophobicContact CZ3-CG 3.75Å; W76-F276 HydrophobicContact CH2-CB 4.35Å; W76-F276 HydrophobicContact CH2-CD1 4.13Å; W76-F276 HydrophobicContact CZ2-CB 4.18Å; W76-F276 AromaticContact CZ2-CD1 3.68Å; W76-F276 HydrophobicContact CZ2-CD1 3.68Å; W76-F276 HydrophobicContact CZ2-CE1 4.47Å; W76-F276 HydrophobicContact CZ2-CG 4.22Å
77L98.2Very high83.7Confident10 Ų1053.1 Ų53.15%0.05235%0.354CS..EExtended strand (participates in β ladder)trans-115.9135.3170.4-62.1176.6000108.2I5 R9 L126 V127 E129 L132I5-L77 HydrophobicContact CG2-CD1 4.27Å; R9-L77 HydrophobicContact CG-CD2 3.92Å; L77-L126 WeakPolarHBondContact O-CA 3.44Å; L77-V127 HydrophobicContact CB-CG2 4.42Å; L77-V127 PolarHBondContact N-O 2.74Å; L77-V127 PolarHBondContact O-N 2.83Å; L77-E129 HydrophobicContact CD1-CB 4.25Å; L77-E129 HydrophobicContact CD1-CG 4.11Å; L77-E129 HydrophobicContact CG-CB 4.14Å; L77-E129 HydrophobicContact CG-CG 4.35Å; L77-L132 HydrophobicContact CD1-CB 4.4Å; L77-L132 HydrophobicContact CD1-CD1 4.2Å; L77-L132 HydrophobicContact CD1-CD2 3.72Å; L77-L132 HydrophobicContact CD1-CG 4.32Å
78A97.9Very high81Confident0 Ų055.3 Ų55.30%036%0.361CS..EExtended strand (participates in β ladder)trans-84.3130.517400000110.5L6 L10 F41 F124 L126L6-A78 HydrophobicContact CB-CB 4.35Å; L6-A78 WeakPolarHBondContact CB-O 3.48Å; L6-A78 HydrophobicContact CD1-CB 3.98Å; L6-A78 HydrophobicContact CG-CB 4.39Å; L6-A78 WeakPolarHBondContact CG-O 3.22Å; L6-A78 PolarHBondContact N-O 3.33Å; L10-A78 HydrophobicContact CD1-CB 3.95Å; F41-A78 HydrophobicContact CE2-CB 4Å; A78-F124 HydrophobicContact CB-CD1 4.22Å; A78-L126 HydrophobicContact CB-CD1 4.36Å
79L96.7Very high78Confident0 Ų055.7 Ų55.70%037%0.372CS..EExtended strand (participates in β ladder)trans-104.3143.2168.8-44.1174.8000108.9L3 H4 I5 I125 V127 V135L3-L79 HydrophobicContact CD1-CB 4.12Å; H4-L79 CarbonylContact O-C 3.58Å; H4-L79 WeakPolarHBondContact O-CA 3.29Å; I5-L79 HydrophobicContact CB-CD2 4.15Å; I5-L79 HydrophobicContact CG1-CD2 3.66Å; I5-L79 HydrophobicContact CG2-CD2 4.19Å; L79-I125 HydrophobicContact CB-CB 4.2Å; L79-I125 HydrophobicContact CB-CD1 4.45Å; L79-I125 WeakPolarHBondContact CB-O 3.36Å; L79-I125 WeakPolarHBondContact CG-O 3.28Å; L79-I125 PolarHBondContact N-O 2.86Å; L79-I125 PolarHBondContact O-N 2.95Å; L79-V127 HydrophobicContact CD1-CG1 3.77Å; L79-V127 HydrophobicContact CD1-CG2 3.95Å; L79-V127 HydrophobicContact CD2-CG2 4.11Å; L79-V127 HydrophobicContact CG-CG1 4.47Å; L79-V127 HydrophobicContact CG-CG2 4.01Å; L79-V135 HydrophobicContact CD1-CG1 3.73Å
80N93.1Very high75Confident32 Ų3258.6 Ų58.617%0.17139%0.394CS..EExtended strand (participates in β ladder)trans-130.1136.4173.9-171.421.1000110H4 L6 T122H4-N80 PolarHBondContact N-O 3.43Å; H4-N80 PolarHBondContact O-N 2.93Å; L6-N80 HydrophobicContact CD1-CB 4.5Å; L6-N80 HydrophobicContact CD2-CB 4.45Å; N80-T122 PolarHBondContact OD1-OG1 3.25Å
81V92.2Very high72Confident9 Ų961 Ų616%0.05541%0.411CS..EExtended strand (participates in β ladder)trans-97.2121177.9177.10000109.2L3 I99 V103 I125 F143L3-V81 HydrophobicContact CD1-CG2 3.64Å; V81-I99 HydrophobicContact CB-CG2 4.04Å; V81-I99 HydrophobicContact CG1-CG2 4.23Å; V81-I99 HydrophobicContact CG2-CG2 3.88Å; V81-V103 HydrophobicContact CG2-CG2 3.85Å; V81-I125 HydrophobicContact CG2-CD1 4.35Å; V81-F143 HydrophobicContact CG1-CE1 3.79Å; V81-F143 HydrophobicContact CG1-CZ 4.45Å; V81-F143 HydrophobicContact CG2-CE1 4.43Å
82V84.8Confident69.4Low54 Ų5464.4 Ų64.433%0.32742%0.423SS..EExtended strand (participates in β ladder)trans-108.9113.7176.6-174.40000109.1E2 G84E2-V82 HydrophobicContact CB-CB 4.41Å; E2-V82 PolarHBondContact N-O 3.43Å; E2-V82 PolarHBondContact O-N 3.1Å; V82-G84 PolarHBondContact O-N 3.09Å; V82-G84 VanDerWaalsContact O-N 3.14Å
83S71.6Confident67Low86 Ų8665.8 Ų65.860%0.60143%0.431SS*.  trans-78.694.2170-730000109.1G85S83-G85 PolarHBondContact O-N 3.45Å
84G50.2Low65.2Low71 Ų7161.1 Ų61.173%0.73241%0.406SS*.  trans-65.394.8170.300000110.7V82V82-G84 PolarHBondContact O-N 3.09Å; V82-G84 VanDerWaalsContact O-N 3.14Å
85G40.1Very low64Low70 Ų7060.4 Ų60.472%0.72240%0.4SS*.  trans179.693.5178.600000114.9S83S83-G85 PolarHBondContact O-N 3.45Å
86G32Very low63.2Low74 Ų7458.9 Ų58.976%0.76339%0.391SS*.SBendtrans62114.7139.800000119.4
87S30.3Very low62.5Low95 Ų9559.5 Ų59.566%0.66440%0.395SS*.  trans75.3116165.8-166.60000115.1S89S87-S89 WeakPolarHBondContact CB-OG 3.45Å; S87-S89 PolarHBondContact O-N 3.05Å; S87-S89 WeakPolarHBondContact OG-CB 3.39Å; S87-S89 PolarHBondContact OG-N 3.29Å; S87-S89 PolarHBondContact OG-OG 3.29Å
88F38.3Very low62Low227 Ų22764.7 Ų64.7100%0.99642%0.417SS*.  trans-61.627163.5-87-93.4000113.2S90F88-S90 PolarHBondContact O-N 3.15Å
89S33Very low61.6Low79 Ų7965 Ų6555%0.55242%0.418SS*.  trans-87.2102.4177.953.30000109.9S87S87-S89 WeakPolarHBondContact CB-OG 3.45Å; S87-S89 PolarHBondContact O-N 3.05Å; S87-S89 WeakPolarHBondContact OG-CB 3.39Å; S87-S89 PolarHBondContact OG-N 3.29Å; S87-S89 PolarHBondContact OG-OG 3.29Å
90S32.8Very low61.3Low86 Ų8665 Ų6560%0.60142%0.418SS*.  trans69.9106172.870.80000115.8F88 Q92F88-S90 PolarHBondContact O-N 3.15Å; S90-Q92 PolarHBondContact O-N 2.89Å
91S35.3Very low61.2Low112 Ų11270.8 Ų70.878%0.78344%0.442SS*.  trans-50.477.1156.651.90000110.9
92Q44Very low61.2Low128 Ų12871.2 Ų71.260%0.59845%0.446SS*.  trans-78.9123.6165.9-71.9-65.8-28.900106.7S90 I94S90-Q92 PolarHBondContact O-N 2.89Å; Q92-I94 PolarHBondContact O-N 2.89Å; Q92-I94 VanDerWaalsContact O-N 3.13Å
93P46Very low61.7Low35 Ų3568.7 Ų68.723%0.22743%0.43CS..  trans-53125.6-176.720.9-31.5000110.2G95 K98 Y297P93-G95 VanDerWaalsContact C-N 3.31Å; P93-G95 PolarHBondContact O-N 2.79Å; P93-G95 VanDerWaalsContact O-N 3.14Å; P93-K98 WeakPolarHBondContact O-CE 3.22Å; P93-K98 PolarHBondContact O-NZ 3.32Å; P93-Y297 HydrophobicContact CB-CE2 4.17Å; P93-Y297 WeakPolarHBondContact CB-OH 3.24Å
94I59.5Low62.8Low64 Ų6464.7 Ų64.733%0.32840%0.402SS..  trans-74.798.8166.2-56.3172000102.6Q92Q92-I94 PolarHBondContact O-N 2.89Å; Q92-I94 VanDerWaalsContact O-N 3.13Å
95G71.6Confident64.9Low2 Ų261.6 Ų61.62%0.02137%0.369CS..  trans-105157.3174.500000109.5P93 T97 K98 D123 A296P93-G95 VanDerWaalsContact C-N 3.31Å; P93-G95 PolarHBondContact O-N 2.79Å; P93-G95 VanDerWaalsContact O-N 3.14Å; G95-T97 PolarHBondContact O-N 3.35Å; G95-K98 WeakPolarHBondContact O-CB 3.43Å; G95-K98 PolarHBondContact O-N 2.83Å; G95-D123 VanDerWaalsContact CA-OD2 3.24Å; G95-D123 WeakPolarHBondContact CA-OD2 3.3Å; G95-D123 PolarHBondContact N-OD2 2.77Å; G95-A296 CarbonylContact C-O 3.53Å; G95-A296 WeakPolarHBondContact CA-O 3.24Å
96V80.9Confident67.5Low0 Ų059.6 Ų59.60%034%0.344CS..Hα-helixtrans-54-26.7-173.6-57.60000113.6K98 I99 A100 M116 S118 D123 A296 Y298V96-K98 VanDerWaalsContact C-N 3.26Å; V96-K98 PolarHBondContact O-N 2.71Å; V96-I99 CarbonylContact O-C 3.58Å; V96-I99 WeakPolarHBondContact O-CG1 3.28Å; V96-I99 PolarHBondContact O-N 3.04Å; V96-I99 VanDerWaalsContact O-N 3.17Å; V96-A100 PolarHBondContact O-N 3.35Å; V96-M116 HydrophobicContact CB-CE 4.22Å; V96-M116 HydrophobicContact CG1-CE 3.38Å; V96-S118 WeakPolarHBondContact CG1-OG 3.28Å; V96-D123 PolarHBondContact N-OD2 2.87Å; V96-D123 VanDerWaalsContact N-OD2 3.12Å; V96-A296 HydrophobicContact CG2-CB 4.05Å; V96-A296 PolarHBondContact N-O 3Å; V96-Y298 VanDerWaalsContact CG1-CB 3.48Å; V96-Y298 HydrophobicContact CG2-CD2 4.21Å; V96-Y298 HydrophobicContact CG2-CG 4.49Å
97T83.9Confident70.5Confident15 Ų1556.1 Ų56.19%0.09231%0.308CS..Hα-helixtrans-52.5-39.8172.4-52.60000112.9G95 I99 A100 A290 I294 A296G95-T97 PolarHBondContact O-N 3.35Å; T97-I99 VanDerWaalsContact C-N 3.32Å; T97-I99 PolarHBondContact O-N 3.27Å; T97-A100 WeakPolarHBondContact O-CB 3.14Å; T97-A100 PolarHBondContact O-N 3.17Å; T97-A290 HydrophobicContact CG2-CB 3.55Å; T97-A290 WeakPolarHBondContact O-CB 3.45Å; T97-I294 WeakPolarHBondContact CB-O 3.22Å; T97-I294 WeakPolarHBondContact CG2-O 3.18Å; T97-I294 PolarHBondContact OG1-O 3.22Å; T97-A296 PolarHBondContact OG1-N 3.16Å
98K87.2Confident73.6Confident120 Ų12052 Ų5252%0.52228%0.279SS..Hα-helixtrans-70.3-29.5-178.5-70.8-179.1178.1164.80112.7P93 G95 V96P93-K98 WeakPolarHBondContact O-CE 3.22Å; P93-K98 PolarHBondContact O-NZ 3.32Å; G95-K98 WeakPolarHBondContact O-CB 3.43Å; G95-K98 PolarHBondContact O-N 2.83Å; V96-K98 VanDerWaalsContact C-N 3.26Å; V96-K98 PolarHBondContact O-N 2.71Å
99I90.6Very high76.2Confident6 Ų643 Ų433%0.03124%0.241CC..Hα-helixtrans-99.8-1.217961.4168.2000112.7V81 V96 T97 K101 S102 V103 I104 M116 D123 I125V81-I99 HydrophobicContact CB-CG2 4.04Å; V81-I99 HydrophobicContact CG1-CG2 4.23Å; V81-I99 HydrophobicContact CG2-CG2 3.88Å; V96-I99 CarbonylContact O-C 3.58Å; V96-I99 WeakPolarHBondContact O-CG1 3.28Å; V96-I99 PolarHBondContact O-N 3.04Å; V96-I99 VanDerWaalsContact O-N 3.17Å; T97-I99 VanDerWaalsContact C-N 3.32Å; T97-I99 PolarHBondContact O-N 3.27Å; I99-K101 PolarHBondContact O-N 2.96Å; I99-S102 PolarHBondContact O-N 3.43Å; I99-V103 HydrophobicContact CB-CB 4.26Å; I99-V103 HydrophobicContact CB-CG2 4.21Å; I99-V103 WeakPolarHBondContact O-CA 3.48Å; I99-V103 PolarHBondContact O-N 3.47Å; I99-I104 HydrophobicContact CD1-CD1 4.2Å; I99-I104 HydrophobicContact CD1-CG1 4.37Å; I99-I104 HydrophobicContact CG1-CG1 4.23Å; I99-I104 PolarHBondContact O-N 3.34Å; I99-I104 VanDerWaalsContact O-N 3.15Å; I99-M116 HydrophobicContact CD1-CE 4.09Å; I99-D123 HydrophobicContact CD1-CB 4.28Å; I99-I125 HydrophobicContact CD1-CD1 3.68Å; I99-I125 HydrophobicContact CD1-CG1 3.76Å
100A90.5Very high79Confident0 Ų040.8 Ų40.80%022%0.223CC..Iπ-helixtrans-56.1-49.7-176.200000111.7V96 T97 I104 A105 A290V96-A100 PolarHBondContact O-N 3.35Å; T97-A100 WeakPolarHBondContact O-CB 3.14Å; T97-A100 PolarHBondContact O-N 3.17Å; A100-I104 PolarHBondContact O-N 3.46Å; A100-A105 VanDerWaalsContact O-CB 3.28Å; A100-A105 WeakPolarHBondContact O-CB 3.44Å; A100-A105 PolarHBondContact O-N 3.11Å; A100-A290 HydrophobicContact CB-CB 3.87Å
101K90.7Very high81.9Confident153 Ų15342 Ų4267%0.66522%0.222SC*.Iπ-helixtrans-76.3-33.9-178-71.3179.5177.9171.30113.8I99 P106I99-K101 PolarHBondContact O-N 2.96Å; K101-P106 VanDerWaalsContact O-CD 3.31Å; K101-P106 WeakPolarHBondContact O-CD 3.26Å
102S91.8Very high84.7Confident19 Ų1937 Ų3713%0.13319%0.187CC..Iπ-helixtrans-93.1-25.4-171.657.60000113.4I99 L139 F143I99-S102 PolarHBondContact O-N 3.43Å; S102-L139 WeakPolarHBondContact O-CD2 3.21Å; S102-F143 WeakPolarHBondContact O-CE2 3.39Å
103V95.1Very high87.2Confident0 Ų031.2 Ų31.20%016%0.16CC..Iπ-helixtrans-124.2-59.1-176.2-177.90000111.3V81 I99 P106 L107 I125 L139 F143V81-V103 HydrophobicContact CG2-CG2 3.85Å; I99-V103 HydrophobicContact CB-CB 4.26Å; I99-V103 HydrophobicContact CB-CG2 4.21Å; I99-V103 WeakPolarHBondContact O-CA 3.48Å; I99-V103 PolarHBondContact O-N 3.47Å; V103-P106 WeakPolarHBondContact O-CD 3.4Å; V103-L107 HydrophobicContact CG1-CD1 3.91Å; V103-L107 WeakPolarHBondContact O-CB 3.42Å; V103-L107 VanDerWaalsContact O-CG 3.26Å; V103-L107 WeakPolarHBondContact O-CG 3.36Å; V103-L107 PolarHBondContact O-N 3.4Å; V103-L107 VanDerWaalsContact O-N 3.09Å; V103-I125 HydrophobicContact CG1-CG1 4.43Å; V103-L139 HydrophobicContact CG1-CD1 4Å; V103-F143 HydrophobicContact CG2-CE2 3.79Å; V103-F143 HydrophobicContact CG2-CZ 3.72Å
104I95.4Very high89.7Confident2 Ų230.5 Ų30.51%0.0116%0.155CC..Iπ-helixtrans-65.7-48.4-169.2-53.8-58.3000111.7I99 A100 L107 A108 M116 I125 V282 A283I99-I104 HydrophobicContact CD1-CD1 4.2Å; I99-I104 HydrophobicContact CD1-CG1 4.37Å; I99-I104 HydrophobicContact CG1-CG1 4.23Å; I99-I104 PolarHBondContact O-N 3.34Å; I99-I104 VanDerWaalsContact O-N 3.15Å; A100-I104 PolarHBondContact O-N 3.46Å; I104-L107 PolarHBondContact O-N 3.2Å; I104-A108 WeakPolarHBondContact O-CB 3.35Å; I104-A108 PolarHBondContact O-N 3.44Å; I104-M116 HydrophobicContact CD1-CE 4.19Å; I104-M116 HydrophobicContact CD1-SD 3.81Å; I104-I125 HydrophobicContact CD1-CG1 4.32Å; I104-I125 HydrophobicContact CD1-CG2 4.41Å; I104-V282 HydrophobicContact CD1-CG1 4.44Å; I104-V282 HydrophobicContact CG2-CB 3.95Å; I104-V282 HydrophobicContact CG2-CG1 3.85Å; I104-A283 HydrophobicContact CG2-CB 3.95Å
105A94.5Very high91.5Very high6 Ų628 Ų285%0.0514%0.142CC..Hα-helixtrans-65.5-46.9179.900000112.8A100 L107 A108 D109 R173 E287A100-A105 VanDerWaalsContact O-CB 3.28Å; A100-A105 WeakPolarHBondContact O-CB 3.44Å; A100-A105 PolarHBondContact O-N 3.11Å; A105-L107 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.78Å; A105-A108 PolarHBondContact O-N 3.02Å; A105-D109 PolarHBondContact O-N 3.3Å; A105-R173 PolarHBondContact O-NH2 2.97Å; A105-E287 HydrophobicContact CB-CG 4.17Å; A105-E287 WeakPolarHBondContact CB-OE1 3.16Å
106P94.2Very high92.7Very high29 Ų2927.9 Ų27.919%0.18814%0.141CC..Hα-helixtrans-57.2-41.6173.7-29.837000114.2K101 V103 D109 Q110 T138 L139K101-P106 VanDerWaalsContact O-CD 3.31Å; K101-P106 WeakPolarHBondContact O-CD 3.26Å; V103-P106 WeakPolarHBondContact O-CD 3.4Å; P106-D109 PolarHBondContact O-N 2.94Å; P106-Q110 PolarHBondContact O-N 3.45Å; P106-T138 HydrophobicContact CB-CG2 3.83Å; P106-T138 WeakPolarHBondContact O-CG2 3.41Å; P106-L139 HydrophobicContact CB-CD2 4.03Å
107L95.4Very high93.6Very high0 Ų027.9 Ų27.90%014%0.141CC..Hα-helixtrans-65.8-42.1176.1-68.3-179.4000111.5V103 I104 A105 D109 Q110 N111 I112 V114 V127 V135 T138 L139V103-L107 HydrophobicContact CG1-CD1 3.91Å; V103-L107 WeakPolarHBondContact O-CB 3.42Å; V103-L107 VanDerWaalsContact O-CG 3.26Å; V103-L107 WeakPolarHBondContact O-CG 3.36Å; V103-L107 PolarHBondContact O-N 3.4Å; V103-L107 VanDerWaalsContact O-N 3.09Å; I104-L107 PolarHBondContact O-N 3.2Å; A105-L107 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.78Å; L107-D109 VanDerWaalsContact C-N 3.35Å; L107-D109 PolarHBondContact O-N 3.12Å; L107-Q110 CarbonylContact O-C 3.57Å; L107-Q110 PolarHBondContact O-N 2.86Å; L107-N111 PolarHBondContact O-N 3.18Å; L107-I112 HydrophobicContact CB-CB 4.17Å; L107-I112 HydrophobicContact CD2-CB 4.32Å; L107-I112 HydrophobicContact CD2-CD1 3.67Å; L107-I112 HydrophobicContact CD2-CG2 4.31Å; L107-I112 WeakPolarHBondContact O-CB 3.33Å; L107-I112 PolarHBondContact O-N 3.06Å; L107-V114 HydrophobicContact CB-CG1 4.3Å; L107-V114 HydrophobicContact CD1-CG1 3.65Å; L107-V127 HydrophobicContact CD1-CG1 4.4Å; L107-V135 HydrophobicContact CD2-CB 4.23Å; L107-V135 HydrophobicContact CD2-CG1 4.14Å; L107-V135 HydrophobicContact CD2-CG2 4.02Å; L107-T138 HydrophobicContact CD2-CG2 4.21Å; L107-L139 HydrophobicContact CD1-CD1 4.32Å; L107-L139 HydrophobicContact CD2-CD1 4.09Å; L107-L139 HydrophobicContact CD2-CD2 4.38Å; L107-L139 HydrophobicContact CD2-CG 4.12Å; L107-L139 HydrophobicContact CG-CD1 4.3Å; L107-L139 HydrophobicContact CG-CD2 4.35Å
108A94.8Very high94.1Very high8 Ų827.2 Ų27.27%0.06614%0.137CC..Hα-helixtrans-62.3-39.5175.100000112.4I104 A105 Q110 N111 A283I104-A108 WeakPolarHBondContact O-CB 3.35Å; I104-A108 PolarHBondContact O-N 3.44Å; A105-A108 PolarHBondContact O-N 3.02Å; A108-Q110 PolarHBondContact O-N 2.93Å; A108-N111 PolarHBondContact O-N 3.5Å; A108-A283 HydrophobicContact CB-CB 3.83Å
109D92.9Very high94.5Very high38 Ų3821.6 Ų21.620%0.20311%0.113CC..Hα-helixtrans-59.7-30.4175.2-83.3-36.3000113.4A105 P106 L107 N111 V171 R173A105-D109 PolarHBondContact O-N 3.3Å; P106-D109 PolarHBondContact O-N 2.94Å; L107-D109 VanDerWaalsContact C-N 3.35Å; L107-D109 PolarHBondContact O-N 3.12Å; D109-N111 VanDerWaalsContact C-N 3.34Å; D109-V171 WeakPolarHBondContact OD1-CG2 3.33Å; D109-R173 IonicContact OD1-CZ 3.09Å; D109-R173 IonicContact OD1-NH2 3.75Å; D109-R173 PolarHBondContact OD1-NH2 3.4Å; D109-R173 IonicContact OD2-NH2 2.65Å; D109-R173 PolarHBondContact OD2-NH2 2.92Å; D109-R173 VanDerWaalsContact OD2-NH2 3.09Å
110Q92Very high94.6Very high34 Ų3424.4 Ų24.416%0.15912%0.123CC..THydrogen-bonded Turntrans-93.911.1176.4-60.5-54.9-4700113.2P106 L107 A108 I112 T138 F165 V166P106-Q110 PolarHBondContact O-N 3.45Å; L107-Q110 CarbonylContact O-C 3.57Å; L107-Q110 PolarHBondContact O-N 2.86Å; A108-Q110 PolarHBondContact O-N 2.93Å; Q110-I112 VanDerWaalsContact C-N 3.26Å; Q110-I112 HydrophobicContact CB-CD1 3.92Å; Q110-I112 HydrophobicContact CB-CG1 4.09Å; Q110-I112 PolarHBondContact O-N 3.5Å; Q110-T138 HydrophobicContact CG-CG2 3.8Å; Q110-T138 WeakPolarHBondContact CG-OG1 3.42Å; Q110-F165 HydrophobicContact CG-CD1 4.48Å; Q110-V166 PolarHBondContact NE2-O 2.89Å; Q110-V166 VanDerWaalsContact OE1-N 3.17Å; Q110-V166 PolarHBondContact OE1-O 3.33Å
111N93.2Very high94.5Very high111 Ų11127.3 Ų27.359%0.59414%0.137SC*.THydrogen-bonded Turntrans53.443.7-176.1-55.6-72.8000112.4L107 A108 D109 C279L107-N111 PolarHBondContact O-N 3.18Å; A108-N111 PolarHBondContact O-N 3.5Å; D109-N111 VanDerWaalsContact C-N 3.34Å; N111-C279 HydrophobicContact CB-CB 4.41Å; N111-C279 PolarHBondContact O-SG 3.41Å
112I95.3Very high94.6Very high8 Ų820.8 Ų20.84%0.04111%0.11CC..  trans-98.4118.2173-58.7168.2000107.7L107 Q110 D131 F134 V135L107-I112 HydrophobicContact CB-CB 4.17Å; L107-I112 HydrophobicContact CD2-CB 4.32Å; L107-I112 HydrophobicContact CD2-CD1 3.67Å; L107-I112 HydrophobicContact CD2-CG2 4.31Å; L107-I112 WeakPolarHBondContact O-CB 3.33Å; L107-I112 PolarHBondContact O-N 3.06Å; Q110-I112 VanDerWaalsContact C-N 3.26Å; Q110-I112 HydrophobicContact CB-CD1 3.92Å; Q110-I112 HydrophobicContact CB-CG1 4.09Å; Q110-I112 PolarHBondContact O-N 3.5Å; I112-D131 HydrophobicContact CG2-CB 4.4Å; I112-F134 HydrophobicContact CD1-CB 3.8Å; I112-F134 HydrophobicContact CG1-CB 4.39Å; I112-V135 HydrophobicContact CD1-CG2 4.2Å; I112-V135 HydrophobicContact CG2-CG2 3.84Å
113S96Very high94.7Very high5 Ų520 Ų204%0.03510%0.104CC..  trans-72139.7175.1-179.80000110.3F276 C279S113-F276 WeakPolarHBondContact CB-O 3.3Å; S113-F276 PolarHBondContact OG-O 3.14Å; S113-C279 PolarHBondContact N-SG 3.13Å; S113-C279 VanDerWaalsContact N-SG 3.42Å
114V97.8Very high94.7Very high21 Ų2120.6 Ų20.613%0.12711%0.107CC..  trans-128.8147.1178.1-59.90000109.4L107 I125 L126 V127 V282L107-V114 HydrophobicContact CB-CG1 4.3Å; L107-V114 HydrophobicContact CD1-CG1 3.65Å; V114-I125 HydrophobicContact CB-CG2 3.98Å; V114-I125 HydrophobicContact CG1-CG2 3.89Å; V114-L126 WeakPolarHBondContact CA-O 3.46Å; V114-V127 HydrophobicContact CG1-CG1 4.2Å; V114-V282 HydrophobicContact CG2-CB 4.2Å; V114-V282 HydrophobicContact CG2-CG2 3.87Å
115F97.9Very high94.9Very high10 Ų1020.6 Ų20.64%0.04411%0.107CC..EExtended strand (participates in β ladder)trans-121.1125.6173.6-167-82.3000108.3V12 I54 W76 L126 F276 S300 T301V12-F115 HydrophobicContact CG1-CE1 4.31Å; V12-F115 HydrophobicContact CG1-CE2 4.3Å; V12-F115 HydrophobicContact CG1-CZ 3.93Å; I54-F115 HydrophobicContact CD1-CD1 4.32Å; I54-F115 HydrophobicContact CD1-CE1 3.73Å; I54-F115 HydrophobicContact CG1-CE1 4.33Å; W76-F115 HydrophobicContact CE3-CB 4.21Å; W76-F115 HydrophobicContact CH2-CB 4.2Å; W76-F115 HydrophobicContact CZ3-CB 3.85Å; F115-L126 HydrophobicContact CB-CB 4.03Å; F115-L126 HydrophobicContact CD1-CD2 4.29Å; F115-L126 PolarHBondContact N-O 2.8Å; F115-L126 WeakPolarHBondContact O-CA 3.45Å; F115-L126 VanDerWaalsContact O-CB 3.28Å; F115-L126 WeakPolarHBondContact O-CB 3.4Å; F115-L126 PolarHBondContact O-N 3.17Å; F115-F276 HydrophobicContact CD2-CD1 4.06Å; F115-F276 AromaticContact CD2-CE1 3.91Å; F115-F276 HydrophobicContact CD2-CE1 3.91Å; F115-F276 HydrophobicContact CE2-CD1 4.25Å; F115-F276 AromaticContact CE2-CE1 3.67Å; F115-F276 HydrophobicContact CE2-CE1 3.67Å; F115-S300 VanDerWaalsContact CE1-CB 3.49Å; F115-S300 WeakPolarHBondContact CE1-O 3.49Å; F115-S300 VanDerWaalsContact CZ-CB 3.46Å; F115-S300 WeakPolarHBondContact CZ-O 3.21Å; F115-T301 WeakPolarHBondContact CE2-O 3.38Å
116M97.6Very high95Very high0 Ų020.3 Ų20.30%011%0.105CC..EExtended strand (participates in β ladder)trans-103.1137.4-168.4-67.8-60.1-65.800112.1V96 I99 I104 D123 I125 V282 Y298 S300V96-M116 HydrophobicContact CB-CE 4.22Å; V96-M116 HydrophobicContact CG1-CE 3.38Å; I99-M116 HydrophobicContact CD1-CE 4.09Å; I104-M116 HydrophobicContact CD1-CE 4.19Å; I104-M116 HydrophobicContact CD1-SD 3.81Å; M116-D123 HydrophobicContact CE-CB 4.5Å; M116-I125 HydrophobicContact CE-CG1 3.97Å; M116-I125 HydrophobicContact SD-CB 4.11Å; M116-I125 HydrophobicContact SD-CG1 3.88Å; M116-I125 HydrophobicContact SD-CG2 3.94Å; M116-V282 HydrophobicContact CG-CB 4.39Å; M116-V282 HydrophobicContact CG-CG1 3.77Å; M116-V282 HydrophobicContact CG-CG2 3.77Å; M116-Y298 HydrophobicContact CB-CD1 3.71Å; M116-Y298 HydrophobicContact CB-CG 4.3Å; M116-Y298 HydrophobicContact CG-CD1 4.15Å; M116-S300 PolarHBondContact N-OG 3.17Å; M116-S300 VanDerWaalsContact N-OG 3.14Å; M116-S300 WeakPolarHBondContact O-CB 3.27Å; M116-S300 PolarHBondContact O-N 3.2Å
117L97.8Very high95.2Very high0 Ų018.9 Ų18.90%010%0.096CC..EExtended strand (participates in β ladder)trans-133.794.6167.8179.268.9000109.5F41 I54 T119 F124 I234 I299F41-L117 HydrophobicContact CE1-CD2 3.86Å; F41-L117 HydrophobicContact CZ-CD2 3.93Å; I54-L117 HydrophobicContact CD1-CB 4.25Å; I54-L117 HydrophobicContact CD1-CD1 4.23Å; I54-L117 HydrophobicContact CD1-CD2 4.08Å; I54-L117 HydrophobicContact CD1-CG 4.42Å; L117-T119 HydrophobicContact CG-CG2 4.32Å; L117-F124 HydrophobicContact CB-CB 4.35Å; L117-F124 HydrophobicContact CD2-CD2 4.41Å; L117-F124 PolarHBondContact N-O 3.06Å; L117-F124 PolarHBondContact O-N 3.17Å; L117-I234 HydrophobicContact CD2-CD1 3.79Å; L117-I299 HydrophobicContact CD1-CG2 4.48Å
118S95.9Very high95.3Very high1 Ų120 Ų201%0.00710%0.1CC..EExtended strand (participates in β ladder)trans-78.2131.9168-58.50000110.9V96 D123 Y298V96-S118 WeakPolarHBondContact CG1-OG 3.28Å; S118-D123 WeakPolarHBondContact CB-OD1 3.39Å; S118-D123 PolarHBondContact OG-OD1 2.78Å; S118-Y298 VanDerWaalsContact CB-N 3.35Å; S118-Y298 WeakPolarHBondContact CB-O 3.44Å; S118-Y298 PolarHBondContact N-O 3.12Å; S118-Y298 PolarHBondContact OG-N 2.96Å; S118-Y298 PolarHBondContact OG-O 3.4Å; S118-Y298 VanDerWaalsContact OG-O 3.12Å
119T94.6Very high95.4Very high3 Ų322.7 Ų22.72%0.01811%0.111CC..  trans-117.6169.7173.865.90000109.7L117 Q121 T122 F124 I234 S239 Y297L117-T119 HydrophobicContact CG-CG2 4.32Å; T119-Q121 PolarHBondContact O-N 3.37Å; T119-Q121 PolarHBondContact OG1-N 2.86Å; T119-T122 PolarHBondContact N-O 3.37Å; T119-T122 PolarHBondContact OG1-N 3.28Å; T119-T122 PolarHBondContact OG1-O 2.91Å; T119-F124 HydrophobicContact CG2-CD2 3.99Å; T119-F124 HydrophobicContact CG2-CE2 3.76Å; T119-I234 HydrophobicContact CG2-CD1 4.14Å; T119-S239 WeakPolarHBondContact CA-OG 3.49Å; T119-Y297 VanDerWaalsContact O-CE1 3.31Å; T119-Y297 WeakPolarHBondContact O-CE1 3.48Å
120Y92.3Very high95.5Very high64 Ų6428.2 Ų28.225%0.25113%0.129SC..SBendtrans-55.1-34.3172.8-176.6-90.1000112.4V188 S239Y120-V188 HydrophobicContact CD2-CG1 4.25Å; Y120-S239 PolarHBondContact N-OG 2.79Å
121Q89.6Confident95.7Very high61 Ų6127.7 Ų27.729%0.28513%0.127SC..SBendtrans-87.1-42.1-174.4-63.476.32100113T119 S190 Y237 I238T119-Q121 PolarHBondContact O-N 3.37Å; T119-Q121 PolarHBondContact OG1-N 2.86Å; Q121-S190 PolarHBondContact NE2-OG 2.78Å; Q121-Y237 HydrophobicContact CG-CD1 4.06Å; Q121-Y237 HydrophobicContact CG-CG 4.17Å; Q121-I238 PolarHBondContact NE2-O 3.26Å
122T91.8Very high95.8Very high16 Ų1623.6 Ų23.610%0.09811%0.105CC..  trans-161169.3-176.1-161.70000113N80 T119 F124N80-T122 PolarHBondContact OD1-OG1 3.25Å; T119-T122 PolarHBondContact N-O 3.37Å; T119-T122 PolarHBondContact OG1-N 3.28Å; T119-T122 PolarHBondContact OG1-O 2.91Å; T122-F124 HydrophobicContact CG2-CD1 4.36Å; T122-F124 HydrophobicContact CG2-CD2 4.21Å; T122-F124 HydrophobicContact CG2-CE1 3.86Å; T122-F124 HydrophobicContact CG2-CE2 3.67Å; T122-F124 HydrophobicContact CG2-CZ 3.48Å; T122-F124 VanDerWaalsContact CG2-CZ 3.48Å
123D93.8Very high95.7Very high3 Ų324.5 Ų24.52%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-94.2125.3168.9-63.1-53.6000110.8G95 V96 I99 M116 S118G95-D123 VanDerWaalsContact CA-OD2 3.24Å; G95-D123 WeakPolarHBondContact CA-OD2 3.3Å; G95-D123 PolarHBondContact N-OD2 2.77Å; V96-D123 PolarHBondContact N-OD2 2.87Å; V96-D123 VanDerWaalsContact N-OD2 3.12Å; I99-D123 HydrophobicContact CD1-CB 4.28Å; M116-D123 HydrophobicContact CE-CB 4.5Å; S118-D123 WeakPolarHBondContact CB-OD1 3.39Å; S118-D123 PolarHBondContact OG-OD1 2.78Å
124F96.9Very high95.6Very high13 Ų1327.8 Ų27.86%0.05713%0.125CC..EExtended strand (participates in β ladder)trans-98.2126.3168.3-60.4-78.3000110.2L6 F41 A78 L117 T119 T122 L126 I234L6-F124 HydrophobicContact CD1-CD1 3.92Å; L6-F124 HydrophobicContact CD1-CE1 3.65Å; F41-F124 AromaticContact CE2-CD1 3.91Å; F41-F124 HydrophobicContact CE2-CD1 3.91Å; F41-F124 HydrophobicContact CE2-CD2 4.32Å; F41-F124 HydrophobicContact CE2-CE1 4.02Å; F41-F124 HydrophobicContact CE2-CE2 4.44Å; F41-F124 HydrophobicContact CE2-CG 4.06Å; F41-F124 HydrophobicContact CE2-CZ 4.29Å; F41-F124 HydrophobicContact CZ-CB 4.39Å; F41-F124 HydrophobicContact CZ-CD1 4.35Å; F41-F124 HydrophobicContact CZ-CD2 4.14Å; F41-F124 HydrophobicContact CZ-CG 4.03Å; A78-F124 HydrophobicContact CB-CD1 4.22Å; L117-F124 HydrophobicContact CB-CB 4.35Å; L117-F124 HydrophobicContact CD2-CD2 4.41Å; L117-F124 PolarHBondContact N-O 3.06Å; L117-F124 PolarHBondContact O-N 3.17Å; T119-F124 HydrophobicContact CG2-CD2 3.99Å; T119-F124 HydrophobicContact CG2-CE2 3.76Å; T122-F124 HydrophobicContact CG2-CD1 4.36Å; T122-F124 HydrophobicContact CG2-CD2 4.21Å; T122-F124 HydrophobicContact CG2-CE1 3.86Å; T122-F124 HydrophobicContact CG2-CE2 3.67Å; T122-F124 HydrophobicContact CG2-CZ 3.48Å; T122-F124 VanDerWaalsContact CG2-CZ 3.48Å; F124-L126 HydrophobicContact CB-CD1 3.86Å; F124-I234 HydrophobicContact CD2-CD1 3.98Å; F124-I234 HydrophobicContact CE1-CG2 4.39Å; F124-I234 HydrophobicContact CE2-CD1 3.53Å; F124-I234 HydrophobicContact CE2-CG2 4.25Å; F124-I234 HydrophobicContact CZ-CB 4.45Å; F124-I234 HydrophobicContact CZ-CD1 4.16Å; F124-I234 HydrophobicContact CZ-CG2 3.76Å
125I97.6Very high95.4Very high1 Ų126.9 Ų26.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-101.2108.5172.3-49.190.5000107.3L79 V81 I99 V103 I104 V114 M116 V127L79-I125 HydrophobicContact CB-CB 4.2Å; L79-I125 HydrophobicContact CB-CD1 4.45Å; L79-I125 WeakPolarHBondContact CB-O 3.36Å; L79-I125 WeakPolarHBondContact CG-O 3.28Å; L79-I125 PolarHBondContact N-O 2.86Å; L79-I125 PolarHBondContact O-N 2.95Å; V81-I125 HydrophobicContact CG2-CD1 4.35Å; I99-I125 HydrophobicContact CD1-CD1 3.68Å; I99-I125 HydrophobicContact CD1-CG1 3.76Å; V103-I125 HydrophobicContact CG1-CG1 4.43Å; I104-I125 HydrophobicContact CD1-CG1 4.32Å; I104-I125 HydrophobicContact CD1-CG2 4.41Å; V114-I125 HydrophobicContact CB-CG2 3.98Å; V114-I125 HydrophobicContact CG1-CG2 3.89Å; M116-I125 HydrophobicContact CE-CG1 3.97Å; M116-I125 HydrophobicContact SD-CB 4.11Å; M116-I125 HydrophobicContact SD-CG1 3.88Å; M116-I125 HydrophobicContact SD-CG2 3.94Å; I125-V127 HydrophobicContact CG2-CG1 4.41Å
126L98.5Very high95.2Very high0 Ų026.9 Ų26.90%012%0.121CC..EExtended strand (participates in β ladder)trans-87.8126.6176.9-7762000109.3L10 V12 I54 W76 L77 A78 V114 F115 F124L10-L126 HydrophobicContact CD1-CD1 4.39Å; L10-L126 HydrophobicContact CD1-CD2 3.79Å; L10-L126 HydrophobicContact CD1-CG 3.93Å; V12-L126 HydrophobicContact CG2-CD2 4.32Å; I54-L126 HydrophobicContact CG2-CD2 3.76Å; W76-L126 HydrophobicContact CB-CB 4.25Å; W76-L126 HydrophobicContact CB-CD2 4.27Å; W76-L126 HydrophobicContact CB-CG 4.45Å; W76-L126 HydrophobicContact CE3-CB 3.95Å; L77-L126 WeakPolarHBondContact O-CA 3.44Å; A78-L126 HydrophobicContact CB-CD1 4.36Å; V114-L126 WeakPolarHBondContact CA-O 3.46Å; F115-L126 HydrophobicContact CB-CB 4.03Å; F115-L126 HydrophobicContact CD1-CD2 4.29Å; F115-L126 PolarHBondContact N-O 2.8Å; F115-L126 WeakPolarHBondContact O-CA 3.45Å; F115-L126 VanDerWaalsContact O-CB 3.28Å; F115-L126 WeakPolarHBondContact O-CB 3.4Å; F115-L126 PolarHBondContact O-N 3.17Å; F124-L126 HydrophobicContact CB-CD1 3.86Å
127V98.1Very high95Very high0 Ų030 Ų300%014%0.135CC..EExtended strand (participates in β ladder)trans-121.2149.9174.1-64.40000109.5W76 L77 L79 L107 V114 I125 E129 V135W76-V127 CarbonylContact C-O 3.57Å; W76-V127 VanDerWaalsContact CA-O 3.3Å; W76-V127 WeakPolarHBondContact CA-O 3.44Å; L77-V127 HydrophobicContact CB-CG2 4.42Å; L77-V127 PolarHBondContact N-O 2.74Å; L77-V127 PolarHBondContact O-N 2.83Å; L79-V127 HydrophobicContact CD1-CG1 3.77Å; L79-V127 HydrophobicContact CD1-CG2 3.95Å; L79-V127 HydrophobicContact CD2-CG2 4.11Å; L79-V127 HydrophobicContact CG-CG1 4.47Å; L79-V127 HydrophobicContact CG-CG2 4.01Å; L107-V127 HydrophobicContact CD1-CG1 4.4Å; V114-V127 HydrophobicContact CG1-CG1 4.2Å; I125-V127 HydrophobicContact CG2-CG1 4.41Å; V127-E129 PolarHBondContact O-N 3.47Å; V127-V135 HydrophobicContact CB-CG2 3.99Å; V127-V135 HydrophobicContact CG1-CG2 3.86Å; V127-V135 HydrophobicContact CG2-CG2 4.14Å
128R97.7Very high94.7Very high22 Ų2230.9 Ų30.98%0.08314%0.141CC..EExtended strand (participates in β ladder)trans-67137175.9-61.1-179.6-68.6-153-6.1109.3A74 W76 R130 D131 L132 D277A74-R128 HydrophobicContact CB-CG 3.87Å; W76-R128 HydrophobicContact CD2-CG 4.22Å; W76-R128 HydrophobicContact CE3-CG 3.95Å; W76-R128 HydrophobicContact CH2-CG 3.83Å; W76-R128 HydrophobicContact CZ2-CG 4.09Å; W76-R128 HydrophobicContact CZ3-CG 3.75Å; R128-R130 HydrophobicContact CB-CG 4.09Å; R128-R130 PolarHBondContact O-N 3.36Å; R128-D131 HydrophobicContact CB-CB 4.43Å; R128-D131 IonicContact CZ-OD2 3.76Å; R128-D131 VanDerWaalsContact CZ-OD2 3.23Å; R128-D131 IonicContact NE-OD2 2.68Å; R128-D131 PolarHBondContact NE-OD2 3.24Å; R128-D131 IonicContact NH2-OD2 3.65Å; R128-D131 PolarHBondContact NH2-OD2 2.97Å; R128-D131 WeakPolarHBondContact O-CA 3.43Å; R128-D131 PolarHBondContact O-N 3.37Å; R128-L132 PolarHBondContact O-N 2.79Å; R128-D277 IonicContact CZ-OD1 3.02Å; R128-D277 IonicContact NH1-OD1 2.73Å; R128-D277 PolarHBondContact NH1-OD1 2.93Å
129E96.7Very high94.6Very high66 Ų6630.9 Ų30.931%0.30814%0.14SC..G310 helixtrans-55.2-38.2-179.5-178.4169.2-145.400111.9R9 T75 L77 V127 D131 L132R9-E129 IonicContact CZ-OE1 3.44Å; R9-E129 IonicContact CZ-OE2 2.77Å; R9-E129 IonicContact NE-OE1 3.15Å; R9-E129 PolarHBondContact NE-OE1 2.75Å; R9-E129 IonicContact NE-OE2 2.67Å; R9-E129 PolarHBondContact NE-OE2 3.04Å; R9-E129 VanDerWaalsContact NE-OE2 3.17Å; R9-E129 IonicContact NH2-OE1 2.75Å; R9-E129 IonicContact NH2-OE2 2.79Å; R9-E129 PolarHBondContact NH2-OE2 2.72Å; T75-E129 PolarHBondContact O-N 2.88Å; L77-E129 HydrophobicContact CD1-CB 4.25Å; L77-E129 HydrophobicContact CD1-CG 4.11Å; L77-E129 HydrophobicContact CG-CB 4.14Å; L77-E129 HydrophobicContact CG-CG 4.35Å; V127-E129 PolarHBondContact O-N 3.47Å; E129-D131 PolarHBondContact O-N 3.37Å; E129-L132 VanDerWaalsContact O-CB 3.27Å; E129-L132 WeakPolarHBondContact O-CB 3.41Å; E129-L132 PolarHBondContact O-N 2.85Å
130R95.3Very high94.5Very high154 Ų15433.4 Ų33.458%0.58116%0.158SC*.G310 helixtrans-63.3-25.4175.870.7-177.4-177.1-164.9-1114.4R128R128-R130 HydrophobicContact CB-CG 4.09Å; R128-R130 PolarHBondContact O-N 3.36Å
131D95.1Very high94.3Very high23 Ų2335 Ų3512%0.12318%0.179CC..G310 helixtrans-92.9-7-177.8-62.9-22.5000112I112 R128 E129 P133 F134 V135I112-D131 HydrophobicContact CG2-CB 4.4Å; R128-D131 HydrophobicContact CB-CB 4.43Å; R128-D131 IonicContact CZ-OD2 3.76Å; R128-D131 VanDerWaalsContact CZ-OD2 3.23Å; R128-D131 IonicContact NE-OD2 2.68Å; R128-D131 PolarHBondContact NE-OD2 3.24Å; R128-D131 IonicContact NH2-OD2 3.65Å; R128-D131 PolarHBondContact NH2-OD2 2.97Å; R128-D131 WeakPolarHBondContact O-CA 3.43Å; R128-D131 PolarHBondContact O-N 3.37Å; E129-D131 PolarHBondContact O-N 3.37Å; D131-P133 VanDerWaalsContact C-N 3.33Å; D131-F134 WeakPolarHBondContact O-CA 3.39Å; D131-F134 WeakPolarHBondContact O-CB 3.34Å; D131-F134 PolarHBondContact O-N 2.78Å; D131-V135 WeakPolarHBondContact O-CG2 3.22Å; D131-V135 PolarHBondContact O-N 2.76Å
132L94.8Very high94.2Very high25 Ų2537.5 Ų37.513%0.13119%0.19CC..Hα-helixtrans-51.2-40.2-179.1-174.767.6000114.4I5 L77 R128 E129 F134 V135 T136I5-L132 HydrophobicContact CD1-CD1 3.86Å; I5-L132 HydrophobicContact CG1-CD1 4.15Å; I5-L132 HydrophobicContact CG2-CD1 4.28Å; L77-L132 HydrophobicContact CD1-CB 4.4Å; L77-L132 HydrophobicContact CD1-CD1 4.2Å; L77-L132 HydrophobicContact CD1-CD2 3.72Å; L77-L132 HydrophobicContact CD1-CG 4.32Å; R128-L132 PolarHBondContact O-N 2.79Å; E129-L132 VanDerWaalsContact O-CB 3.27Å; E129-L132 WeakPolarHBondContact O-CB 3.41Å; E129-L132 PolarHBondContact O-N 2.85Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 2.92Å; L132-V135 PolarHBondContact O-N 2.81Å; L132-T136 HydrophobicContact CD1-CG2 4.12Å; L132-T136 HydrophobicContact CG-CG2 4.22Å; L132-T136 WeakPolarHBondContact O-CG2 3.17Å; L132-T136 PolarHBondContact O-N 2.99Å; L132-T136 PolarHBondContact O-OG1 2.89Å
133P93.4Very high94.2Very high27 Ų2737.1 Ų37.118%0.17519%0.188CC..Hα-helixtrans-61.3-35.1176-22.133.6000113.4D131 T136 H137 L159 I161D131-P133 VanDerWaalsContact C-N 3.33Å; P133-T136 WeakPolarHBondContact CA-OG1 3.11Å; P133-T136 PolarHBondContact O-OG1 3.12Å; P133-H137 PolarHBondContact O-N 2.88Å; P133-L159 HydrophobicContact CB-CB 4.26Å; P133-L159 HydrophobicContact CB-CD1 3.92Å; P133-L159 HydrophobicContact CG-CD1 3.66Å; P133-I161 HydrophobicContact CB-CD1 3.24Å; P133-I161 HydrophobicContact CB-CG1 4.02Å; P133-I161 HydrophobicContact CG-CD1 4.2Å
134F93.4Very high94.2Very high74 Ų7441.1 Ų41.133%0.32521%0.212SC..Hα-helixtrans-75.4-40176.6-60.4-80.3000111.2I112 D131 L132 T138 I161 F165I112-F134 HydrophobicContact CD1-CB 3.8Å; I112-F134 HydrophobicContact CG1-CB 4.39Å; D131-F134 WeakPolarHBondContact O-CA 3.39Å; D131-F134 WeakPolarHBondContact O-CB 3.34Å; D131-F134 PolarHBondContact O-N 2.78Å; L132-F134 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 2.92Å; F134-T138 VanDerWaalsContact O-CB 3.26Å; F134-T138 WeakPolarHBondContact O-CB 3.47Å; F134-T138 PolarHBondContact O-N 3.45Å; F134-T138 PolarHBondContact O-OG1 2.72Å; F134-I161 HydrophobicContact CE1-CG2 4.26Å; F134-I161 HydrophobicContact CZ-CD1 4.45Å; F134-F165 HydrophobicContact CB-CE1 4.22Å; F134-F165 AromaticContact CD1-CE1 3.72Å; F134-F165 HydrophobicContact CD1-CE1 3.72Å; F134-F165 AromaticContact CD1-CZ 3.66Å; F134-F165 HydrophobicContact CD1-CZ 3.66Å; F134-F165 HydrophobicContact CE1-CZ 4.39Å; F134-F165 HydrophobicContact CG-CE1 4.47Å
135V94.9Very high94.1Very high1 Ų141.5 Ų41.51%0.00621%0.214CC..Hα-helixtrans-57.6-51.3174.5171.40000110.8L79 L107 I112 V127 D131 L132 H137 T138 L139L79-V135 HydrophobicContact CD1-CG1 3.73Å; L107-V135 HydrophobicContact CD2-CB 4.23Å; L107-V135 HydrophobicContact CD2-CG1 4.14Å; L107-V135 HydrophobicContact CD2-CG2 4.02Å; I112-V135 HydrophobicContact CD1-CG2 4.2Å; I112-V135 HydrophobicContact CG2-CG2 3.84Å; V127-V135 HydrophobicContact CB-CG2 3.99Å; V127-V135 HydrophobicContact CG1-CG2 3.86Å; V127-V135 HydrophobicContact CG2-CG2 4.14Å; D131-V135 WeakPolarHBondContact O-CG2 3.22Å; D131-V135 PolarHBondContact O-N 2.76Å; L132-V135 PolarHBondContact O-N 2.81Å; V135-H137 PolarHBondContact O-N 2.84Å; V135-T138 PolarHBondContact O-N 3.4Å; V135-L139 HydrophobicContact CG1-CD1 4Å; V135-L139 WeakPolarHBondContact O-CG 3.29Å; V135-L139 PolarHBondContact O-N 2.71Å
136T94.2Very high94Very high10 Ų1042.6 Ų42.66%0.06122%0.22CC..Hα-helixtrans-61.8-46.6-178.149.40000111.6I5 L132 P133 T138 L139 S140 I145I5-T136 HydrophobicContact CD1-CG2 4.06Å; L132-T136 HydrophobicContact CD1-CG2 4.12Å; L132-T136 HydrophobicContact CG-CG2 4.22Å; L132-T136 WeakPolarHBondContact O-CG2 3.17Å; L132-T136 PolarHBondContact O-N 2.99Å; L132-T136 PolarHBondContact O-OG1 2.89Å; P133-T136 WeakPolarHBondContact CA-OG1 3.11Å; P133-T136 PolarHBondContact O-OG1 3.12Å; T136-T138 PolarHBondContact O-N 3.2Å; T136-L139 PolarHBondContact O-N 3.14Å; T136-S140 WeakPolarHBondContact O-CB 3.23Å; T136-S140 PolarHBondContact O-N 3.08Å; T136-I145 HydrophobicContact CG2-CD1 4.31Å; T136-I145 HydrophobicContact CG2-CG2 4.34Å; T136-I145 VanDerWaalsContact O-CD1 3.22Å; T136-I145 WeakPolarHBondContact O-CD1 3.31Å
137H92.1Very high93.8Very high65 Ų6548.2 Ų48.230%0.30124%0.242SC..Hα-helixtrans-57.7-50.3174.2-17890000111.8P133 V135 L139 S140 I161 F165P133-H137 PolarHBondContact O-N 2.88Å; V135-H137 PolarHBondContact O-N 2.84Å; H137-L139 VanDerWaalsContact C-N 3.3Å; H137-L139 PolarHBondContact O-N 2.51Å; H137-S140 PolarHBondContact O-N 2.99Å; H137-S140 PolarHBondContact O-OG 3.05Å; H137-I161 PolarHBondContact CE1-O 2.65Å; H137-I161 PolarHBondContact ND1-O 2.88Å; H137-F165 HydrophobicContact CB-CE1 3.85Å; H137-F165 HydrophobicContact CB-CE2 4.08Å; H137-F165 HydrophobicContact CB-CZ 3.38Å; H137-F165 AromaticContact CD2-CD1 3.53Å; H137-F165 AromaticContact CD2-CD2 3.62Å; H137-F165 AromaticContact CD2-CE1 3.29Å; H137-F165 WeakPolarHBondContact CD2-CE1 3.47Å; H137-F165 AromaticContact CD2-CE2 3.37Å; H137-F165 WeakPolarHBondContact CD2-CE2 3.13Å; H137-F165 AromaticContact CD2-CG 3.7Å; H137-F165 AromaticContact CD2-CZ 3.22Å; H137-F165 WeakPolarHBondContact CD2-CZ 3.24Å; H137-F165 AromaticContact CE1-CE2 3.89Å; H137-F165 AromaticContact CG-CE1 3.74Å; H137-F165 AromaticContact CG-CE2 3.5Å; H137-F165 VanDerWaalsContact CG-CE2 3.5Å; H137-F165 AromaticContact CG-CZ 3.25Å; H137-F165 AromaticContact ND1-CE2 3.82Å; H137-F165 AromaticContact NE2-CD2 3.54Å; H137-F165 AromaticContact NE2-CE2 3.64Å; H137-F165 AromaticContact NE2-CG 3.8Å
138T92.5Very high93.6Very high20 Ų2049 Ų4912%0.12325%0.247CC..Hα-helixtrans-59.6-38.4-175.6-58.50000112.7P106 L107 Q110 F134 V135 T136P106-T138 HydrophobicContact CB-CG2 3.83Å; P106-T138 WeakPolarHBondContact O-CG2 3.41Å; L107-T138 HydrophobicContact CD2-CG2 4.21Å; Q110-T138 HydrophobicContact CG-CG2 3.8Å; Q110-T138 WeakPolarHBondContact CG-OG1 3.42Å; F134-T138 VanDerWaalsContact O-CB 3.26Å; F134-T138 WeakPolarHBondContact O-CB 3.47Å; F134-T138 PolarHBondContact O-N 3.45Å; F134-T138 PolarHBondContact O-OG1 2.72Å; V135-T138 PolarHBondContact O-N 3.4Å; T136-T138 PolarHBondContact O-N 3.2Å
139L93.7Very high93.3Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-98.4-9.3-174.2-58.7178.8000113.7L3 S102 V103 P106 L107 V135 T136 H137 S141 E142 F143 I145L3-L139 HydrophobicContact CD2-CB 4.26Å; L3-L139 HydrophobicContact CD2-CD1 3.57Å; S102-L139 WeakPolarHBondContact O-CD2 3.21Å; V103-L139 HydrophobicContact CG1-CD1 4Å; P106-L139 HydrophobicContact CB-CD2 4.03Å; L107-L139 HydrophobicContact CD1-CD1 4.32Å; L107-L139 HydrophobicContact CD2-CD1 4.09Å; L107-L139 HydrophobicContact CD2-CD2 4.38Å; L107-L139 HydrophobicContact CD2-CG 4.12Å; L107-L139 HydrophobicContact CG-CD1 4.3Å; L107-L139 HydrophobicContact CG-CD2 4.35Å; V135-L139 HydrophobicContact CG1-CD1 4Å; V135-L139 WeakPolarHBondContact O-CG 3.29Å; V135-L139 PolarHBondContact O-N 2.71Å; T136-L139 PolarHBondContact O-N 3.14Å; H137-L139 VanDerWaalsContact C-N 3.3Å; H137-L139 PolarHBondContact O-N 2.51Å; L139-S141 PolarHBondContact O-N 2.9Å; L139-S141 VanDerWaalsContact O-N 3.15Å; L139-E142 PolarHBondContact O-N 2.89Å; L139-E142 VanDerWaalsContact O-N 3.1Å; L139-F143 HydrophobicContact CB-CD2 4.23Å; L139-F143 PolarHBondContact O-N 2.83Å; L139-I145 HydrophobicContact CB-CD1 4.2Å
140S92.1Very high93Very high56 Ų5654.4 Ų54.439%0.39228%0.281SS..THydrogen-bonded Turntrans-63.1-20.3-175.862.50000114.8T136 H137T136-S140 WeakPolarHBondContact O-CB 3.23Å; T136-S140 PolarHBondContact O-N 3.08Å; H137-S140 PolarHBondContact O-N 2.99Å; H137-S140 PolarHBondContact O-OG 3.05Å
141S88.3Confident92.7Very high98 Ų9849.7 Ų49.769%0.68528%0.28SS*.THydrogen-bonded Turntrans-75.8-27.9175.958.80000113.3L139L139-S141 PolarHBondContact O-N 2.9Å; L139-S141 VanDerWaalsContact O-N 3.15Å
142E88.1Confident92.5Very high113 Ų11355.3 Ų55.353%0.52831%0.305SS..THydrogen-bonded Turntrans-104.9-23.3-174.8-63.2-60.4147.800112.7L139L139-E142 PolarHBondContact O-N 2.89Å; L139-E142 VanDerWaalsContact O-N 3.1Å
143F91.8Very high92.4Very high9 Ų957.7 Ų57.74%0.03932%0.321CS..  trans-128.9140.8-172.5-64.4-88.9000113M1 L3 V81 S102 V103 L139 I145M1-F143 HydrophobicContact CB-CD1 3.57Å; M1-F143 HydrophobicContact CB-CE1 3.43Å; M1-F143 VanDerWaalsContact CB-CE1 3.43Å; M1-F143 HydrophobicContact CB-CZ 4.48Å; M1-F143 HydrophobicContact CE-CE1 4.15Å; M1-F143 HydrophobicContact CE-CZ 4.11Å; M1-F143 HydrophobicContact CG-CE1 4.35Å; M1-F143 HydrophobicContact SD-CE1 4.09Å; M1-F143 HydrophobicContact SD-CZ 4.44Å; L3-F143 HydrophobicContact CB-CB 3.82Å; L3-F143 HydrophobicContact CB-CD1 3.98Å; L3-F143 HydrophobicContact CB-CG 3.95Å; V81-F143 HydrophobicContact CG1-CE1 3.79Å; V81-F143 HydrophobicContact CG1-CZ 4.45Å; V81-F143 HydrophobicContact CG2-CE1 4.43Å; S102-F143 WeakPolarHBondContact O-CE2 3.39Å; V103-F143 HydrophobicContact CG2-CE2 3.79Å; V103-F143 HydrophobicContact CG2-CZ 3.72Å; L139-F143 HydrophobicContact CB-CD2 4.23Å; L139-F143 PolarHBondContact O-N 2.83Å; F143-I145 HydrophobicContact CB-CG1 4.26Å; F143-I145 PolarHBondContact O-N 2.94Å
144T93.1Very high92.5Very high87 Ų8759.5 Ų59.553%0.53433%0.332SS..EExtended strand (participates in β ladder)trans-72.5112.3154.4-56.70000107.2M1 E2 L3 L146M1-T144 PolarHBondContact O-N 2.93Å; M1-T144 VanDerWaalsContact O-N 3.14Å; E2-T144 WeakPolarHBondContact CA-O 3.28Å; L3-T144 PolarHBondContact N-O 2.76Å; T144-L146 HydrophobicContact CG2-CD2 4Å; T144-L146 HydrophobicContact CG2-CG 4.31Å
145I94.5Very high92.4Very high20 Ų2059.7 Ų59.710%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-91.7121.9-178.2-50.6-176.2000109.6L3 I5 T136 L139 F143 A156L3-I145 HydrophobicContact CB-CG1 4.47Å; L3-I145 HydrophobicContact CD2-CD1 4.36Å; L3-I145 HydrophobicContact CD2-CG1 4.32Å; L3-I145 HydrophobicContact CD2-CG2 4.38Å; L3-I145 WeakPolarHBondContact O-CA 3.3Å; I5-I145 HydrophobicContact CD1-CG2 3.63Å; I5-I145 HydrophobicContact CG1-CG2 4.1Å; T136-I145 HydrophobicContact CG2-CD1 4.31Å; T136-I145 HydrophobicContact CG2-CG2 4.34Å; T136-I145 VanDerWaalsContact O-CD1 3.22Å; T136-I145 WeakPolarHBondContact O-CD1 3.31Å; L139-I145 HydrophobicContact CB-CD1 4.2Å; F143-I145 HydrophobicContact CB-CG1 4.26Å; F143-I145 PolarHBondContact O-N 2.94Å; I145-A156 HydrophobicContact CB-CB 4.12Å; I145-A156 HydrophobicContact CG2-CB 3.69Å; I145-A156 WeakPolarHBondContact O-CB 3.35Å; I145-A156 PolarHBondContact O-N 3.41Å
146L94.8Very high92Very high25 Ų2560.7 Ų60.713%0.13136%0.355CS..EExtended strand (participates in β ladder)trans-117.2151.3-180-57.1176.9000109.3E2 L3 H4 I5 T144 T153 V154E2-L146 HydrophobicContact CB-CD1 4.44Å; E2-L146 HydrophobicContact CG-CD1 4.25Å; L3-L146 PolarHBondContact O-N 3.3Å; H4-L146 CarbonylContact C-O 3.49Å; H4-L146 WeakPolarHBondContact CA-O 3.5Å; I5-L146 PolarHBondContact N-O 3.07Å; T144-L146 HydrophobicContact CG2-CD2 4Å; T144-L146 HydrophobicContact CG2-CG 4.31Å; L146-T153 HydrophobicContact CB-CG2 3.48Å; L146-T153 VanDerWaalsContact CB-CG2 3.48Å; L146-T153 HydrophobicContact CD1-CG2 3.53Å; L146-T153 HydrophobicContact CD2-CG2 4.47Å; L146-T153 HydrophobicContact CG-CG2 3.99Å; L146-V154 CarbonylContact C-O 3.57Å; L146-V154 VanDerWaalsContact CA-O 3.28Å; L146-V154 WeakPolarHBondContact CA-O 3.45Å
147R95Very high91.3Very high118 Ų11867.8 Ų67.845%0.44539%0.388SS..EExtended strand (participates in β ladder)trans-120.3133.6175.2-173.7176.3-178.5-137.1-0.3108.9I5 V149 V154 A156I5-R147 HydrophobicContact CB-CB 4.45Å; I5-R147 HydrophobicContact CB-CG 4.31Å; I5-R147 HydrophobicContact CG2-CG 4.48Å; I5-R147 WeakPolarHBondContact O-CA 3.26Å; R147-V149 HydrophobicContact CG-CG2 4.03Å; R147-V154 HydrophobicContact CB-CG2 4.32Å; R147-V154 PolarHBondContact N-O 3.45Å; R147-V154 WeakPolarHBondContact O-CG2 3.17Å; R147-V154 PolarHBondContact O-N 3.41Å; R147-A156 HydrophobicContact CB-CB 4.49Å
148V93.7Very high90.1Very high17 Ų1770.7 Ų70.710%0.10341%0.405CS..EExtended strand (participates in β ladder)trans-84.4128.1171-175.40000108.1I5 L6 E7 E152I5-V148 PolarHBondContact O-N 3.15Å; L6-V148 HydrophobicContact CD2-CG2 4.11Å; E7-V148 WeakPolarHBondContact CB-O 3.33Å; E7-V148 HydrophobicContact CG-CG1 4.39Å; V148-E152 CarbonylContact C-O 3.47Å; V148-E152 WeakPolarHBondContact CA-O 3.49Å
149V92.1Very high88.9Confident52 Ų5274 Ų7432%0.31542%0.422SS..EExtended strand (participates in β ladder)trans-137.2116.3177-1780000108.3R147 G151 E152 V154R147-V149 HydrophobicContact CG-CG2 4.03Å; V149-G151 PolarHBondContact O-N 3.32Å; V149-E152 PolarHBondContact N-O 3.02Å; V149-E152 PolarHBondContact O-N 2.8Å; V149-V154 HydrophobicContact CG2-CG2 3.97Å
150N90.1Very high87.4Confident149 Ų14976.8 Ų76.880%0.79745%0.45SS*.THydrogen-bonded Turntrans53.739.5-174.9-56.5-49000112.4E7 E152E7-N150 VanDerWaalsContact OE2-CA 3.26Å; E7-N150 WeakPolarHBondContact OE2-CA 3.37Å; E7-N150 PolarHBondContact OE2-N 3.44Å; N150-E152 PolarHBondContact O-N 3.27Å
151G88.2Confident86.2Confident54 Ų5476.6 Ų76.656%0.55744%0.444SS*.THydrogen-bonded Turntrans73.9-0.5-175.900000116E7 V149E7-G151 PolarHBondContact OE2-N 3.11Å; E7-G151 VanDerWaalsContact OE2-N 3.15Å; V149-G151 PolarHBondContact O-N 3.32Å
152E92.3Very high85Confident141 Ų14177 Ų7766%0.65944%0.443SS*.EExtended strand (participates in β ladder)trans-99.7136.4175-65.7-172.617100111.5V148 V149 N150V148-E152 CarbonylContact C-O 3.47Å; V148-E152 WeakPolarHBondContact CA-O 3.49Å; V149-E152 PolarHBondContact N-O 3.02Å; V149-E152 PolarHBondContact O-N 2.8Å; N150-E152 PolarHBondContact O-N 3.27Å
153T92.6Very high83.6Confident75 Ų7578 Ų7846%0.4645%0.452SS..EExtended strand (participates in β ladder)trans-86.9116.2178.1-50.30000110.6L146L146-T153 HydrophobicContact CB-CG2 3.48Å; L146-T153 VanDerWaalsContact CB-CG2 3.48Å; L146-T153 HydrophobicContact CD1-CG2 3.53Å; L146-T153 HydrophobicContact CD2-CG2 4.47Å; L146-T153 HydrophobicContact CG-CG2 3.99Å
154V94.2Very high82.3Confident66 Ų6681 Ų8140%0.449%0.486SS..EExtended strand (participates in β ladder)trans-117.5160.6176.4-60.60000110.9L146 R147 V149 A156L146-V154 CarbonylContact C-O 3.57Å; L146-V154 VanDerWaalsContact CA-O 3.28Å; L146-V154 WeakPolarHBondContact CA-O 3.45Å; R147-V154 HydrophobicContact CB-CG2 4.32Å; R147-V154 PolarHBondContact N-O 3.45Å; R147-V154 WeakPolarHBondContact O-CG2 3.17Å; R147-V154 PolarHBondContact O-N 3.41Å; V149-V154 HydrophobicContact CG2-CG2 3.97Å; V154-A156 PolarHBondContact O-N 3.34Å
155A91.7Very high81.1Confident78 Ų7879.2 Ų79.265%0.64547%0.471SS*.EExtended strand (participates in β ladder)trans-63.4135.1172.800000110.3E157A155-E157 PolarHBondContact O-N 2.93Å
156A87.6Confident79.7Confident22 Ų2282.3 Ų82.318%0.18249%0.491CS..PPolyproline II helixtrans-68134.2173.500000110I5 I145 R147 V154 N158I5-A156 HydrophobicContact CD1-CB 4Å; I145-A156 HydrophobicContact CB-CB 4.12Å; I145-A156 HydrophobicContact CG2-CB 3.69Å; I145-A156 WeakPolarHBondContact O-CB 3.35Å; I145-A156 PolarHBondContact O-N 3.41Å; R147-A156 HydrophobicContact CB-CB 4.49Å; V154-A156 PolarHBondContact O-N 3.34Å; A156-N158 PolarHBondContact O-N 3.23Å
157E78.4Confident78.3Confident159 Ų15989.7 Ų89.774%0.74352%0.522SS*.PPolyproline II helixtrans-62.3129175-68.5-176.6177.800109.8A155 L159A155-E157 PolarHBondContact O-N 2.93Å; E157-L159 PolarHBondContact O-N 2.95Å; E157-L159 VanDerWaalsContact O-N 3.12Å
158N67.6Low76.6Confident126 Ų12689.3 Ų89.367%0.67453%0.534SS*.  trans-79.697.7175.7-149.5-29.1000107.7A156 G160A156-N158 PolarHBondContact O-N 3.23Å; N158-G160 PolarHBondContact O-N 2.88Å
159L67.8Low75.1Confident90 Ų9096 Ų9647%0.47156%0.562SS.*  trans-68.611.6-171.3-69.7170.6000114.7P133 E157 I161P133-L159 HydrophobicContact CB-CB 4.26Å; P133-L159 HydrophobicContact CB-CD1 3.92Å; P133-L159 HydrophobicContact CG-CD1 3.66Å; E157-L159 PolarHBondContact O-N 2.95Å; E157-L159 VanDerWaalsContact O-N 3.12Å; L159-I161 PolarHBondContact O-N 2.76Å
160G61Low73.7Confident58 Ų58102.5 Ų102.560%0.59859%0.594SS**  trans66.114.8164.500000115.5N158 T162N158-G160 PolarHBondContact O-N 2.88Å; G160-T162 PolarHBondContact O-N 3.06Å
161I66.4Low72.9Confident51 Ų5198.9 Ų98.926%0.26258%0.577SS.*  trans-75119.3176.4-50.3-164.3000108.8P133 F134 H137 L159 F165P133-I161 HydrophobicContact CB-CD1 3.24Å; P133-I161 HydrophobicContact CB-CG1 4.02Å; P133-I161 HydrophobicContact CG-CD1 4.2Å; F134-I161 HydrophobicContact CE1-CG2 4.26Å; F134-I161 HydrophobicContact CZ-CD1 4.45Å; H137-I161 PolarHBondContact CE1-O 2.65Å; H137-I161 PolarHBondContact ND1-O 2.88Å; L159-I161 PolarHBondContact O-N 2.76Å; I161-F165 HydrophobicContact CB-CE2 4.17Å; I161-F165 HydrophobicContact CB-CZ 4.42Å; I161-F165 HydrophobicContact CG2-CE2 3.68Å; I161-F165 HydrophobicContact CG2-CZ 4.12Å; I161-F165 WeakPolarHBondContact O-CE2 3.17Å
162T63.1Low72.4Confident106 Ų106102.7 Ų102.765%0.6558%0.58SS**  trans-118.3-12.7173.861.80000113.1G160G160-T162 PolarHBondContact O-N 3.06Å
163N59.1Low72.1Confident134 Ų13497.5 Ų97.572%0.71756%0.555SS**SBendtrans-108.8137.7-172.2-67.5-16.1000110.8
164G65.7Low71.9Confident74 Ų7495.1 Ų95.176%0.76354%0.541SS*.SBendtrans104.9-7.7177.200000115.4
165F66.3Low71.8Confident48 Ų4892 Ų9221%0.21152%0.522CS..PPolyproline II helixtrans-76.7135.2177.6-63.6-80.6000111.9Q110 F134 H137 I161Q110-F165 HydrophobicContact CG-CD1 4.48Å; F134-F165 HydrophobicContact CB-CE1 4.22Å; F134-F165 AromaticContact CD1-CE1 3.72Å; F134-F165 HydrophobicContact CD1-CE1 3.72Å; F134-F165 AromaticContact CD1-CZ 3.66Å; F134-F165 HydrophobicContact CD1-CZ 3.66Å; F134-F165 HydrophobicContact CE1-CZ 4.39Å; F134-F165 HydrophobicContact CG-CE1 4.47Å; H137-F165 HydrophobicContact CB-CE1 3.85Å; H137-F165 HydrophobicContact CB-CE2 4.08Å; H137-F165 HydrophobicContact CB-CZ 3.38Å; H137-F165 AromaticContact CD2-CD1 3.53Å; H137-F165 AromaticContact CD2-CD2 3.62Å; H137-F165 AromaticContact CD2-CE1 3.29Å; H137-F165 WeakPolarHBondContact CD2-CE1 3.47Å; H137-F165 AromaticContact CD2-CE2 3.37Å; H137-F165 WeakPolarHBondContact CD2-CE2 3.13Å; H137-F165 AromaticContact CD2-CG 3.7Å; H137-F165 AromaticContact CD2-CZ 3.22Å; H137-F165 WeakPolarHBondContact CD2-CZ 3.24Å; H137-F165 AromaticContact CE1-CE2 3.89Å; H137-F165 AromaticContact CG-CE1 3.74Å; H137-F165 AromaticContact CG-CE2 3.5Å; H137-F165 VanDerWaalsContact CG-CE2 3.5Å; H137-F165 AromaticContact CG-CZ 3.25Å; H137-F165 AromaticContact ND1-CE2 3.82Å; H137-F165 AromaticContact NE2-CD2 3.54Å; H137-F165 AromaticContact NE2-CE2 3.64Å; H137-F165 AromaticContact NE2-CG 3.8Å; I161-F165 HydrophobicContact CB-CE2 4.17Å; I161-F165 HydrophobicContact CB-CZ 4.42Å; I161-F165 HydrophobicContact CG2-CE2 3.68Å; I161-F165 HydrophobicContact CG2-CZ 4.12Å; I161-F165 WeakPolarHBondContact O-CE2 3.17Å
166V66.5Low71.8Confident86 Ų8692.1 Ų92.152%0.52151%0.511SS..PPolyproline II helixtrans-83.8135.9170.9-175.20000107.3Q110Q110-V166 PolarHBondContact NE2-O 2.89Å; Q110-V166 VanDerWaalsContact OE1-N 3.17Å; Q110-V166 PolarHBondContact OE1-O 3.33Å
167K65.4Low72Confident180 Ų18092.7 Ų92.778%0.78351%0.509SS*.PPolyproline II helixtrans-54.9135.9172.8-82.1-175.5176.9-179.40109.4K169K167-K169 PolarHBondContact O-N 3.37Å
168P59.6Low72.8Confident110 Ų11088.6 Ų88.671%0.71450%0.497SS*.PPolyproline II helixtrans-54.2116.9173.8-17.527.2000108.2
169K61.7Low74.1Confident156 Ų15685 Ų8568%0.67848%0.478SS*.  trans-107.4143.5162.9-71.8-174.3179.4179.30105.4K167 V171K167-K169 PolarHBondContact O-N 3.37Å; K169-V171 VanDerWaalsContact C-N 3.32Å; K169-V171 HydrophobicContact CB-CG2 4.43Å; K169-V171 WeakPolarHBondContact O-CG2 3.33Å; K169-V171 PolarHBondContact O-N 2.8Å
170L62.1Low75.3Confident190 Ų19083.8 Ų83.8100%0.99548%0.476SS*.  trans-60.4104.1163.9-121.499.8000106.4
171V72.6Confident76.9Confident72 Ų7284.1 Ų84.144%0.43647%0.469SS..  trans-93.9118.1177.4-178.30000107.2D109 K169 R173D109-V171 WeakPolarHBondContact OD1-CG2 3.33Å; K169-V171 VanDerWaalsContact C-N 3.32Å; K169-V171 HydrophobicContact CB-CG2 4.43Å; K169-V171 WeakPolarHBondContact O-CG2 3.33Å; K169-V171 PolarHBondContact O-N 2.8Å; V171-R173 HydrophobicContact CB-CG 4.42Å; V171-R173 HydrophobicContact CG1-CG 3.97Å; V171-R173 PolarHBondContact O-N 2.96Å
172Q78Confident78.2Confident134 Ų13482.1 Ų82.163%0.62646%0.46SS*.  trans-66.1124.2163.4-75.5-176.4-56.300108.2P174 E327Q172-P174 WeakPolarHBondContact O-CD 3.43Å; Q172-E327 PolarHBondContact NE2-OE2 2.96Å
173R87Confident79.7Confident32 Ų3279.4 Ų79.412%0.12145%0.445CS..  trans-116.682.5179.4-61.9-174.7-160.587.4-3.6108.7A105 D109 V171 Q284 E287 S324A105-R173 PolarHBondContact O-NH2 2.97Å; D109-R173 IonicContact OD1-CZ 3.09Å; D109-R173 IonicContact OD1-NH2 3.75Å; D109-R173 PolarHBondContact OD1-NH2 3.4Å; D109-R173 IonicContact OD2-NH2 2.65Å; D109-R173 PolarHBondContact OD2-NH2 2.92Å; D109-R173 VanDerWaalsContact OD2-NH2 3.09Å; V171-R173 HydrophobicContact CB-CG 4.42Å; V171-R173 HydrophobicContact CG1-CG 3.97Å; V171-R173 PolarHBondContact O-N 2.96Å; R173-Q284 HydrophobicContact CB-CG 3.95Å; R173-E287 IonicContact CZ-OE2 2.86Å; R173-E287 IonicContact NH1-OE1 3.7Å; R173-E287 PolarHBondContact NH1-OE1 3.21Å; R173-E287 IonicContact NH1-OE2 3.67Å; R173-E287 PolarHBondContact NH1-OE2 3.02Å; R173-S324 PolarHBondContact O-OG 2.79Å
174P89.1Confident81.5Confident25 Ų2573.1 Ų73.116%0.16241%0.411CS..  trans-64.1145175.728.4-34.5000109.5Q172 I176 Q284 S324 K328Q172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-I176 HydrophobicContact CG-CG2 4.42Å; P174-I176 WeakPolarHBondContact O-CG2 3.33Å; P174-I176 PolarHBondContact O-N 2.67Å; P174-I176 VanDerWaalsContact O-N 3.09Å; P174-Q284 PolarHBondContact O-OE1 2.87Å; P174-S324 VanDerWaalsContact CA-O 3.24Å; P174-S324 WeakPolarHBondContact CA-O 3.27Å; P174-S324 WeakPolarHBondContact CB-O 3.39Å; P174-K328 HydrophobicContact CB-CG 3.85Å; P174-K328 HydrophobicContact CG-CG 4Å
175V90.4Very high82.9Confident1 Ų174.9 Ų74.91%0.00640%0.395CS..  trans-61.2115.3170.81760000109.1H177 L179 Q284 I285 L321 S324 Q325V175-H177 WeakPolarHBondContact CG1-O 3.46Å; V175-L179 HydrophobicContact CG1-CD1 4.05Å; V175-L179 HydrophobicContact CG1-CD2 4.01Å; V175-L179 HydrophobicContact CG1-CG 4.04Å; V175-Q284 HydrophobicContact CG2-CB 4.24Å; V175-Q284 VanDerWaalsContact CG2-O 3.28Å; V175-Q284 WeakPolarHBondContact CG2-O 3.5Å; V175-I285 HydrophobicContact CG1-CD1 4.3Å; V175-I285 HydrophobicContact CG2-CD1 3.98Å; V175-L321 HydrophobicContact CG2-CD2 4.2Å; V175-S324 PolarHBondContact N-OG 3.44Å; V175-Q325 HydrophobicContact CB-CG 3.75Å; V175-Q325 HydrophobicContact CG1-CG 4.19Å
176I91.7Very high84.4Confident81 Ų8172.6 Ų72.642%0.41539%0.385SS..  trans-98.3-26-178.167.9178.7000113.7P174P174-I176 HydrophobicContact CG-CG2 4.42Å; P174-I176 WeakPolarHBondContact O-CG2 3.33Å; P174-I176 PolarHBondContact O-N 2.67Å; P174-I176 VanDerWaalsContact O-N 3.09Å
177H93.4Very high85.7Confident33 Ų3368.6 Ų68.615%0.15336%0.361CS..SBendtrans-84.4148.5-179.8-69.1-67.3000112.3V175 I269 E278V175-H177 WeakPolarHBondContact CG1-O 3.46Å; H177-I269 HydrophobicContact CB-CG2 3.83Å; H177-E278 IonicContact CD2-OE1 3.66Å; H177-E278 IonicContact CE1-OE1 3.56Å; H177-E278 IonicContact CE1-OE2 3.51Å; H177-E278 PolarHBondContact CE1-OE2 3.21Å; H177-E278 IonicContact NE2-OE1 2.75Å; H177-E278 PolarHBondContact NE2-OE1 3.15Å; H177-E278 IonicContact NE2-OE2 2.68Å; H177-E278 PolarHBondContact NE2-OE2 2.72Å
178P93.8Very high87.1Confident73 Ų7360.3 Ų60.347%0.47433%0.325SS..  trans-65144.3172.530.5-35.4000109.9G270 G271P178-G270 PolarHBondContact O-N 3.24Å; P178-G271 VanDerWaalsContact CG-N 3.25Å
179L95.1Very high88.7Confident52 Ų5255.1 Ų55.127%0.27229%0.291SS..EExtended strand (participates in β ladder)trans-112.5140.8177.8-55.7-179.7000109.1V175 V267 R268 I269 I285 L321V175-L179 HydrophobicContact CG1-CD1 4.05Å; V175-L179 HydrophobicContact CG1-CD2 4.01Å; V175-L179 HydrophobicContact CG1-CG 4.04Å; L179-V267 HydrophobicContact CB-CG1 4.25Å; L179-V267 HydrophobicContact CD1-CG1 4.33Å; L179-V267 HydrophobicContact CD2-CG1 4.15Å; L179-V267 HydrophobicContact CG-CG1 4.49Å; L179-R268 WeakPolarHBondContact CA-O 3.48Å; L179-I269 HydrophobicContact CD2-CB 4.2Å; L179-I269 HydrophobicContact CD2-CG1 3.65Å; L179-I269 HydrophobicContact CD2-CG2 4.14Å; L179-I285 HydrophobicContact CD2-CD1 3.92Å; L179-L321 HydrophobicContact CD1-CB 3.98Å; L179-L321 HydrophobicContact CD1-CD1 3.71Å; L179-L321 HydrophobicContact CD1-CG 4.4Å
180S93.4Very high90.3Very high63 Ų6348.2 Ų48.244%0.44126%0.263SS..EExtended strand (participates in β ladder)trans-134.8153170.660.80000110.1R268S180-R268 PolarHBondContact N-O 3.4Å; S180-R268 PolarHBondContact O-N 2.87Å
181S94.2Very high91.8Very high65 Ų6539.3 Ų39.346%0.45522%0.216SC..  trans-129.1115.8175.6171.50000108.5M266S181-M266 VanDerWaalsContact CA-O 3.31Å; S181-M266 WeakPolarHBondContact CA-O 2.82Å; S181-M266 WeakPolarHBondContact CB-O 3.34Å; S181-M266 PolarHBondContact OG-O 3.49Å; S181-M266 VanDerWaalsContact OG-O 3.12Å
182P94.6Very high92.7Very high9 Ų938.8 Ų38.86%0.05821%0.211CC..  trans-67.2164.6171.632.2-38.4000111.6N184 F186 G224 I226 K265 M266P182-N184 VanDerWaalsContact C-N 3.32Å; P182-F186 HydrophobicContact CG-CE2 4.23Å; P182-G224 CarbonylContact C-O 3.55Å; P182-G224 WeakPolarHBondContact CA-O 2.84Å; P182-G224 VanDerWaalsContact CB-O 3.27Å; P182-G224 WeakPolarHBondContact CB-O 3.26Å; P182-I226 HydrophobicContact CB-CB 4.29Å; P182-I226 HydrophobicContact CB-CD1 3.95Å; P182-I226 HydrophobicContact CB-CG1 3.65Å; P182-I226 HydrophobicContact CB-CG2 3.95Å; P182-I226 HydrophobicContact CG-CD1 3.72Å; P182-I226 HydrophobicContact CG-CG1 3.82Å; P182-K265 PolarHBondContact O-NZ 3.42Å; P182-M266 WeakPolarHBondContact CD-O 3.26Å; P182-M266 HydrophobicContact CG-CB 3.94Å; P182-M266 HydrophobicContact CG-CG 4.44Å; P182-M266 HydrophobicContact CG-SD 4.17Å
183S94.7Very high93.3Very high49 Ų4935 Ų3534%0.34320%0.198SC..SBendtrans-76.8-16.817649.50000113.4G224 H225 K265S183-G224 PolarHBondContact N-O 2.77Å; S183-G224 WeakPolarHBondContact OG-CA 3.47Å; S183-G224 PolarHBondContact OG-O 2.89Å; S183-H225 PolarHBondContact OG-CE1 3.16Å; S183-H225 PolarHBondContact OG-N 2.89Å; S183-H225 PolarHBondContact OG-ND1 2.94Å; S183-K265 PolarHBondContact O-NZ 3.09Å
184N95.6Very high93.4Very high2 Ų240.3 Ų40.31%0.01123%0.229CC..  trans-48.4148.1176.2-58.265.9000112P182 F186 H225 I226 D243 K265P182-N184 VanDerWaalsContact C-N 3.32Å; N184-F186 HydrophobicContact CB-CD2 4.06Å; N184-F186 HydrophobicContact CB-CE1 4.09Å; N184-F186 HydrophobicContact CB-CE2 3.37Å; N184-F186 HydrophobicContact CB-CZ 3.38Å; N184-H225 WeakPolarHBondContact OD1-CA 3.35Å; N184-I226 PolarHBondContact ND2-O 2.77Å; N184-I226 PolarHBondContact OD1-N 2.78Å; N184-I226 PolarHBondContact OD1-O 3.31Å; N184-D243 HydrophobicContact CB-CB 4.42Å; N184-K265 PolarHBondContact O-NZ 2.76Å
185R96.2Very high93.6Very high111 Ų11140.7 Ų40.742%0.41923%0.231SC..  trans-111.5130.2163-63179.1-63170.6-0.3107.1D243 V244 L263 K265 E311R185-D243 CarbonylContact O-C 3.55Å; R185-D243 VanDerWaalsContact O-CA 3.27Å; R185-D243 WeakPolarHBondContact O-CA 3.44Å; R185-V244 HydrophobicContact CB-CG2 4Å; R185-V244 WeakPolarHBondContact O-CG2 3.34Å; R185-V244 PolarHBondContact O-N 2.73Å; R185-L263 HydrophobicContact CB-CD1 4.31Å; R185-K265 HydrophobicContact CG-CD 4.41Å; R185-E311 WeakPolarHBondContact CD-OE1 3.42Å; R185-E311 WeakPolarHBondContact CG-OE1 3.28Å
186F96.5Very high93.7Very high0 Ų041.4 Ų41.40%024%0.235CC..EExtended strand (participates in β ladder)trans-109156.9-173.4-66.3-81.3000111.4P182 N184 F228 M242 D243 W264 M266 L308P182-F186 HydrophobicContact CG-CE2 4.23Å; N184-F186 HydrophobicContact CB-CD2 4.06Å; N184-F186 HydrophobicContact CB-CE1 4.09Å; N184-F186 HydrophobicContact CB-CE2 3.37Å; N184-F186 HydrophobicContact CB-CZ 3.38Å; F186-F228 HydrophobicContact CE1-CB 3.83Å; F186-F228 HydrophobicContact CE1-CD1 4.15Å; F186-F228 HydrophobicContact CE1-CG 4.36Å; F186-F228 HydrophobicContact CZ-CB 4.03Å; F186-M242 CarbonylContact C-O 3.52Å; F186-M242 WeakPolarHBondContact CA-O 3.34Å; F186-D243 HydrophobicContact CD1-CB 4.26Å; F186-D243 HydrophobicContact CE1-CB 4.18Å; F186-W264 HydrophobicContact CB-CB 4.18Å; F186-W264 PolarHBondContact N-O 2.9Å; F186-W264 PolarHBondContact O-N 3.13Å; F186-M266 HydrophobicContact CD2-CB 4.01Å; F186-M266 HydrophobicContact CD2-CE 4.34Å; F186-M266 HydrophobicContact CE1-CE 4.13Å; F186-M266 HydrophobicContact CE2-CB 3.61Å; F186-M266 HydrophobicContact CE2-CE 3.72Å; F186-M266 HydrophobicContact CE2-SD 4.29Å; F186-M266 HydrophobicContact CZ-CE 3.61Å; F186-M266 HydrophobicContact CZ-SD 4.37Å; F186-L308 HydrophobicContact CB-CD2 3.91Å; F186-L308 HydrophobicContact CD2-CD2 3.73Å; F186-L308 HydrophobicContact CE2-CD2 4.47Å; F186-L308 HydrophobicContact CG-CD2 3.91Å
187C94.8Very high93.7Very high2 Ų242.5 Ų42.51%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-123.6144.7168.762.40000109.1T189 V241 M242 Q247C187-T189 HydrophobicContact CB-CG2 4.07Å; C187-V241 WeakPolarHBondContact O-CA 3.46Å; C187-M242 PolarHBondContact N-O 3.43Å; C187-M242 PolarHBondContact O-N 3.27Å; C187-M242 VanDerWaalsContact SG-CG 3.55Å; C187-M242 PolarHBondContact SG-O 3.01Å; C187-Q247 PolarHBondContact SG-OE1 2.8Å
188V94.4Very high93.8Very high7 Ų744.5 Ų44.54%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-109.7117.7169-174.60000106.6Y120 V241 W264 Y297 L308Y120-V188 HydrophobicContact CD2-CG1 4.25Å; V188-V241 HydrophobicContact CG1-CG2 4.15Å; V188-V241 HydrophobicContact CG2-CG2 4.19Å; V188-W264 HydrophobicContact CG2-CG 4.45Å; V188-Y297 HydrophobicContact CB-CE2 4.44Å; V188-Y297 HydrophobicContact CG1-CD1 4.15Å; V188-Y297 HydrophobicContact CG1-CE1 3.78Å; V188-Y297 HydrophobicContact CG2-CD1 4.49Å; V188-Y297 HydrophobicContact CG2-CD2 4.07Å; V188-Y297 HydrophobicContact CG2-CE2 4.16Å; V188-Y297 HydrophobicContact CG2-CG 4.24Å; V188-L308 HydrophobicContact CG2-CD1 4.03Å
189T94.2Very high93.8Very high0 Ų041.1 Ų41.10%025%0.247CC..EExtended strand (participates in β ladder)trans-137.1161.7-171.362.50000111.1C187 L240 F256C187-T189 HydrophobicContact CB-CG2 4.07Å; T189-L240 PolarHBondContact N-O 2.84Å; T189-L240 PolarHBondContact O-N 3.39Å; T189-L240 PolarHBondContact OG1-O 2.79Å; T189-F256 CarbonylContact C-O 3.39Å; T189-F256 VanDerWaalsContact CA-O 3.26Å; T189-F256 WeakPolarHBondContact CA-O 3.4Å; T189-F256 WeakPolarHBondContact CB-O 3.49Å
190S94.7Very high93.9Very high12 Ų1239.4 Ų39.48%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-120.5157.1173.6176.90000109.7Q121 I238 F256Q121-S190 PolarHBondContact NE2-OG 2.78Å; S190-I238 VanDerWaalsContact CA-O 3.32Å; S190-I238 WeakPolarHBondContact CA-O 3.21Å; S190-I238 WeakPolarHBondContact CB-O 3.18Å; S190-I238 PolarHBondContact OG-O 3.22Å; S190-F256 PolarHBondContact N-O 2.98Å; S190-F256 PolarHBondContact O-N 3.43Å
191L93.7Very high93.9Very high2 Ų241.9 Ų41.91%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-124.7142.7173.9-17573.6000108.6P193 T195 L196 V199 I238 L240 L254 L255L191-P193 WeakPolarHBondContact O-CD 3.4Å; L191-T195 WeakPolarHBondContact CD1-OG1 3.26Å; L191-T195 WeakPolarHBondContact CG-OG1 3.31Å; L191-L196 HydrophobicContact CD2-CB 4.26Å; L191-L196 HydrophobicContact CD2-CD1 3.81Å; L191-V199 HydrophobicContact CD1-CG2 4.26Å; L191-V199 HydrophobicContact CD2-CG2 3.51Å; L191-I238 HydrophobicContact CB-CB 4.11Å; L191-I238 HydrophobicContact CB-CD1 4.41Å; L191-I238 HydrophobicContact CB-CG2 3.86Å; L191-I238 HydrophobicContact CD2-CD1 4.17Å; L191-L240 HydrophobicContact CB-CD1 4.33Å; L191-L254 HydrophobicContact CD1-CB 4.05Å; L191-L254 WeakPolarHBondContact CD1-O 3.39Å; L191-L255 HydrophobicContact CD1-CD2 4.29Å
192D92.1Very high94Very high61 Ų6140.1 Ų40.133%0.32624%0.239SC..  trans-68.6125.7167.6-168.9-36.1000108.9D194 T195 L196 F256D192-D194 PolarHBondContact O-N 3.15Å; D192-D194 VanDerWaalsContact O-N 3.13Å; D192-D194 WeakPolarHBondContact OD1-CB 3.39Å; D192-D194 PolarHBondContact OD1-N 2.83Å; D192-T195 HydrophobicContact CB-CG2 3.82Å; D192-T195 WeakPolarHBondContact O-CA 3.34Å; D192-T195 WeakPolarHBondContact O-CB 3.47Å; D192-T195 PolarHBondContact O-N 2.96Å; D192-T195 PolarHBondContact O-OG1 2.79Å; D192-L196 PolarHBondContact O-N 2.85Å; D192-F256 HydrophobicContact CB-CE2 3.82Å; D192-F256 HydrophobicContact CB-CZ 4.28Å
193P89.4Confident94.1Very high55 Ų5539.7 Ų39.736%0.35724%0.236SC..G310 helixtrans-50.9-34.1175-26.333.9000114.4L191 T195 L196 G236 I238L191-P193 WeakPolarHBondContact O-CD 3.4Å; P193-T195 PolarHBondContact O-N 2.86Å; P193-L196 WeakPolarHBondContact O-CB 3.32Å; P193-L196 PolarHBondContact O-N 2.93Å; P193-L196 VanDerWaalsContact O-N 3.16Å; P193-G236 WeakPolarHBondContact CG-O 3.32Å; P193-I238 HydrophobicContact CB-CD1 4.42Å; P193-I238 HydrophobicContact CG-CD1 4.42Å
194D90.5Very high94.1Very high144 Ų14439.7 Ų39.777%0.7723%0.231SC*.G310 helixtrans-70.1-20.4179.2-72.3-17.4000112.2D192 P197D192-D194 PolarHBondContact O-N 3.15Å; D192-D194 VanDerWaalsContact O-N 3.13Å; D192-D194 WeakPolarHBondContact OD1-CB 3.39Å; D192-D194 PolarHBondContact OD1-N 2.83Å; D194-P197 WeakPolarHBondContact O-CD 3.06Å
195T92Very high94.1Very high33 Ų3342.1 Ų42.120%0.20224%0.244CC..G310 helixtrans-91.2-10.2175.869.50000113.2L191 D192 P193 P197 A198 L254L191-T195 WeakPolarHBondContact CD1-OG1 3.26Å; L191-T195 WeakPolarHBondContact CG-OG1 3.31Å; D192-T195 HydrophobicContact CB-CG2 3.82Å; D192-T195 WeakPolarHBondContact O-CA 3.34Å; D192-T195 WeakPolarHBondContact O-CB 3.47Å; D192-T195 PolarHBondContact O-N 2.96Å; D192-T195 PolarHBondContact O-OG1 2.79Å; P193-T195 PolarHBondContact O-N 2.86Å; T195-P197 VanDerWaalsContact C-CD 3.42Å; T195-P197 VanDerWaalsContact C-N 3.32Å; T195-A198 WeakPolarHBondContact O-CB 3.41Å; T195-A198 PolarHBondContact O-N 3.08Å; T195-L254 HydrophobicContact CG2-CD2 3.9Å
196L92.2Very high94Very high15 Ų1536.8 Ų36.88%0.07922%0.224CC..Hα-helixtrans-52.3-42.2178.9-176.365000113.3A31 F32 L191 D192 P193 A198 V199 A200 L203 I238A31-L196 VanDerWaalsContact O-CD2 3.28Å; A31-L196 WeakPolarHBondContact O-CD2 3.36Å; F32-L196 HydrophobicContact CD1-CD1 4.05Å; F32-L196 HydrophobicContact CD1-CD2 4.04Å; F32-L196 HydrophobicContact CD1-CG 3.98Å; F32-L196 HydrophobicContact CE1-CD1 3.95Å; F32-L196 HydrophobicContact CE1-CG 4.39Å; L191-L196 HydrophobicContact CD2-CB 4.26Å; L191-L196 HydrophobicContact CD2-CD1 3.81Å; D192-L196 PolarHBondContact O-N 2.85Å; P193-L196 WeakPolarHBondContact O-CB 3.32Å; P193-L196 PolarHBondContact O-N 2.93Å; P193-L196 VanDerWaalsContact O-N 3.16Å; L196-A198 PolarHBondContact O-N 2.96Å; L196-V199 HydrophobicContact CD1-CG2 4.44Å; L196-V199 CarbonylContact O-C 3.54Å; L196-V199 PolarHBondContact O-N 2.79Å; L196-V199 VanDerWaalsContact O-N 3.15Å; L196-A200 WeakPolarHBondContact O-CB 3.49Å; L196-A200 PolarHBondContact O-N 2.84Å; L196-L203 HydrophobicContact CD1-CD2 3.68Å; L196-I238 HydrophobicContact CB-CD1 4.18Å; L196-I238 HydrophobicContact CD1-CD1 4.11Å; L196-I238 HydrophobicContact CD2-CD1 4.09Å; L196-I238 HydrophobicContact CG-CD1 4.35Å
197P92.8Very high94Very high105 Ų10536.9 Ų36.968%0.68222%0.224SC*.Hα-helixtrans-57.9-31.9175.6-26.136.5000114.1D194 T195 V199D194-P197 WeakPolarHBondContact O-CD 3.06Å; T195-P197 VanDerWaalsContact C-CD 3.42Å; T195-P197 VanDerWaalsContact C-N 3.32Å; P197-V199 VanDerWaalsContact C-N 3.31Å; P197-V199 PolarHBondContact O-N 2.89Å
198A94.6Very high93.9Very high74 Ų7437.4 Ų37.461%0.61223%0.226SC*.Hα-helixtrans-72.8-24.1-178.800000113T195 L196 L254T195-A198 WeakPolarHBondContact O-CB 3.41Å; T195-A198 PolarHBondContact O-N 3.08Å; L196-A198 PolarHBondContact O-N 2.96Å; A198-L254 HydrophobicContact CB-CD1 4.24Å
199V95.1Very high93.7Very high2 Ų244.2 Ų44.21%0.01225%0.252CS..Hα-helixtrans-113.43.5179.7-60.20000113.1L191 L196 P197 T201 L202 L203 F250 P251 L254L191-V199 HydrophobicContact CD1-CG2 4.26Å; L191-V199 HydrophobicContact CD2-CG2 3.51Å; L196-V199 HydrophobicContact CD1-CG2 4.44Å; L196-V199 CarbonylContact O-C 3.54Å; L196-V199 PolarHBondContact O-N 2.79Å; L196-V199 VanDerWaalsContact O-N 3.15Å; P197-V199 VanDerWaalsContact C-N 3.31Å; P197-V199 PolarHBondContact O-N 2.89Å; V199-T201 PolarHBondContact O-N 2.75Å; V199-L202 WeakPolarHBondContact O-CB 3.46Å; V199-L202 PolarHBondContact O-N 3.12Å; V199-L202 VanDerWaalsContact O-N 3.17Å; V199-L203 WeakPolarHBondContact O-CB 3.42Å; V199-L203 PolarHBondContact O-N 2.94Å; V199-F250 HydrophobicContact CB-CD1 4.31Å; V199-F250 HydrophobicContact CB-CE1 4.3Å; V199-F250 HydrophobicContact CG1-CD1 4.27Å; V199-P251 HydrophobicContact CG1-CG 4.46Å; V199-L254 HydrophobicContact CG1-CD1 3.59Å
200A95.4Very high92.8Very high16 Ų1645.3 Ų45.313%0.13226%0.26CS..Hα-helixtrans-57.4-44.4-171.500000113.2F32 L196 L203 M204F32-A200 HydrophobicContact CD1-CB 3.88Å; F32-A200 HydrophobicContact CE1-CB 3.96Å; L196-A200 WeakPolarHBondContact O-CB 3.49Å; L196-A200 PolarHBondContact O-N 2.84Å; A200-L203 PolarHBondContact O-N 3.21Å; A200-M204 WeakPolarHBondContact O-CB 3.42Å; A200-M204 VanDerWaalsContact O-CG 3.24Å; A200-M204 WeakPolarHBondContact O-CG 3.41Å; A200-M204 PolarHBondContact O-N 2.83Å
201T95.4Very high91.4Very high116 Ų11649.8 Ų49.871%0.71228%0.283SS*.Hα-helixtrans-65.7-41.4179.251.80000112.3V199 D205V199-T201 PolarHBondContact O-N 2.75Å; T201-D205 PolarHBondContact O-N 2.85Å
202L95.5Very high89.4Confident28 Ų2852.9 Ų52.915%0.14732%0.316CS..Hα-helixtrans-62.7-45.3173.5171.362.6000110.7V199 M204 D205 V206 R249 F250V199-L202 WeakPolarHBondContact O-CB 3.46Å; V199-L202 PolarHBondContact O-N 3.12Å; V199-L202 VanDerWaalsContact O-N 3.17Å; L202-M204 PolarHBondContact O-N 2.82Å; L202-D205 WeakPolarHBondContact O-CB 3.46Å; L202-D205 PolarHBondContact O-N 2.83Å; L202-V206 HydrophobicContact CD1-CG2 4.16Å; L202-V206 WeakPolarHBondContact O-CG2 3.24Å; L202-V206 PolarHBondContact O-N 3.39Å; L202-R249 HydrophobicContact CD1-CB 3.87Å; L202-R249 HydrophobicContact CD2-CB 4.32Å; L202-R249 VanDerWaalsContact CD2-O 3.25Å; L202-R249 WeakPolarHBondContact CD2-O 3.47Å; L202-F250 HydrophobicContact CD2-CB 4.21Å; L202-F250 HydrophobicContact CD2-CD1 3.64Å; L202-F250 HydrophobicContact CD2-CD2 3.82Å; L202-F250 HydrophobicContact CD2-CE1 3.84Å; L202-F250 HydrophobicContact CD2-CE2 4Å; L202-F250 HydrophobicContact CD2-CG 3.62Å; L202-F250 HydrophobicContact CD2-CZ 4.02Å; L202-F250 HydrophobicContact CG-CD1 4.5Å; L202-F250 HydrophobicContact CG-CE1 4.22Å; L202-F250 HydrophobicContact CG-CE2 4.26Å; L202-F250 HydrophobicContact CG-CZ 4.09Å
203L95.8Very high87.4Confident0 Ų054.7 Ų54.70%033%0.329CS..Hα-helixtrans-65.5-40-178.6-166.465.2000111.4F32 L196 V199 A200 D205 V206 M207 F229 F231 L240 F250F32-L203 HydrophobicContact CE1-CB 4.05Å; F32-L203 HydrophobicContact CE1-CD2 3.62Å; F32-L203 HydrophobicContact CE1-CG 4.2Å; F32-L203 HydrophobicContact CZ-CB 4.01Å; F32-L203 HydrophobicContact CZ-CD2 3.82Å; F32-L203 HydrophobicContact CZ-CG 4.02Å; L196-L203 HydrophobicContact CD1-CD2 3.68Å; V199-L203 WeakPolarHBondContact O-CB 3.42Å; V199-L203 PolarHBondContact O-N 2.94Å; A200-L203 PolarHBondContact O-N 3.21Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 2.97Å; L203-V206 PolarHBondContact O-N 2.83Å; L203-M207 HydrophobicContact CD1-SD 4.44Å; L203-M207 HydrophobicContact CD2-SD 4.2Å; L203-M207 HydrophobicContact CG-CG 4.31Å; L203-M207 HydrophobicContact CG-SD 3.75Å; L203-M207 VanDerWaalsContact O-CB 3.28Å; L203-M207 WeakPolarHBondContact O-CB 3.44Å; L203-M207 WeakPolarHBondContact O-CG 3.26Å; L203-M207 PolarHBondContact O-N 2.78Å; L203-F229 HydrophobicContact CD1-CE1 4.34Å; L203-F229 HydrophobicContact CD1-CZ 3.63Å; L203-F231 HydrophobicContact CD1-CD2 4.31Å; L203-F231 HydrophobicContact CD2-CD2 3.72Å; L203-F231 HydrophobicContact CD2-CE2 3.52Å; L203-F231 HydrophobicContact CD2-CZ 4.44Å; L203-F231 HydrophobicContact CG-CD2 4.45Å; L203-L240 HydrophobicContact CD1-CD2 4.16Å; L203-F250 HydrophobicContact CD1-CE1 4.2Å; L203-F250 HydrophobicContact CD1-CZ 3.89Å
204M95.7Very high85.3Confident49 Ų4961.2 Ų61.224%0.24135%0.351CS..Hα-helixtrans-61.2-41.8172.4-72172.8-169.600112.1I28 F32 A200 L202 M207 F208I28-M204 HydrophobicContact CG1-CE 4.34Å; I28-M204 HydrophobicContact CG2-CE 4.09Å; F32-M204 HydrophobicContact CB-CE 4.46Å; F32-M204 HydrophobicContact CD1-CE 4.29Å; F32-M204 HydrophobicContact CD2-CE 3.48Å; F32-M204 VanDerWaalsContact CD2-CE 3.48Å; F32-M204 HydrophobicContact CD2-CG 4.35Å; F32-M204 HydrophobicContact CE1-CE 4.43Å; F32-M204 HydrophobicContact CE2-CE 3.68Å; F32-M204 HydrophobicContact CE2-CG 3.56Å; F32-M204 HydrophobicContact CG-CE 3.83Å; F32-M204 HydrophobicContact CZ-CE 4.16Å; F32-M204 HydrophobicContact CZ-CG 3.69Å; A200-M204 WeakPolarHBondContact O-CB 3.42Å; A200-M204 VanDerWaalsContact O-CG 3.24Å; A200-M204 WeakPolarHBondContact O-CG 3.41Å; A200-M204 PolarHBondContact O-N 2.83Å; L202-M204 PolarHBondContact O-N 2.82Å; M204-M207 PolarHBondContact O-N 2.75Å; M204-F208 HydrophobicContact CB-CD2 4.21Å; M204-F208 HydrophobicContact CB-CE2 4.49Å; M204-F208 HydrophobicContact CG-CD2 4.5Å; M204-F208 HydrophobicContact CG-CE2 4.32Å; M204-F208 WeakPolarHBondContact O-CB 3.4Å; M204-F208 WeakPolarHBondContact O-CD2 3.38Å; M204-F208 PolarHBondContact O-N 2.79Å
205D94.9Very high83.4Confident52 Ų5258.7 Ų58.728%0.27834%0.338SS..Hα-helixtrans-61.5-46.7175.5-178.682.8000111.4T201 L202 L203 Y209 R249T201-D205 PolarHBondContact O-N 2.85Å; L202-D205 WeakPolarHBondContact O-CB 3.46Å; L202-D205 PolarHBondContact O-N 2.83Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 2.97Å; D205-Y209 CarbonylContact O-C 3.52Å; D205-Y209 WeakPolarHBondContact O-CA 3.44Å; D205-Y209 PolarHBondContact O-N 3.4Å; D205-R249 IonicContact OD2-CZ 2.88Å; D205-R249 VanDerWaalsContact OD2-CZ 3.29Å; D205-R249 IonicContact OD2-NH1 3.92Å; D205-R249 PolarHBondContact OD2-NH1 3.31Å; D205-R249 IonicContact OD2-NH2 3.41Å; D205-R249 PolarHBondContact OD2-NH2 2.75Å
206V95.3Very high81Confident0 Ų062.4 Ų62.40%036%0.362CS..Hα-helixtrans-63.3-43.7176.7175.30000111.4L202 L203 R227 F229 T246 F250L202-V206 HydrophobicContact CD1-CG2 4.16Å; L202-V206 WeakPolarHBondContact O-CG2 3.24Å; L202-V206 PolarHBondContact O-N 3.39Å; L203-V206 PolarHBondContact O-N 2.83Å; V206-R227 PolarHBondContact O-NH2 2.85Å; V206-F229 HydrophobicContact CG1-CD1 4.09Å; V206-F229 HydrophobicContact CG1-CD2 3.44Å; V206-F229 VanDerWaalsContact CG1-CD2 3.44Å; V206-F229 HydrophobicContact CG1-CE1 4.08Å; V206-F229 HydrophobicContact CG1-CE2 3.44Å; V206-F229 VanDerWaalsContact CG1-CE2 3.44Å; V206-F229 HydrophobicContact CG1-CG 3.79Å; V206-F229 HydrophobicContact CG1-CZ 3.78Å; V206-T246 HydrophobicContact CG1-CG2 3.69Å; V206-T246 HydrophobicContact CG2-CG2 3.89Å; V206-F250 HydrophobicContact CG2-CE2 4.32Å
207M95.1Very high78.8Confident1 Ų169.3 Ų69.31%0.00540%0.396CS..Hα-helixtrans-73.2-32.1-176-73.5171.979.800113.6A31 F32 L44 Y51 L203 M204 F229 F231A31-M207 HydrophobicContact CB-CE 4.17Å; F32-M207 HydrophobicContact CE2-SD 4.35Å; F32-M207 HydrophobicContact CZ-SD 4.03Å; L44-M207 HydrophobicContact CB-CE 4.39Å; L44-M207 HydrophobicContact CD2-CB 4.46Å; L44-M207 HydrophobicContact CD2-CE 3.38Å; L44-M207 HydrophobicContact CD2-CG 4.49Å; Y51-M207 WeakPolarHBondContact CE1-O 3.27Å; Y51-M207 PolarHBondContact OH-O 2.77Å; L203-M207 HydrophobicContact CD1-SD 4.44Å; L203-M207 HydrophobicContact CD2-SD 4.2Å; L203-M207 HydrophobicContact CG-CG 4.31Å; L203-M207 HydrophobicContact CG-SD 3.75Å; L203-M207 VanDerWaalsContact O-CB 3.28Å; L203-M207 WeakPolarHBondContact O-CB 3.44Å; L203-M207 WeakPolarHBondContact O-CG 3.26Å; L203-M207 PolarHBondContact O-N 2.78Å; M204-M207 PolarHBondContact O-N 2.75Å; M207-F229 HydrophobicContact CG-CD1 4.27Å; M207-F229 HydrophobicContact CG-CE1 3.59Å; M207-F229 HydrophobicContact CG-CZ 4.44Å; M207-F231 HydrophobicContact CE-CB 4.37Å; M207-F231 HydrophobicContact CE-CD1 4.15Å; M207-F231 HydrophobicContact CE-CG 4.24Å; M207-F231 HydrophobicContact SD-CG 4.41Å
208F93.7Very high76.7Confident13 Ų1367.5 Ų67.56%0.05739%0.39CS..Hα-helixtrans-128.4-15.4-165.4-50.4-53.1000115.1I20 T24 L27 I28 L44 M204I20-F208 HydrophobicContact CG1-CD1 3.95Å; T24-F208 HydrophobicContact CG2-CB 4.4Å; T24-F208 HydrophobicContact CG2-CD1 4.29Å; T24-F208 HydrophobicContact CG2-CG 4.17Å; L27-F208 HydrophobicContact CB-CE1 3.93Å; L27-F208 HydrophobicContact CB-CZ 3.77Å; L27-F208 HydrophobicContact CD1-CE1 3.75Å; L27-F208 HydrophobicContact CD1-CZ 4.46Å; L27-F208 HydrophobicContact CG-CE1 4.5Å; I28-F208 HydrophobicContact CG1-CE2 3.94Å; L44-F208 HydrophobicContact CD2-CE1 4.05Å; M204-F208 HydrophobicContact CB-CD2 4.21Å; M204-F208 HydrophobicContact CB-CE2 4.49Å; M204-F208 HydrophobicContact CG-CD2 4.5Å; M204-F208 HydrophobicContact CG-CE2 4.32Å; M204-F208 WeakPolarHBondContact O-CB 3.4Å; M204-F208 WeakPolarHBondContact O-CD2 3.38Å; M204-F208 PolarHBondContact O-N 2.79Å
209Y89.6Confident74.4Confident151 Ų15170.5 Ų70.559%0.59240%0.401SS*.  trans-122.612.8-171.9-65.7-85.7000114.3D205 N211 G212D205-Y209 CarbonylContact O-C 3.52Å; D205-Y209 WeakPolarHBondContact O-CA 3.44Å; D205-Y209 PolarHBondContact O-N 3.4Å; Y209-N211 PolarHBondContact O-N 2.79Å; Y209-N211 VanDerWaalsContact O-N 3.13Å; Y209-G212 PolarHBondContact O-N 3.24Å; Y209-G212 VanDerWaalsContact O-N 3.13Å
210S75.6Confident71.9Confident23 Ų2372.8 Ų72.816%0.16142%0.424CS..G310 helixtrans-55.2-31.2179.161.80000114.2E46 G212 V213E46-S210 PolarHBondContact OE1-OG 3.45Å; E46-S210 PolarHBondContact OE2-OG 3.18Å; S210-G212 PolarHBondContact O-N 3.06Å; S210-V213 PolarHBondContact O-N 2.82Å
211N65.5Low69.7Low105 Ų10579.7 Ų79.756%0.56146%0.459SS*.G310 helixtrans-64.4-18.9-179.5-67.9-24.1000114Y209Y209-N211 PolarHBondContact O-N 2.79Å; Y209-N211 VanDerWaalsContact O-N 3.13Å
212G51.4Low67.7Low68 Ų6878.3 Ų78.370%0.70145%0.447SS*.G310 helixtrans-81.9-20.6-175.600000114.6Y209 S210 K214Y209-G212 PolarHBondContact O-N 3.24Å; Y209-G212 VanDerWaalsContact O-N 3.13Å; S210-G212 PolarHBondContact O-N 3.06Å; G212-K214 PolarHBondContact O-N 3.5Å; G212-K214 VanDerWaalsContact O-N 3.15Å
213V49.9Very low66.1Low99 Ų9982.9 Ų82.960%0.648%0.481SS*.  trans-89.283.8-178.9-169.80000108.5S210 D215S210-V213 PolarHBondContact O-N 2.82Å; V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 PolarHBondContact O-N 2.8Å
214K46.1Very low65.6Low192 Ų19284.4 Ų84.484%0.83550%0.496SS*.  trans-63.5102.4151-75-174.8178.4-178.30105.5G212 P216G212-K214 PolarHBondContact O-N 3.5Å; G212-K214 VanDerWaalsContact O-N 3.15Å; K214-P216 WeakPolarHBondContact O-CD 3.32Å
215D48.9Very low65.4Low91 Ų9185 Ų8549%0.48750%0.499SS..  trans-54.1116.9173.3-166.8-18.4000107.8V213 M217 A218V213-D215 VanDerWaalsContact C-N 3.28Å; V213-D215 PolarHBondContact O-N 2.8Å; D215-M217 PolarHBondContact O-N 3.02Å; D215-M217 VanDerWaalsContact O-N 3.09Å; D215-M217 WeakPolarHBondContact OD1-CB 3.45Å; D215-M217 PolarHBondContact OD1-N 2.87Å; D215-A218 HydrophobicContact CB-CB 4.02Å; D215-A218 WeakPolarHBondContact O-CB 3.36Å; D215-A218 PolarHBondContact O-N 2.82Å
216P43.2Very low65.3Low110 Ų11084.4 Ų84.471%0.71450%0.495SS*.THydrogen-bonded Turntrans-58.2-22.4177.1-2132.3000111.9K214 T219K214-P216 WeakPolarHBondContact O-CD 3.32Å; P216-T219 PolarHBondContact O-OG1 2.99Å
217M46.1Very low65.2Low161 Ų16186.9 Ų86.979%0.79350%0.504SS*.THydrogen-bonded Turntrans-84.7-8.6176.4-114.4169.9-169.900114.3D215 T219D215-M217 PolarHBondContact O-N 3.02Å; D215-M217 VanDerWaalsContact O-N 3.09Å; D215-M217 WeakPolarHBondContact OD1-CB 3.45Å; D215-M217 PolarHBondContact OD1-N 2.87Å; M217-T219 PolarHBondContact O-N 3.24Å
218A48.3Very low65.3Low66 Ų6686.8 Ų86.855%0.54550%0.504SS..THydrogen-bonded Turntrans-74.318.9172.600000113.7D215D215-A218 HydrophobicContact CB-CB 4.02Å; D215-A218 WeakPolarHBondContact O-CB 3.36Å; D215-A218 PolarHBondContact O-N 2.82Å
219T45.6Very low65.5Low138 Ų13886.3 Ų86.385%0.84750%0.501SS*.THydrogen-bonded Turntrans-82.53.3169.145.10000113P216 M217P216-T219 PolarHBondContact O-OG1 2.99Å; M217-T219 PolarHBondContact O-N 3.24Å
220G43.8Very low65.9Low49 Ų4979.2 Ų79.251%0.50547%0.474SS..SBendtrans-143.4111.6171.700000112.3D222G220-D222 VanDerWaalsContact C-N 3.32Å; G220-D222 PolarHBondContact O-N 3.19Å
221D48Very low67Low162 Ų16278.1 Ų78.187%0.86647%0.466SS*.  trans56.118.2146.4-132.912.7000120.7C223D221-C223 PolarHBondContact O-N 3.01Å
222D53.9Low68.6Low86 Ų8673.2 Ų73.246%0.4644%0.44SS..  trans-79.943.7174.6-148.315.3000113.1G220 G224 H225G220-D222 VanDerWaalsContact C-N 3.32Å; G220-D222 PolarHBondContact O-N 3.19Å; D222-G224 PolarHBondContact O-N 3.34Å; D222-H225 PolarHBondContact O-N 2.78Å; D222-H225 IonicContact OD1-CE1 3.69Å; D222-H225 PolarHBondContact OD1-CE1 3.5Å; D222-H225 IonicContact OD1-CG 3.9Å; D222-H225 IonicContact OD1-ND1 2.76Å; D222-H225 PolarHBondContact OD1-ND1 3.32Å; D222-H225 IonicContact OD2-CE1 2.72Å; D222-H225 PolarHBondContact OD2-CE1 3.4Å; D222-H225 IonicContact OD2-CG 3.51Å; D222-H225 IonicContact OD2-ND1 3.61Å; D222-H225 PolarHBondContact OD2-ND1 3.39Å
223C62.7Low70.7Confident125 Ų12571.2 Ų71.285%0.84541%0.414SS*.THydrogen-bonded Turntrans-62.1-8.3-164.2-165.50000114.9D221D221-C223 PolarHBondContact O-N 3.01Å
224G84.7Confident73Confident32 Ų3266.9 Ų66.933%0.3339%0.387SS..THydrogen-bonded Turntrans-113.4-6.3-175.300000116.2P182 S183 D222P182-G224 CarbonylContact C-O 3.55Å; P182-G224 WeakPolarHBondContact CA-O 2.84Å; P182-G224 VanDerWaalsContact CB-O 3.27Å; P182-G224 WeakPolarHBondContact CB-O 3.26Å; S183-G224 PolarHBondContact N-O 2.77Å; S183-G224 WeakPolarHBondContact OG-CA 3.47Å; S183-G224 PolarHBondContact OG-O 2.89Å; D222-G224 PolarHBondContact O-N 3.34Å
225H90.6Very high75.1Confident62 Ų6262.6 Ų62.629%0.28737%0.37SS..  trans-79.3137-177.2-82.885.3000110.9S183 N184 D222 Q245S183-H225 PolarHBondContact OG-CE1 3.16Å; S183-H225 PolarHBondContact OG-N 2.89Å; S183-H225 PolarHBondContact OG-ND1 2.94Å; N184-H225 WeakPolarHBondContact OD1-CA 3.35Å; D222-H225 PolarHBondContact O-N 2.78Å; D222-H225 IonicContact OD1-CE1 3.69Å; D222-H225 PolarHBondContact OD1-CE1 3.5Å; D222-H225 IonicContact OD1-CG 3.9Å; D222-H225 IonicContact OD1-ND1 2.76Å; D222-H225 PolarHBondContact OD1-ND1 3.32Å; D222-H225 IonicContact OD2-CE1 2.72Å; D222-H225 PolarHBondContact OD2-CE1 3.4Å; D222-H225 IonicContact OD2-CG 3.51Å; D222-H225 IonicContact OD2-ND1 3.61Å; D222-H225 PolarHBondContact OD2-ND1 3.39Å; H225-Q245 PolarHBondContact NE2-NE2 3.02Å; H225-Q245 VanDerWaalsContact NE2-NE2 3.17Å
226I93.5Very high77.2Confident38 Ų3860.2 Ų60.220%0.19537%0.367CS..  trans-118.6154.5174.670.6173.3000110.4P48 P182 N184 F228 M266P48-I226 HydrophobicContact CG-CB 4Å; P182-I226 HydrophobicContact CB-CB 4.29Å; P182-I226 HydrophobicContact CB-CD1 3.95Å; P182-I226 HydrophobicContact CB-CG1 3.65Å; P182-I226 HydrophobicContact CB-CG2 3.95Å; P182-I226 HydrophobicContact CG-CD1 3.72Å; P182-I226 HydrophobicContact CG-CG1 3.82Å; N184-I226 PolarHBondContact ND2-O 2.77Å; N184-I226 PolarHBondContact OD1-N 2.78Å; N184-I226 PolarHBondContact OD1-O 3.31Å; I226-F228 PolarHBondContact O-N 2.88Å; I226-M266 HydrophobicContact CD1-SD 3.85Å
227R93.6Very high79.7Confident52 Ų5261.8 Ų61.820%0.19636%0.359CS..  trans-77.9120.7169.3-179.358.7-176166.34.6109.6E46 T47 P48 V206E46-R227 HydrophobicContact CG-CG 4.23Å; E46-R227 WeakPolarHBondContact OE1-CG 3.41Å; E46-R227 IonicContact OE1-NE 2.64Å; E46-R227 IonicContact OE2-CZ 3.98Å; E46-R227 VanDerWaalsContact OE2-CZ 3.22Å; E46-R227 IonicContact OE2-NE 3.79Å; E46-R227 PolarHBondContact OE2-NE 2.88Å; E46-R227 IonicContact OE2-NH2 2.76Å; E46-R227 PolarHBondContact OE2-NH2 2.84Å; T47-R227 CarbonylContact C-O 3.57Å; P48-R227 WeakPolarHBondContact CD-O 3.46Å; V206-R227 PolarHBondContact O-NH2 2.85Å
228F97Very high82Confident0 Ų054.1 Ų54.10%032%0.322CS..  trans-147.4126.8170.5-173.3-83.8000110.2T45 E46 T47 F186 I226 V241 M266 I299 H306T45-F228 HydrophobicContact CG2-CE1 4.4Å; T45-F228 HydrophobicContact CG2-CE2 3.88Å; T45-F228 HydrophobicContact CG2-CZ 3.77Å; E46-F228 WeakPolarHBondContact O-CA 3.28Å; T47-F228 HydrophobicContact CG2-CD2 4.42Å; F186-F228 HydrophobicContact CE1-CB 3.83Å; F186-F228 HydrophobicContact CE1-CD1 4.15Å; F186-F228 HydrophobicContact CE1-CG 4.36Å; F186-F228 HydrophobicContact CZ-CB 4.03Å; I226-F228 PolarHBondContact O-N 2.88Å; F228-V241 HydrophobicContact CD1-CG1 4.31Å; F228-V241 HydrophobicContact CE1-CB 4.44Å; F228-V241 HydrophobicContact CE1-CG1 3.84Å; F228-M266 HydrophobicContact CB-CE 3.95Å; F228-M266 HydrophobicContact CD1-CE 3.59Å; F228-M266 HydrophobicContact CD2-CE 3.49Å; F228-M266 VanDerWaalsContact CD2-CE 3.49Å; F228-M266 HydrophobicContact CD2-SD 4.3Å; F228-M266 HydrophobicContact CE1-CE 3.86Å; F228-M266 HydrophobicContact CE2-CE 3.76Å; F228-M266 HydrophobicContact CG-CE 3.39Å; F228-M266 HydrophobicContact CZ-CE 3.93Å; F228-I299 HydrophobicContact CE1-CD1 4.25Å; F228-I299 HydrophobicContact CZ-CB 4.34Å; F228-I299 HydrophobicContact CZ-CD1 4.11Å; F228-I299 HydrophobicContact CZ-CG2 4.26Å; F228-H306 HydrophobicContact CE2-CB 4.07Å; F228-H306 AromaticContact CE2-CD2 3.66Å; F228-H306 AromaticContact CE2-CG 3.58Å; F228-H306 AromaticContact CE2-ND1 3.85Å; F228-H306 AromaticContact CE2-NE2 4Å; F228-H306 HydrophobicContact CZ-CB 4.31Å
229F97.8Very high84.3Confident2 Ų251.1 Ų51.11%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-147123.9177.1179.1-98.3000109.6T45 E46 L203 V206 M207 F231 L240 V241 M242T45-F229 CarbonylContact C-O 3.59Å; T45-F229 WeakPolarHBondContact CA-O 3.49Å; E46-F229 HydrophobicContact CB-CB 4.36Å; E46-F229 PolarHBondContact N-O 2.77Å; E46-F229 PolarHBondContact O-N 2.78Å; E46-F229 VanDerWaalsContact O-N 3.09Å; L203-F229 HydrophobicContact CD1-CE1 4.34Å; L203-F229 HydrophobicContact CD1-CZ 3.63Å; V206-F229 HydrophobicContact CG1-CD1 4.09Å; V206-F229 HydrophobicContact CG1-CD2 3.44Å; V206-F229 VanDerWaalsContact CG1-CD2 3.44Å; V206-F229 HydrophobicContact CG1-CE1 4.08Å; V206-F229 HydrophobicContact CG1-CE2 3.44Å; V206-F229 VanDerWaalsContact CG1-CE2 3.44Å; V206-F229 HydrophobicContact CG1-CG 3.79Å; V206-F229 HydrophobicContact CG1-CZ 3.78Å; M207-F229 HydrophobicContact CG-CD1 4.27Å; M207-F229 HydrophobicContact CG-CE1 3.59Å; M207-F229 HydrophobicContact CG-CZ 4.44Å; F229-F231 HydrophobicContact CE1-CB 3.8Å; F229-F231 HydrophobicContact CZ-CB 4.31Å; F229-L240 HydrophobicContact CZ-CD2 4.18Å; F229-V241 CarbonylContact C-O 3.51Å; F229-V241 WeakPolarHBondContact CA-O 3.39Å; F229-M242 HydrophobicContact CD2-CB 3.69Å; F229-M242 HydrophobicContact CE2-CB 4.01Å; F229-M242 HydrophobicContact CE2-CE 3.85Å; F229-M242 HydrophobicContact CE2-SD 4.34Å
230S98.4Very high86.8Confident2 Ų244.6 Ų44.61%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-116.6128174.2-158.70000110.3L44 T45 L240 V241L44-S230 WeakPolarHBondContact O-CA 3.42Å; T45-S230 PolarHBondContact OG1-OG 2.86Å; S230-L240 CarbonylContact O-C 3.49Å; S230-L240 WeakPolarHBondContact O-CA 3.29Å; S230-V241 PolarHBondContact N-O 2.83Å; S230-V241 PolarHBondContact O-N 2.97Å
231F98.2Very high89.3Confident0 Ų042.3 Ų42.30%023%0.233CC..EExtended strand (participates in β ladder)trans-117.8129.1169.7171.9-87.7000108.3A31 F42 S43 L44 L203 M207 F229 L233 I238 L240A31-F231 HydrophobicContact CB-CE1 3.95Å; A31-F231 HydrophobicContact CB-CZ 4.23Å; F42-F231 HydrophobicContact CD1-CD1 4.13Å; F42-F231 AromaticContact CD1-CE1 3.82Å; F42-F231 HydrophobicContact CD1-CE1 3.82Å; F42-F231 AromaticContact CE1-CD1 3.73Å; F42-F231 HydrophobicContact CE1-CD1 3.73Å; F42-F231 AromaticContact CE1-CE1 3.69Å; F42-F231 HydrophobicContact CE1-CE1 3.69Å; S43-F231 CarbonylContact C-O 3.54Å; S43-F231 VanDerWaalsContact CA-O 3.29Å; S43-F231 WeakPolarHBondContact CA-O 3.34Å; S43-F231 PolarHBondContact OG-O 2.85Å; L44-F231 PolarHBondContact N-O 2.91Å; L44-F231 PolarHBondContact O-N 2.84Å; L203-F231 HydrophobicContact CD1-CD2 4.31Å; L203-F231 HydrophobicContact CD2-CD2 3.72Å; L203-F231 HydrophobicContact CD2-CE2 3.52Å; L203-F231 HydrophobicContact CD2-CZ 4.44Å; L203-F231 HydrophobicContact CG-CD2 4.45Å; M207-F231 HydrophobicContact CE-CB 4.37Å; M207-F231 HydrophobicContact CE-CD1 4.15Å; M207-F231 HydrophobicContact CE-CG 4.24Å; M207-F231 HydrophobicContact SD-CG 4.41Å; F229-F231 HydrophobicContact CE1-CB 3.8Å; F229-F231 HydrophobicContact CZ-CB 4.31Å; F231-L233 HydrophobicContact CE1-CB 3.72Å; F231-L233 HydrophobicContact CZ-CB 3.86Å; F231-I238 HydrophobicContact CD2-CG2 4.38Å; F231-I238 HydrophobicContact CE2-CG2 3.79Å; F231-I238 HydrophobicContact CZ-CG2 4.45Å; F231-L240 HydrophobicContact CB-CD2 4.34Å; F231-L240 HydrophobicContact CD2-CD2 3.43Å; F231-L240 VanDerWaalsContact CD2-CD2 3.43Å; F231-L240 HydrophobicContact CE2-CD2 4.15Å; F231-L240 HydrophobicContact CG-CD2 4.32Å
232S98.1Very high91.6Very high3 Ų334.6 Ų34.62%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-129.4134.8171.1-46.80000109.6F42 S43 I238 S239F42-S232 CarbonylContact O-C 3.51Å; F42-S232 WeakPolarHBondContact O-CA 3.47Å; S43-S232 PolarHBondContact OG-OG 3.3Å; S232-I238 CarbonylContact O-C 3.59Å; S232-I238 VanDerWaalsContact O-CA 3.26Å; S232-I238 WeakPolarHBondContact O-CA 3.27Å; S232-S239 PolarHBondContact N-O 3.13Å; S232-S239 PolarHBondContact O-N 2.98Å
233L97.2Very high93.6Very high26 Ų2631.1 Ų31.114%0.13617%0.173CC..EExtended strand (participates in β ladder)trans-124.2100.5169.5173.661.1000107.4F42 F231 Y237 I238F42-L233 HydrophobicContact CD1-CB 4.48Å; F42-L233 PolarHBondContact N-O 3.35Å; F42-L233 CarbonylContact O-C 3.57Å; F42-L233 PolarHBondContact O-N 3.16Å; F231-L233 HydrophobicContact CE1-CB 3.72Å; F231-L233 HydrophobicContact CZ-CB 3.86Å; L233-Y237 WeakPolarHBondContact CA-O 3.42Å; L233-I238 HydrophobicContact CD1-CD1 4.44Å; L233-I238 HydrophobicContact CD1-CG1 3.68Å
234I96.4Very high95.1Very high8 Ų826 Ų264%0.04114%0.138CC..EExtended strand (participates in β ladder)trans-129119.6-173.5-60165.7000108.5K40 F41 L117 T119 F124 G236 Y237K40-I234 CarbonylContact O-C 3.54Å; K40-I234 WeakPolarHBondContact O-CA 3.34Å; F41-I234 HydrophobicContact CD1-CD1 4.13Å; F41-I234 HydrophobicContact CD1-CG1 4.04Å; F41-I234 HydrophobicContact CD2-CB 4.44Å; F41-I234 HydrophobicContact CD2-CD1 4.26Å; F41-I234 HydrophobicContact CD2-CG1 4.13Å; F41-I234 HydrophobicContact CD2-CG2 3.47Å; F41-I234 VanDerWaalsContact CD2-CG2 3.47Å; F41-I234 HydrophobicContact CE1-CD1 3.66Å; F41-I234 HydrophobicContact CE1-CG1 4.1Å; F41-I234 HydrophobicContact CE2-CD1 3.81Å; F41-I234 HydrophobicContact CE2-CG1 4.2Å; F41-I234 HydrophobicContact CE2-CG2 3.75Å; F41-I234 HydrophobicContact CG-CD1 4.41Å; F41-I234 HydrophobicContact CG-CG1 4.05Å; F41-I234 HydrophobicContact CG-CG2 4.08Å; F41-I234 HydrophobicContact CZ-CD1 3.49Å; F41-I234 VanDerWaalsContact CZ-CD1 3.49Å; F41-I234 HydrophobicContact CZ-CG1 4.19Å; L117-I234 HydrophobicContact CD2-CD1 3.79Å; T119-I234 HydrophobicContact CG2-CD1 4.14Å; F124-I234 HydrophobicContact CD2-CD1 3.98Å; F124-I234 HydrophobicContact CE1-CG2 4.39Å; F124-I234 HydrophobicContact CE2-CD1 3.53Å; F124-I234 HydrophobicContact CE2-CG2 4.25Å; F124-I234 HydrophobicContact CZ-CB 4.45Å; F124-I234 HydrophobicContact CZ-CD1 4.16Å; F124-I234 HydrophobicContact CZ-CG2 3.76Å; I234-G236 PolarHBondContact O-N 3.43Å; I234-G236 VanDerWaalsContact O-N 3.08Å; I234-Y237 PolarHBondContact N-O 2.66Å; I234-Y237 WeakPolarHBondContact O-CB 3.39Å; I234-Y237 PolarHBondContact O-N 2.86Å
235E91.8Very high95.5Very high102 Ų10228.7 Ų28.748%0.47714%0.142SC..THydrogen-bonded Turntrans51.332.2-177.6-62.3-172.7169.300113.8H8 K40 Y237H8-E235 IonicContact CD2-OE1 3.06Å; H8-E235 IonicContact CE1-OE1 3.89Å; H8-E235 IonicContact NE2-OE1 2.82Å; H8-E235 PolarHBondContact NE2-OE1 3.12Å; K40-E235 PolarHBondContact O-N 2.88Å; E235-Y237 VanDerWaalsContact C-N 3.34Å
236G92.8Very high95.7Very high41 Ų4126.2 Ų26.242%0.42313%0.131SC..THydrogen-bonded Turntrans83.83.8-177.800000114.3P193 I234P193-G236 WeakPolarHBondContact CG-O 3.32Å; I234-G236 PolarHBondContact O-N 3.43Å; I234-G236 VanDerWaalsContact O-N 3.08Å
237Y94.3Very high95.7Very high142 Ų14226.6 Ų26.656%0.55713%0.132SC*.EExtended strand (participates in β ladder)trans-95.6131.9171.2-63.1-79.6000110.6Q121 L233 I234 E235Q121-Y237 HydrophobicContact CG-CD1 4.06Å; Q121-Y237 HydrophobicContact CG-CG 4.17Å; L233-Y237 WeakPolarHBondContact CA-O 3.42Å; I234-Y237 PolarHBondContact N-O 2.66Å; I234-Y237 WeakPolarHBondContact O-CB 3.39Å; I234-Y237 PolarHBondContact O-N 2.86Å; E235-Y237 VanDerWaalsContact C-N 3.34Å
238I96.2Very high95.7Very high1 Ų131.2 Ų31.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-101.4129.5176-61172.7000109.5Q121 S190 L191 P193 L196 F231 S232 L233 L240Q121-I238 PolarHBondContact NE2-O 3.26Å; S190-I238 VanDerWaalsContact CA-O 3.32Å; S190-I238 WeakPolarHBondContact CA-O 3.21Å; S190-I238 WeakPolarHBondContact CB-O 3.18Å; S190-I238 PolarHBondContact OG-O 3.22Å; L191-I238 HydrophobicContact CB-CB 4.11Å; L191-I238 HydrophobicContact CB-CD1 4.41Å; L191-I238 HydrophobicContact CB-CG2 3.86Å; L191-I238 HydrophobicContact CD2-CD1 4.17Å; P193-I238 HydrophobicContact CB-CD1 4.42Å; P193-I238 HydrophobicContact CG-CD1 4.42Å; L196-I238 HydrophobicContact CB-CD1 4.18Å; L196-I238 HydrophobicContact CD1-CD1 4.11Å; L196-I238 HydrophobicContact CD2-CD1 4.09Å; L196-I238 HydrophobicContact CG-CD1 4.35Å; F231-I238 HydrophobicContact CD2-CG2 4.38Å; F231-I238 HydrophobicContact CE2-CG2 3.79Å; F231-I238 HydrophobicContact CZ-CG2 4.45Å; S232-I238 CarbonylContact O-C 3.59Å; S232-I238 VanDerWaalsContact O-CA 3.26Å; S232-I238 WeakPolarHBondContact O-CA 3.27Å; L233-I238 HydrophobicContact CD1-CD1 4.44Å; L233-I238 HydrophobicContact CD1-CG1 3.68Å; I238-L240 HydrophobicContact CG2-CD2 4.11Å; I238-L240 HydrophobicContact CG2-CG 4.12Å
239S96.3Very high95.6Very high3 Ų336.6 Ų36.62%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-122.9137.1170.7177.50000109.7T119 Y120 S232T119-S239 WeakPolarHBondContact CA-OG 3.49Å; Y120-S239 PolarHBondContact N-OG 2.79Å; S232-S239 PolarHBondContact N-O 3.13Å; S232-S239 PolarHBondContact O-N 2.98Å
240L96.9Very high95.4Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-129.3128.8-179.3-57.4174.6000109.6T189 L191 L203 F229 S230 F231 I238 M242 L255T189-L240 PolarHBondContact N-O 2.84Å; T189-L240 PolarHBondContact O-N 3.39Å; T189-L240 PolarHBondContact OG1-O 2.79Å; L191-L240 HydrophobicContact CB-CD1 4.33Å; L203-L240 HydrophobicContact CD1-CD2 4.16Å; F229-L240 HydrophobicContact CZ-CD2 4.18Å; S230-L240 CarbonylContact O-C 3.49Å; S230-L240 WeakPolarHBondContact O-CA 3.29Å; F231-L240 HydrophobicContact CB-CD2 4.34Å; F231-L240 HydrophobicContact CD2-CD2 3.43Å; F231-L240 VanDerWaalsContact CD2-CD2 3.43Å; F231-L240 HydrophobicContact CE2-CD2 4.15Å; F231-L240 HydrophobicContact CG-CD2 4.32Å; I238-L240 HydrophobicContact CG2-CD2 4.11Å; I238-L240 HydrophobicContact CG2-CG 4.12Å; L240-M242 HydrophobicContact CB-CE 3.51Å; L240-M242 HydrophobicContact CD1-CE 3.74Å; L240-M242 HydrophobicContact CG-CE 4.13Å; L240-L255 HydrophobicContact CD1-CD2 3.93Å
241V97.1Very high95.1Very high2 Ų239.6 Ų39.61%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-121.7119.5170.9179.50000108.3C187 V188 F228 F229 S230 I299 L308C187-V241 WeakPolarHBondContact O-CA 3.46Å; V188-V241 HydrophobicContact CG1-CG2 4.15Å; V188-V241 HydrophobicContact CG2-CG2 4.19Å; F228-V241 HydrophobicContact CD1-CG1 4.31Å; F228-V241 HydrophobicContact CE1-CB 4.44Å; F228-V241 HydrophobicContact CE1-CG1 3.84Å; F229-V241 CarbonylContact C-O 3.51Å; F229-V241 WeakPolarHBondContact CA-O 3.39Å; S230-V241 PolarHBondContact N-O 2.83Å; S230-V241 PolarHBondContact O-N 2.97Å; V241-I299 HydrophobicContact CB-CD1 4.32Å; V241-I299 HydrophobicContact CG1-CD1 4.44Å; V241-I299 HydrophobicContact CG2-CD1 3.95Å; V241-L308 HydrophobicContact CG1-CD1 3.42Å; V241-L308 VanDerWaalsContact CG1-CD1 3.42Å
242M96.2Very high94.3Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-153.7162-175.269.1-174.285.200111.6F186 C187 F229 L240 T246 Q247 F250F186-M242 CarbonylContact C-O 3.52Å; F186-M242 WeakPolarHBondContact CA-O 3.34Å; C187-M242 PolarHBondContact N-O 3.43Å; C187-M242 PolarHBondContact O-N 3.27Å; C187-M242 VanDerWaalsContact SG-CG 3.55Å; C187-M242 PolarHBondContact SG-O 3.01Å; F229-M242 HydrophobicContact CD2-CB 3.69Å; F229-M242 HydrophobicContact CE2-CB 4.01Å; F229-M242 HydrophobicContact CE2-CE 3.85Å; F229-M242 HydrophobicContact CE2-SD 4.34Å; L240-M242 HydrophobicContact CB-CE 3.51Å; L240-M242 HydrophobicContact CD1-CE 3.74Å; L240-M242 HydrophobicContact CG-CE 4.13Å; M242-T246 HydrophobicContact CB-CG2 4.13Å; M242-T246 HydrophobicContact CG-CG2 4.38Å; M242-T246 HydrophobicContact SD-CG2 3.78Å; M242-Q247 HydrophobicContact CG-CB 4.09Å; M242-Q247 VanDerWaalsContact SD-CA 3.54Å; M242-Q247 HydrophobicContact SD-CB 4.05Å; M242-F250 HydrophobicContact CE-CD2 4.35Å; M242-F250 HydrophobicContact CE-CE2 3.89Å; M242-F250 HydrophobicContact CE-CZ 4.17Å; M242-F250 HydrophobicContact SD-CD2 3.88Å; M242-F250 HydrophobicContact SD-CE2 3.61Å; M242-F250 HydrophobicContact SD-CZ 4.44Å
243D95.6Very high93.8Very high13 Ų1350.8 Ų50.87%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-71.5160.7172.259.352.5000112.5N184 R185 F186 Q245 T246 Q247N184-D243 HydrophobicContact CB-CB 4.42Å; R185-D243 CarbonylContact O-C 3.55Å; R185-D243 VanDerWaalsContact O-CA 3.27Å; R185-D243 WeakPolarHBondContact O-CA 3.44Å; F186-D243 HydrophobicContact CD1-CB 4.26Å; F186-D243 HydrophobicContact CE1-CB 4.18Å; D243-Q245 VanDerWaalsContact C-N 3.25Å; D243-Q245 PolarHBondContact O-N 3.09Å; D243-Q245 PolarHBondContact OD1-N 3.19Å; D243-T246 PolarHBondContact O-N 2.9Å; D243-T246 VanDerWaalsContact OD1-CB 3.22Å; D243-T246 WeakPolarHBondContact OD1-CB 3.49Å; D243-T246 PolarHBondContact OD1-N 3Å; D243-T246 PolarHBondContact OD1-OG1 2.73Å; D243-Q247 PolarHBondContact O-N 3.07Å
244V94.5Very high93.5Very high18 Ų1851 Ų5111%0.10926%0.264CS..Hα-helixtrans-57.8-38.3-179.5171.70000111.8R185 T246 Q247 Q248 L263R185-V244 HydrophobicContact CB-CG2 4Å; R185-V244 WeakPolarHBondContact O-CG2 3.34Å; R185-V244 PolarHBondContact O-N 2.73Å; V244-T246 VanDerWaalsContact C-N 3.33Å; V244-T246 PolarHBondContact O-N 3.31Å; V244-Q247 PolarHBondContact O-N 2.87Å; V244-Q248 HydrophobicContact CG1-CG 4.41Å; V244-Q248 VanDerWaalsContact O-CG 3.27Å; V244-Q248 WeakPolarHBondContact O-CG 3.27Å; V244-Q248 PolarHBondContact O-N 2.64Å; V244-L263 HydrophobicContact CG2-CD1 4.37Å; V244-L263 HydrophobicContact CG2-CD2 3.62Å
245Q93.3Very high93.3Very high88 Ų8851.3 Ų51.341%0.41127%0.266SS..Hα-helixtrans-62-42.1179.2-63.790.7-41.600111.3H225 D243H225-Q245 PolarHBondContact NE2-NE2 3.02Å; H225-Q245 VanDerWaalsContact NE2-NE2 3.17Å; D243-Q245 VanDerWaalsContact C-N 3.25Å; D243-Q245 PolarHBondContact O-N 3.09Å; D243-Q245 PolarHBondContact OD1-N 3.19Å
246T94.3Very high93.1Very high10 Ų1051.6 Ų51.66%0.06127%0.266CS..Hα-helixtrans-69.9-43.6175.9-56.50000110.7V206 M242 D243 V244 Q248 R249 F250V206-T246 HydrophobicContact CG1-CG2 3.69Å; V206-T246 HydrophobicContact CG2-CG2 3.89Å; M242-T246 HydrophobicContact CB-CG2 4.13Å; M242-T246 HydrophobicContact CG-CG2 4.38Å; M242-T246 HydrophobicContact SD-CG2 3.78Å; D243-T246 PolarHBondContact O-N 2.9Å; D243-T246 VanDerWaalsContact OD1-CB 3.22Å; D243-T246 WeakPolarHBondContact OD1-CB 3.49Å; D243-T246 PolarHBondContact OD1-N 3Å; D243-T246 PolarHBondContact OD1-OG1 2.73Å; V244-T246 VanDerWaalsContact C-N 3.33Å; V244-T246 PolarHBondContact O-N 3.31Å; T246-Q248 VanDerWaalsContact C-N 3.29Å; T246-Q248 PolarHBondContact O-N 3.14Å; T246-R249 VanDerWaalsContact O-CB 3.28Å; T246-R249 WeakPolarHBondContact O-CB 3.21Å; T246-R249 WeakPolarHBondContact O-CG 3.41Å; T246-R249 PolarHBondContact O-N 3.23Å; T246-R249 VanDerWaalsContact O-N 3.09Å; T246-F250 HydrophobicContact CG2-CE2 4.35Å; T246-F250 WeakPolarHBondContact O-CD2 3.12Å
247Q93.8Very high92.6Very high45 Ų4552.2 Ų52.221%0.2126%0.262CS..Hα-helixtrans-57.9-40.4178.2-169.4-162.5-8.900112.2C187 M242 D243 V244 R249 F250 L255C187-Q247 PolarHBondContact SG-OE1 2.8Å; M242-Q247 HydrophobicContact CG-CB 4.09Å; M242-Q247 VanDerWaalsContact SD-CA 3.54Å; M242-Q247 HydrophobicContact SD-CB 4.05Å; D243-Q247 PolarHBondContact O-N 3.07Å; V244-Q247 PolarHBondContact O-N 2.87Å; Q247-R249 PolarHBondContact O-N 2.68Å; Q247-R249 VanDerWaalsContact O-N 3.09Å; Q247-F250 WeakPolarHBondContact O-CB 3.44Å; Q247-F250 PolarHBondContact O-N 2.85Å; Q247-L255 HydrophobicContact CG-CD1 3.74Å
248Q93.3Very high91.6Very high150 Ų15047.7 Ų47.770%0.70125%0.251SS*.THydrogen-bonded Turntrans-61.6-17.7179.1-76.4173.3-1.300114V244 T246 F250V244-Q248 HydrophobicContact CG1-CG 4.41Å; V244-Q248 VanDerWaalsContact O-CG 3.27Å; V244-Q248 WeakPolarHBondContact O-CG 3.27Å; V244-Q248 PolarHBondContact O-N 2.64Å; T246-Q248 VanDerWaalsContact C-N 3.29Å; T246-Q248 PolarHBondContact O-N 3.14Å; Q248-F250 VanDerWaalsContact C-N 3.31Å
249R94.5Very high90.1Very high112 Ų11253.1 Ų53.142%0.42330%0.295SS..THydrogen-bonded Turntrans-75.8-21.7175.2-55.2174.458.4-171.1-4.6112.4L202 D205 T246 Q247L202-R249 HydrophobicContact CD1-CB 3.87Å; L202-R249 HydrophobicContact CD2-CB 4.32Å; L202-R249 VanDerWaalsContact CD2-O 3.25Å; L202-R249 WeakPolarHBondContact CD2-O 3.47Å; D205-R249 IonicContact OD2-CZ 2.88Å; D205-R249 VanDerWaalsContact OD2-CZ 3.29Å; D205-R249 IonicContact OD2-NH1 3.92Å; D205-R249 PolarHBondContact OD2-NH1 3.31Å; D205-R249 IonicContact OD2-NH2 3.41Å; D205-R249 PolarHBondContact OD2-NH2 2.75Å; T246-R249 VanDerWaalsContact O-CB 3.28Å; T246-R249 WeakPolarHBondContact O-CB 3.21Å; T246-R249 WeakPolarHBondContact O-CG 3.41Å; T246-R249 PolarHBondContact O-N 3.23Å; T246-R249 VanDerWaalsContact O-N 3.09Å; Q247-R249 PolarHBondContact O-N 2.68Å; Q247-R249 VanDerWaalsContact O-N 3.09Å
250F94.1Very high88.8Confident11 Ų1157 Ų575%0.04832%0.323CS..SBendtrans-84.3145.9-179.5-72.7-101000111.2V199 L202 L203 V206 M242 T246 Q247 Q248 S252 L255V199-F250 HydrophobicContact CB-CD1 4.31Å; V199-F250 HydrophobicContact CB-CE1 4.3Å; V199-F250 HydrophobicContact CG1-CD1 4.27Å; L202-F250 HydrophobicContact CD2-CB 4.21Å; L202-F250 HydrophobicContact CD2-CD1 3.64Å; L202-F250 HydrophobicContact CD2-CD2 3.82Å; L202-F250 HydrophobicContact CD2-CE1 3.84Å; L202-F250 HydrophobicContact CD2-CE2 4Å; L202-F250 HydrophobicContact CD2-CG 3.62Å; L202-F250 HydrophobicContact CD2-CZ 4.02Å; L202-F250 HydrophobicContact CG-CD1 4.5Å; L202-F250 HydrophobicContact CG-CE1 4.22Å; L202-F250 HydrophobicContact CG-CE2 4.26Å; L202-F250 HydrophobicContact CG-CZ 4.09Å; L203-F250 HydrophobicContact CD1-CE1 4.2Å; L203-F250 HydrophobicContact CD1-CZ 3.89Å; V206-F250 HydrophobicContact CG2-CE2 4.32Å; M242-F250 HydrophobicContact CE-CD2 4.35Å; M242-F250 HydrophobicContact CE-CE2 3.89Å; M242-F250 HydrophobicContact CE-CZ 4.17Å; M242-F250 HydrophobicContact SD-CD2 3.88Å; M242-F250 HydrophobicContact SD-CE2 3.61Å; M242-F250 HydrophobicContact SD-CZ 4.44Å; T246-F250 HydrophobicContact CG2-CE2 4.35Å; T246-F250 WeakPolarHBondContact O-CD2 3.12Å; Q247-F250 WeakPolarHBondContact O-CB 3.44Å; Q247-F250 PolarHBondContact O-N 2.85Å; Q248-F250 VanDerWaalsContact C-N 3.31Å; F250-S252 PolarHBondContact O-N 2.81Å; F250-S252 VanDerWaalsContact O-N 3.16Å; F250-L255 HydrophobicContact CB-CD1 3.59Å; F250-L255 HydrophobicContact CB-CD2 4.37Å; F250-L255 HydrophobicContact CB-CG 3.98Å; F250-L255 HydrophobicContact CD1-CD2 4.15Å; F250-L255 HydrophobicContact CG-CD1 4.09Å; F250-L255 HydrophobicContact CG-CD2 4.36Å; F250-L255 HydrophobicContact CG-CG 4.48Å
251P91.9Very high87.9Confident56 Ų5659.1 Ų59.136%0.36434%0.344SS..  trans-60.5118.2168.8-19.632.1000110.2V199 N253 L254V199-P251 HydrophobicContact CG1-CG 4.46Å; P251-N253 WeakPolarHBondContact CB-OD1 3.33Å; P251-N253 PolarHBondContact O-N 2.92Å; P251-N253 VanDerWaalsContact O-N 3.09Å; P251-L254 HydrophobicContact CB-CD1 4.01Å; P251-L254 HydrophobicContact CB-CG 4.1Å; P251-L254 HydrophobicContact CG-CD1 3.98Å; P251-L254 PolarHBondContact O-N 3.07Å
252S82.5Confident87.4Confident110 Ų11061 Ų6177%0.76935%0.353SS*.THydrogen-bonded Turntrans-61.1-23.7-173.455.10000113.9F250 L254F250-S252 PolarHBondContact O-N 2.81Å; F250-S252 VanDerWaalsContact O-N 3.16Å; S252-L254 VanDerWaalsContact C-N 3.27Å; S252-L254 PolarHBondContact O-N 2.86Å
253N87.2Confident87.3Confident129 Ų12962.8 Ų62.869%0.6936%0.362SS*.THydrogen-bonded Turntrans-77.6-6.7177.867.6-71.8000114.2P251P251-N253 WeakPolarHBondContact CB-OD1 3.33Å; P251-N253 PolarHBondContact O-N 2.92Å; P251-N253 VanDerWaalsContact O-N 3.09Å
254L91.1Very high87.3Confident29 Ų2962.5 Ų62.515%0.15236%0.36CS..THydrogen-bonded Turntrans-103.6-22.6179.3-59.8-177.9000112.8L191 T195 A198 V199 P251 S252L191-L254 HydrophobicContact CD1-CB 4.05Å; L191-L254 WeakPolarHBondContact CD1-O 3.39Å; T195-L254 HydrophobicContact CG2-CD2 3.9Å; A198-L254 HydrophobicContact CB-CD1 4.24Å; V199-L254 HydrophobicContact CG1-CD1 3.59Å; P251-L254 HydrophobicContact CB-CD1 4.01Å; P251-L254 HydrophobicContact CB-CG 4.1Å; P251-L254 HydrophobicContact CG-CD1 3.98Å; P251-L254 PolarHBondContact O-N 3.07Å; S252-L254 VanDerWaalsContact C-N 3.27Å; S252-L254 PolarHBondContact O-N 2.86Å
255L91.1Very high87.5Confident16 Ų1662.8 Ų62.88%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-87.3120.5179.9-63.9-177000110.8L191 L240 Q247 F250 T257L191-L255 HydrophobicContact CD1-CD2 4.29Å; L240-L255 HydrophobicContact CD1-CD2 3.93Å; Q247-L255 HydrophobicContact CG-CD1 3.74Å; F250-L255 HydrophobicContact CB-CD1 3.59Å; F250-L255 HydrophobicContact CB-CD2 4.37Å; F250-L255 HydrophobicContact CB-CG 3.98Å; F250-L255 HydrophobicContact CD1-CD2 4.15Å; F250-L255 HydrophobicContact CG-CD1 4.09Å; F250-L255 HydrophobicContact CG-CD2 4.36Å; F250-L255 HydrophobicContact CG-CG 4.48Å; L255-T257 PolarHBondContact O-N 3.13Å
256F88.5Confident87.6Confident108 Ų10858.6 Ų58.647%0.47434%0.341SS..EExtended strand (participates in β ladder)trans-80.1112.2164.7-56.2-61000108.6T189 S190 D192T189-F256 CarbonylContact C-O 3.39Å; T189-F256 VanDerWaalsContact CA-O 3.26Å; T189-F256 WeakPolarHBondContact CA-O 3.4Å; T189-F256 WeakPolarHBondContact CB-O 3.49Å; S190-F256 PolarHBondContact N-O 2.98Å; S190-F256 PolarHBondContact O-N 3.43Å; D192-F256 HydrophobicContact CB-CE2 3.82Å; D192-F256 HydrophobicContact CB-CZ 4.28Å
257T82.6Confident87.7Confident54 Ų5458.6 Ų58.633%0.33134%0.34SS..  trans-116.5165.2172.6-1740000109.6L255 A259L255-T257 PolarHBondContact O-N 3.13Å; T257-A259 PolarHBondContact O-N 3.02Å
258S73.6Confident87.9Confident47 Ų4757.8 Ų57.833%0.32934%0.335SS..  trans-54.8138.6168.4-179.70000110.1S260 G261S258-S260 PolarHBondContact O-N 3.15Å; S258-S260 PolarHBondContact OG-OG 3.09Å; S258-G261 PolarHBondContact O-N 2.73Å
259A63.5Low88Confident114 Ų11450.7 Ų50.794%0.94230%0.302SS*.THydrogen-bonded Turntrans-59.2-21.6179.700000113.1T257 G261T257-A259 PolarHBondContact O-N 3.02Å; A259-G261 VanDerWaalsContact C-N 3.31Å
260S69.9Low88Confident85 Ų8545.7 Ų45.759%0.59429%0.285SS*.THydrogen-bonded Turntrans-75.6-1617654.60000113.8S258 E262S258-S260 PolarHBondContact O-N 3.15Å; S258-S260 PolarHBondContact OG-OG 3.09Å; S260-E262 PolarHBondContact O-N 2.93Å; S260-E262 WeakPolarHBondContact OG-CB 3.24Å; S260-E262 PolarHBondContact OG-N 2.79Å
261G76.7Confident87.9Confident44 Ų4447.3 Ų47.345%0.45431%0.306SS..  trans62.125.9-169.300000112.9S258 A259 L263S258-G261 PolarHBondContact O-N 2.73Å; A259-G261 VanDerWaalsContact C-N 3.31Å; G261-L263 PolarHBondContact O-N 3.02Å
262E87.7Confident88Confident42 Ų4251.8 Ų51.820%0.19632%0.322CS..  trans-53.9128.8-178-178176.7-140.800111.6S260 W264 P310S260-E262 PolarHBondContact O-N 2.93Å; S260-E262 WeakPolarHBondContact OG-CB 3.24Å; S260-E262 PolarHBondContact OG-N 2.79Å; E262-W264 HydrophobicContact CG-CZ2 4.14Å; E262-W264 PolarHBondContact O-NE1 3.5Å; E262-W264 WeakPolarHBondContact OE2-CZ2 3.43Å; E262-P310 HydrophobicContact CG-CB 4.5Å
263L94.6Very high88.6Confident37 Ų3750.1 Ų50.119%0.19431%0.308CS..  trans-101.7149.5177.3-64.3-178.7000109.8R185 V244 G261 E311R185-L263 HydrophobicContact CB-CD1 4.31Å; V244-L263 HydrophobicContact CG2-CD1 4.37Å; V244-L263 HydrophobicContact CG2-CD2 3.62Å; G261-L263 PolarHBondContact O-N 3.02Å; L263-E311 HydrophobicContact CB-CB 4.36Å; L263-E311 WeakPolarHBondContact O-CB 3.17Å; L263-E311 PolarHBondContact O-N 2.74Å
264W95.8Very high89Confident7 Ų745 Ų453%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-119.1139.1-172.6-59.974.9000110.3F186 V188 E262 Y297 L308 V309 P310F186-W264 HydrophobicContact CB-CB 4.18Å; F186-W264 PolarHBondContact N-O 2.9Å; F186-W264 PolarHBondContact O-N 3.13Å; V188-W264 HydrophobicContact CG2-CG 4.45Å; E262-W264 HydrophobicContact CG-CZ2 4.14Å; E262-W264 PolarHBondContact O-NE1 3.5Å; E262-W264 WeakPolarHBondContact OE2-CZ2 3.43Å; W264-Y297 HydrophobicContact CD2-CD2 4.36Å; W264-Y297 AromaticContact CE3-CD2 3.97Å; W264-Y297 HydrophobicContact CE3-CD2 3.97Å; W264-Y297 HydrophobicContact CE3-CE2 4.42Å; W264-Y297 AromaticContact CH2-CD2 3.67Å; W264-Y297 HydrophobicContact CH2-CD2 3.67Å; W264-Y297 AromaticContact CH2-CE2 3.44Å; W264-Y297 HydrophobicContact CH2-CE2 3.44Å; W264-Y297 VanDerWaalsContact CH2-CE2 3.44Å; W264-Y297 HydrophobicContact CZ2-CD2 4.04Å; W264-Y297 AromaticContact CZ2-CE2 3.52Å; W264-Y297 HydrophobicContact CZ2-CE2 3.52Å; W264-Y297 AromaticContact CZ3-CD2 3.61Å; W264-Y297 HydrophobicContact CZ3-CD2 3.61Å; W264-Y297 AromaticContact CZ3-CE2 3.9Å; W264-Y297 HydrophobicContact CZ3-CE2 3.9Å; W264-L308 HydrophobicContact CB-CB 4.15Å; W264-L308 HydrophobicContact CB-CD2 4.24Å; W264-L308 HydrophobicContact CE3-CB 4.08Å; W264-V309 CarbonylContact C-O 3.44Å; W264-V309 VanDerWaalsContact CA-O 3.28Å; W264-V309 WeakPolarHBondContact CA-O 3.34Å; W264-P310 HydrophobicContact CE3-CG 4.39Å; W264-P310 HydrophobicContact CH2-CG 4Å; W264-P310 HydrophobicContact CZ3-CG 3.85Å
265K96.8Very high89.2Confident25 Ų2545.6 Ų45.611%0.10929%0.294CS..EExtended strand (participates in β ladder)trans-100.2145.1167.9-68.1-62.6-60.6170.70108.9P182 S183 N184 R185 L308 V309 E311 I314P182-K265 PolarHBondContact O-NZ 3.42Å; S183-K265 PolarHBondContact O-NZ 3.09Å; N184-K265 PolarHBondContact O-NZ 2.76Å; R185-K265 HydrophobicContact CG-CD 4.41Å; K265-L308 WeakPolarHBondContact O-CA 3.39Å; K265-V309 HydrophobicContact CB-CG2 4.33Å; K265-V309 PolarHBondContact N-O 3.42Å; K265-V309 WeakPolarHBondContact O-CG2 3.24Å; K265-V309 PolarHBondContact O-N 2.95Å; K265-E311 HydrophobicContact CD-CG 4.31Å; K265-E311 HydrophobicContact CG-CB 4.01Å; K265-E311 HydrophobicContact CG-CG 3.96Å; K265-I314 HydrophobicContact CB-CD1 4.03Å
266M96.6Very high89.5Confident0 Ų046.5 Ų46.50%030%0.297CS..EExtended strand (participates in β ladder)trans-96.9133.8177.8-177.3-178.3-73.400110.6S181 P182 F186 I226 F228 H306 A307 L308S181-M266 VanDerWaalsContact CA-O 3.31Å; S181-M266 WeakPolarHBondContact CA-O 2.82Å; S181-M266 WeakPolarHBondContact CB-O 3.34Å; S181-M266 PolarHBondContact OG-O 3.49Å; S181-M266 VanDerWaalsContact OG-O 3.12Å; P182-M266 WeakPolarHBondContact CD-O 3.26Å; P182-M266 HydrophobicContact CG-CB 3.94Å; P182-M266 HydrophobicContact CG-CG 4.44Å; P182-M266 HydrophobicContact CG-SD 4.17Å; F186-M266 HydrophobicContact CD2-CB 4.01Å; F186-M266 HydrophobicContact CD2-CE 4.34Å; F186-M266 HydrophobicContact CE1-CE 4.13Å; F186-M266 HydrophobicContact CE2-CB 3.61Å; F186-M266 HydrophobicContact CE2-CE 3.72Å; F186-M266 HydrophobicContact CE2-SD 4.29Å; F186-M266 HydrophobicContact CZ-CE 3.61Å; F186-M266 HydrophobicContact CZ-SD 4.37Å; I226-M266 HydrophobicContact CD1-SD 3.85Å; F228-M266 HydrophobicContact CB-CE 3.95Å; F228-M266 HydrophobicContact CD1-CE 3.59Å; F228-M266 HydrophobicContact CD2-CE 3.49Å; F228-M266 VanDerWaalsContact CD2-CE 3.49Å; F228-M266 HydrophobicContact CD2-SD 4.3Å; F228-M266 HydrophobicContact CE1-CE 3.86Å; F228-M266 HydrophobicContact CE2-CE 3.76Å; F228-M266 HydrophobicContact CG-CE 3.39Å; F228-M266 HydrophobicContact CZ-CE 3.93Å; M266-H306 HydrophobicContact CE-CB 4.32Å; M266-H306 HydrophobicContact CG-CB 4.32Å; M266-H306 HydrophobicContact SD-CB 4.25Å; M266-A307 CarbonylContact C-O 3.57Å; M266-A307 WeakPolarHBondContact CA-O 3.44Å; M266-L308 HydrophobicContact CB-CD2 3.83Å; M266-L308 HydrophobicContact CE-CD2 4.14Å; M266-L308 HydrophobicContact CG-CD2 4.34Å
267V96.6Very high89.8Confident9 Ų946.9 Ų46.96%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-106.4110.2160.2-177.20000106.5L179 I269 A307 V309 V317 L321L179-V267 HydrophobicContact CB-CG1 4.25Å; L179-V267 HydrophobicContact CD1-CG1 4.33Å; L179-V267 HydrophobicContact CD2-CG1 4.15Å; L179-V267 HydrophobicContact CG-CG1 4.49Å; V267-I269 VanDerWaalsContact O-CD1 3.27Å; V267-I269 WeakPolarHBondContact O-CD1 3.16Å; V267-A307 HydrophobicContact CB-CB 4.42Å; V267-A307 PolarHBondContact N-O 3.32Å; V267-A307 PolarHBondContact O-N 3.49Å; V267-V309 HydrophobicContact CG2-CG2 4.38Å; V267-V317 HydrophobicContact CG2-CG1 3.9Å; V267-L321 HydrophobicContact CG1-CD1 4.16Å
268R96.5Very high90.3Very high28 Ų2847.4 Ų47.411%0.10630%0.303CS..EExtended strand (participates in β ladder)trans-89.7133.8174.5-179.4176.8172.8-172-4.1109.4E49 L179 S180E49-R268 IonicContact OE1-CZ 2.74Å; E49-R268 VanDerWaalsContact OE1-CZ 3.28Å; E49-R268 IonicContact OE1-NH1 3.29Å; E49-R268 PolarHBondContact OE1-NH1 3.23Å; E49-R268 IonicContact OE1-NH2 2.75Å; E49-R268 PolarHBondContact OE1-NH2 2.79Å; E49-R268 IonicContact OE2-CZ 2.76Å; E49-R268 IonicContact OE2-NH1 3.22Å; E49-R268 IonicContact OE2-NH2 2.79Å; E49-R268 PolarHBondContact OE2-NH2 2.67Å; L179-R268 WeakPolarHBondContact CA-O 3.48Å; S180-R268 PolarHBondContact N-O 3.4Å; S180-R268 PolarHBondContact O-N 2.87Å
269I96.9Very high91.3Very high1 Ų146.7 Ų46.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-114.2128.4-174.3-55.4100.9000109.6H177 L179 V267 I281 I285 Y298 D305 A307H177-I269 HydrophobicContact CB-CG2 3.83Å; L179-I269 HydrophobicContact CD2-CB 4.2Å; L179-I269 HydrophobicContact CD2-CG1 3.65Å; L179-I269 HydrophobicContact CD2-CG2 4.14Å; V267-I269 VanDerWaalsContact O-CD1 3.27Å; V267-I269 WeakPolarHBondContact O-CD1 3.16Å; I269-I281 HydrophobicContact CG2-CG2 4.06Å; I269-I285 HydrophobicContact CD1-CG1 4.23Å; I269-I285 HydrophobicContact CG1-CD1 3.92Å; I269-I285 HydrophobicContact CG1-CG1 3.95Å; I269-Y298 HydrophobicContact CD1-CE2 4.33Å; I269-D305 HydrophobicContact CB-CB 4.05Å; I269-D305 HydrophobicContact CD1-CB 4.01Å; I269-D305 WeakPolarHBondContact CD1-O 3.28Å; I269-D305 PolarHBondContact N-O 2.86Å; I269-D305 PolarHBondContact O-N 3.03Å; I269-A307 HydrophobicContact CD1-CB 4.25Å
270G94.3Very high92.8Very high7 Ų741.8 Ų41.87%0.07226%0.258CS..  trans106.9139.9179.100000112.9P178P178-G270 PolarHBondContact O-N 3.24Å
271G90.7Very high94Very high46 Ų4638.3 Ų38.347%0.47423%0.233SC..SBendtrans-109.5-9174.200000112.9P178P178-G271 VanDerWaalsContact CG-N 3.25Å
272Q94.1Very high95Very high150 Ų15036.4 Ų36.470%0.70121%0.212SC*.SBendtrans-140.8162.7170.9-66.3-62.1-32.900106.9L274 F304Q272-L274 PolarHBondContact O-N 2.9Å; Q272-F304 VanDerWaalsContact C-CE1 3.46Å; Q272-F304 VanDerWaalsContact O-CE1 3.27Å; Q272-F304 WeakPolarHBondContact O-CE1 3.28Å
273P96.1Very high95.4Very high74 Ų7434.4 Ų34.448%0.48120%0.203SC..  trans-51.5126.6175.7-28.136.3000112.2G275 K303P273-G275 VanDerWaalsContact C-N 3.33Å; P273-K303 CarbonylContact C-O 3.41Å; P273-K303 VanDerWaalsContact CA-O 3.24Å; P273-K303 WeakPolarHBondContact CA-O 3.2Å; P273-K303 HydrophobicContact CB-CB 4.19Å; P273-K303 HydrophobicContact CB-CG 4.26Å; P273-K303 HydrophobicContact CG-CB 4.33Å; P273-K303 HydrophobicContact CG-CG 4.2Å
274L96.2Very high95.4Very high21 Ų2133.2 Ų33.211%0.1120%0.196CC..  trans-72.5-27.4-176.2-62.8172.2000112.6Q272 I281 K303 D305Q272-L274 PolarHBondContact O-N 2.9Å; L274-I281 HydrophobicContact CB-CD1 4.02Å; L274-I281 HydrophobicContact CD1-CD1 4.15Å; L274-I281 HydrophobicContact CD1-CG2 4.31Å; L274-I281 HydrophobicContact CD2-CD1 4.13Å; L274-I281 HydrophobicContact CG-CD1 4.32Å; L274-K303 PolarHBondContact N-O 2.91Å; L274-D305 HydrophobicContact CD1-CB 3.96Å
275G95.2Very high95.4Very high42 Ų4233 Ų3343%0.43320%0.195SC..  trans72.5-165.2-172.300000112.4P273P273-G275 VanDerWaalsContact C-N 3.33Å
276F96.6Very high95.3Very high35 Ų3531.8 Ų31.815%0.15419%0.19CC..SBendtrans-118.9-6.7-172.3-61.2-82.2000114.2V12 A72 W76 S113 F115 F302V12-F276 HydrophobicContact CG1-CE1 4.04Å; V12-F276 HydrophobicContact CG1-CZ 4.32Å; A72-F276 HydrophobicContact CB-CD1 4.27Å; A72-F276 HydrophobicContact CB-CD2 4.05Å; A72-F276 HydrophobicContact CB-CE1 3.98Å; A72-F276 HydrophobicContact CB-CE2 3.75Å; A72-F276 HydrophobicContact CB-CG 4.31Å; A72-F276 HydrophobicContact CB-CZ 3.71Å; W76-F276 HydrophobicContact CH2-CB 4.35Å; W76-F276 HydrophobicContact CH2-CD1 4.13Å; W76-F276 HydrophobicContact CZ2-CB 4.18Å; W76-F276 AromaticContact CZ2-CD1 3.68Å; W76-F276 HydrophobicContact CZ2-CD1 3.68Å; W76-F276 HydrophobicContact CZ2-CE1 4.47Å; W76-F276 HydrophobicContact CZ2-CG 4.22Å; S113-F276 WeakPolarHBondContact CB-O 3.3Å; S113-F276 PolarHBondContact OG-O 3.14Å; F115-F276 HydrophobicContact CD2-CD1 4.06Å; F115-F276 AromaticContact CD2-CE1 3.91Å; F115-F276 HydrophobicContact CD2-CE1 3.91Å; F115-F276 HydrophobicContact CE2-CD1 4.25Å; F115-F276 AromaticContact CE2-CE1 3.67Å; F115-F276 HydrophobicContact CE2-CE1 3.67Å; F276-F302 HydrophobicContact CE2-CD1 4.43Å; F276-F302 HydrophobicContact CE2-CD2 4.2Å; F276-F302 HydrophobicContact CE2-CE1 4.16Å; F276-F302 AromaticContact CE2-CE2 3.92Å; F276-F302 HydrophobicContact CE2-CE2 3.92Å; F276-F302 HydrophobicContact CE2-CG 4.42Å; F276-F302 AromaticContact CE2-CZ 3.89Å; F276-F302 HydrophobicContact CE2-CZ 3.89Å; F276-F302 HydrophobicContact CZ-CD1 4.33Å; F276-F302 AromaticContact CZ-CD2 3.59Å; F276-F302 HydrophobicContact CZ-CD2 3.59Å; F276-F302 HydrophobicContact CZ-CE1 4.43Å; F276-F302 AromaticContact CZ-CE2 3.71Å; F276-F302 HydrophobicContact CZ-CE2 3.71Å; F276-F302 AromaticContact CZ-CG 3.9Å; F276-F302 HydrophobicContact CZ-CG 3.9Å; F276-F302 HydrophobicContact CZ-CZ 4.14Å
277D95.1Very high95.2Very high116 Ų11634.3 Ų34.362%0.6220%0.202SC*.SBendtrans-98.5-21.4-173.5-69.3-47.2000113.6R128 C279R128-D277 IonicContact CZ-OD1 3.02Å; R128-D277 IonicContact NH1-OD1 2.73Å; R128-D277 PolarHBondContact NH1-OD1 2.93Å; D277-C279 PolarHBondContact O-N 2.91Å; D277-C279 PolarHBondContact O-SG 3.18Å; D277-C279 VanDerWaalsContact O-SG 3.36Å
278E93.7Very high95Very high65 Ų6535 Ų3530%0.30421%0.207SC..  trans-69.5127.1179.5-170-178.1147.800110.8H177 I281H177-E278 IonicContact CD2-OE1 3.66Å; H177-E278 IonicContact CE1-OE1 3.56Å; H177-E278 IonicContact CE1-OE2 3.51Å; H177-E278 PolarHBondContact CE1-OE2 3.21Å; H177-E278 IonicContact NE2-OE1 2.75Å; H177-E278 PolarHBondContact NE2-OE1 3.15Å; H177-E278 IonicContact NE2-OE2 2.68Å; H177-E278 PolarHBondContact NE2-OE2 2.72Å; E278-I281 HydrophobicContact CB-CD1 3.86Å; E278-I281 HydrophobicContact CB-CG1 4.33Å; E278-I281 HydrophobicContact CG-CD1 3.95Å; E278-I281 HydrophobicContact CG-CG1 3.94Å; E278-I281 WeakPolarHBondContact OE1-CG1 3.39Å
279C93.9Very high95Very high33 Ų3333.7 Ų33.722%0.22320%0.202CC..  trans-100143.4-176-59.70000111.1N111 S113 D277N111-C279 HydrophobicContact CB-CB 4.41Å; N111-C279 PolarHBondContact O-SG 3.41Å; S113-C279 PolarHBondContact N-SG 3.13Å; S113-C279 VanDerWaalsContact N-SG 3.42Å; D277-C279 PolarHBondContact O-N 2.91Å; D277-C279 PolarHBondContact O-SG 3.18Å; D277-C279 VanDerWaalsContact O-SG 3.36Å
280G94.5Very high94.8Very high10 Ų1034.5 Ų34.510%0.10321%0.208CC..SBendtrans84.55.9172.400000116.1V282 A283 Q284G280-V282 VanDerWaalsContact C-N 3.33Å; G280-V282 PolarHBondContact O-N 3.31Å; G280-A283 WeakPolarHBondContact O-CB 3.32Å; G280-A283 PolarHBondContact O-N 3.34Å; G280-A283 VanDerWaalsContact O-N 3.1Å; G280-Q284 WeakPolarHBondContact O-CG 3.35Å; G280-Q284 PolarHBondContact O-N 2.73Å
281I96.1Very high94.7Very high13 Ų1338 Ų387%0.06724%0.237CC..Hα-helixtrans-55.2-49.7173.2-61.5175.9000110.6I269 L274 E278 A283 Q284 D305I269-I281 HydrophobicContact CG2-CG2 4.06Å; L274-I281 HydrophobicContact CB-CD1 4.02Å; L274-I281 HydrophobicContact CD1-CD1 4.15Å; L274-I281 HydrophobicContact CD1-CG2 4.31Å; L274-I281 HydrophobicContact CD2-CD1 4.13Å; L274-I281 HydrophobicContact CG-CD1 4.32Å; E278-I281 HydrophobicContact CB-CD1 3.86Å; E278-I281 HydrophobicContact CB-CG1 4.33Å; E278-I281 HydrophobicContact CG-CD1 3.95Å; E278-I281 HydrophobicContact CG-CG1 3.94Å; E278-I281 WeakPolarHBondContact OE1-CG1 3.39Å; I281-A283 VanDerWaalsContact C-N 3.27Å; I281-A283 PolarHBondContact O-N 3.18Å; I281-Q284 WeakPolarHBondContact O-CB 3.47Å; I281-Q284 PolarHBondContact O-N 2.68Å; I281-D305 WeakPolarHBondContact CG2-OD2 3.48Å
282V96.7Very high94.8Very high3 Ų338.1 Ų38.12%0.01823%0.233CC..Hα-helixtrans-62-36.9177.4-173.20000111.3I104 V114 M116 G280 I285 S286 Y298I104-V282 HydrophobicContact CD1-CG1 4.44Å; I104-V282 HydrophobicContact CG2-CB 3.95Å; I104-V282 HydrophobicContact CG2-CG1 3.85Å; V114-V282 HydrophobicContact CG2-CB 4.2Å; V114-V282 HydrophobicContact CG2-CG2 3.87Å; M116-V282 HydrophobicContact CG-CB 4.39Å; M116-V282 HydrophobicContact CG-CG1 3.77Å; M116-V282 HydrophobicContact CG-CG2 3.77Å; G280-V282 VanDerWaalsContact C-N 3.33Å; G280-V282 PolarHBondContact O-N 3.31Å; V282-I285 PolarHBondContact O-N 3.17Å; V282-S286 VanDerWaalsContact O-CB 3.29Å; V282-S286 WeakPolarHBondContact O-CB 3.39Å; V282-S286 PolarHBondContact O-N 3.46Å; V282-S286 PolarHBondContact O-OG 3.06Å; V282-Y298 HydrophobicContact CG1-CD2 4.31Å; V282-Y298 HydrophobicContact CG1-CE1 4.38Å; V282-Y298 HydrophobicContact CG1-CE2 4.2Å; V282-Y298 HydrophobicContact CG1-CG 4.45Å; V282-Y298 HydrophobicContact CG2-CD1 4.5Å; V282-Y298 HydrophobicContact CG2-CE1 3.86Å
283A95.4Very high94.7Very high0 Ų037.9 Ų37.90%024%0.237CC..Hα-helixtrans-64.9-44.2177.800000111.7I104 A108 G280 I281 I285 S286 E287I104-A283 HydrophobicContact CG2-CB 3.95Å; A108-A283 HydrophobicContact CB-CB 3.83Å; G280-A283 WeakPolarHBondContact O-CB 3.32Å; G280-A283 PolarHBondContact O-N 3.34Å; G280-A283 VanDerWaalsContact O-N 3.1Å; I281-A283 VanDerWaalsContact C-N 3.27Å; I281-A283 PolarHBondContact O-N 3.18Å; A283-I285 PolarHBondContact O-N 2.87Å; A283-S286 PolarHBondContact O-N 3.41Å; A283-E287 HydrophobicContact CB-CG 4.45Å; A283-E287 WeakPolarHBondContact O-CB 3.2Å; A283-E287 WeakPolarHBondContact O-CG 3.28Å; A283-E287 PolarHBondContact O-N 2.97Å
284Q94.8Very high94.5Very high13 Ų1334.7 Ų34.76%0.06122%0.216CC..Hα-helixtrans-54.8-27.9177.3-70.1169.333.700112.9R173 P174 V175 G280 I281 P288R173-Q284 HydrophobicContact CB-CG 3.95Å; P174-Q284 PolarHBondContact O-OE1 2.87Å; V175-Q284 HydrophobicContact CG2-CB 4.24Å; V175-Q284 VanDerWaalsContact CG2-O 3.28Å; V175-Q284 WeakPolarHBondContact CG2-O 3.5Å; G280-Q284 WeakPolarHBondContact O-CG 3.35Å; G280-Q284 PolarHBondContact O-N 2.73Å; I281-Q284 WeakPolarHBondContact O-CB 3.47Å; I281-Q284 PolarHBondContact O-N 2.68Å; Q284-P288 WeakPolarHBondContact O-CD 3.28Å; Q284-P288 WeakPolarHBondContact O-CG 3.46Å
285I95.7Very high94.3Very high2 Ų235.8 Ų35.81%0.0122%0.224CC..Hα-helixtrans-97-48.8178.7-53.5-59.6000111.7V175 L179 I269 V282 A283 P288 L289 Y298 A307 L321V175-I285 HydrophobicContact CG1-CD1 4.3Å; V175-I285 HydrophobicContact CG2-CD1 3.98Å; L179-I285 HydrophobicContact CD2-CD1 3.92Å; I269-I285 HydrophobicContact CD1-CG1 4.23Å; I269-I285 HydrophobicContact CG1-CD1 3.92Å; I269-I285 HydrophobicContact CG1-CG1 3.95Å; V282-I285 PolarHBondContact O-N 3.17Å; A283-I285 PolarHBondContact O-N 2.87Å; I285-P288 WeakPolarHBondContact O-CD 3.35Å; I285-L289 HydrophobicContact CG2-CD1 3.98Å; I285-L289 WeakPolarHBondContact O-CG 3.33Å; I285-L289 PolarHBondContact O-N 2.98Å; I285-Y298 HydrophobicContact CB-CE2 4Å; I285-Y298 HydrophobicContact CG1-CE2 4.35Å; I285-Y298 HydrophobicContact CG2-CE2 4.04Å; I285-A307 HydrophobicContact CG2-CB 4.07Å; I285-L321 HydrophobicContact CD1-CD2 4.17Å; I285-L321 HydrophobicContact CG2-CD2 4.43Å
286S95.1Very high94.3Very high0 Ų033.8 Ų33.80%020%0.204CC..Hα-helixtrans-73.3-30.7-172.260.30000113.5V282 A283 A290V282-S286 VanDerWaalsContact O-CB 3.29Å; V282-S286 WeakPolarHBondContact O-CB 3.39Å; V282-S286 PolarHBondContact O-N 3.46Å; V282-S286 PolarHBondContact O-OG 3.06Å; A283-S286 PolarHBondContact O-N 3.41Å; S286-A290 WeakPolarHBondContact O-CB 3.48Å; S286-A290 PolarHBondContact O-N 3.32Å
287E94Very high94.2Very high52 Ų5232.8 Ų32.824%0.24320%0.199CC..Hα-helixtrans-68.5-49.3179.5-68.3179.3109.800112.9A105 R173 A283 L289 A290 A291A105-E287 HydrophobicContact CB-CG 4.17Å; A105-E287 WeakPolarHBondContact CB-OE1 3.16Å; R173-E287 IonicContact CZ-OE2 2.86Å; R173-E287 IonicContact NH1-OE1 3.7Å; R173-E287 PolarHBondContact NH1-OE1 3.21Å; R173-E287 IonicContact NH1-OE2 3.67Å; R173-E287 PolarHBondContact NH1-OE2 3.02Å; A283-E287 HydrophobicContact CB-CG 4.45Å; A283-E287 WeakPolarHBondContact O-CB 3.2Å; A283-E287 WeakPolarHBondContact O-CG 3.28Å; A283-E287 PolarHBondContact O-N 2.97Å; E287-L289 VanDerWaalsContact C-N 3.28Å; E287-L289 PolarHBondContact O-N 2.92Å; E287-A290 PolarHBondContact O-N 3.47Å; E287-A291 WeakPolarHBondContact O-CB 3.4Å; E287-A291 PolarHBondContact O-N 2.93Å
288P94.2Very high94.3Very high24 Ų2427.3 Ų27.316%0.15617%0.17CC..Hα-helixtrans-60.4-37.7174.5-24.434.3000112.9Q284 I285 A291 A292 A320 L321Q284-P288 WeakPolarHBondContact O-CD 3.28Å; Q284-P288 WeakPolarHBondContact O-CG 3.46Å; I285-P288 WeakPolarHBondContact O-CD 3.35Å; P288-A291 PolarHBondContact O-N 3.09Å; P288-A292 WeakPolarHBondContact O-CB 3.17Å; P288-A292 PolarHBondContact O-N 3.33Å; P288-A292 VanDerWaalsContact O-N 3.09Å; P288-A320 HydrophobicContact CB-CB 4.19Å; P288-L321 HydrophobicContact CB-CD2 4.29Å; P288-L321 HydrophobicContact CG-CD2 4.4Å
289L94.7Very high94.5Very high1 Ų124.3 Ų24.31%0.00516%0.156CC..Hα-helixtrans-66.3-40.3176.1-65.8-178.8000111.6I285 E287 A292 D293 I294 A296 V309 V317I285-L289 HydrophobicContact CG2-CD1 3.98Å; I285-L289 WeakPolarHBondContact O-CG 3.33Å; I285-L289 PolarHBondContact O-N 2.98Å; E287-L289 VanDerWaalsContact C-N 3.28Å; E287-L289 PolarHBondContact O-N 2.92Å; L289-A292 CarbonylContact O-C 3.53Å; L289-A292 PolarHBondContact O-N 2.98Å; L289-A292 VanDerWaalsContact O-N 3.17Å; L289-D293 PolarHBondContact O-N 3.46Å; L289-I294 HydrophobicContact CB-CB 4.43Å; L289-I294 HydrophobicContact CD2-CB 4.2Å; L289-I294 HydrophobicContact CD2-CD1 4.27Å; L289-I294 HydrophobicContact CD2-CG2 4.24Å; L289-I294 PolarHBondContact O-N 3.09Å; L289-A296 HydrophobicContact CD1-CB 3.98Å; L289-V309 HydrophobicContact CD1-CG1 3.96Å; L289-V317 HydrophobicContact CD2-CB 4.21Å; L289-V317 HydrophobicContact CD2-CG1 4.06Å; L289-V317 HydrophobicContact CD2-CG2 3.78Å
290A93Very high94.8Very high17 Ų1722.8 Ų22.814%0.1415%0.145CC..Hα-helixtrans-68.9-33.2175.500000113.3T97 A100 S286 E287 A292 D293T97-A290 HydrophobicContact CG2-CB 3.55Å; T97-A290 WeakPolarHBondContact O-CB 3.45Å; A100-A290 HydrophobicContact CB-CB 3.87Å; S286-A290 WeakPolarHBondContact O-CB 3.48Å; S286-A290 PolarHBondContact O-N 3.32Å; E287-A290 PolarHBondContact O-N 3.47Å; A290-A292 VanDerWaalsContact C-N 3.25Å; A290-A292 PolarHBondContact O-N 3.31Å; A290-D293 PolarHBondContact O-N 3.16Å
291A92.5Very high95Very high82 Ų8222.5 Ų22.568%0.67814%0.142SC*.Hα-helixtrans-66.3-31.1171.500000112.1E287 P288E287-A291 WeakPolarHBondContact O-CB 3.4Å; E287-A291 PolarHBondContact O-N 2.93Å; P288-A291 PolarHBondContact O-N 3.09Å
292A92.8Very high95Very high48 Ų4823.6 Ų23.640%0.39715%0.146SC..THydrogen-bonded Turntrans-90.62.2177.400000114.3P288 L289 A290 I294 A320P288-A292 WeakPolarHBondContact O-CB 3.17Å; P288-A292 PolarHBondContact O-N 3.33Å; P288-A292 VanDerWaalsContact O-N 3.09Å; L289-A292 CarbonylContact O-C 3.53Å; L289-A292 PolarHBondContact O-N 2.98Å; L289-A292 VanDerWaalsContact O-N 3.17Å; A290-A292 VanDerWaalsContact C-N 3.25Å; A290-A292 PolarHBondContact O-N 3.31Å; A292-I294 VanDerWaalsContact C-N 3.26Å; A292-I294 HydrophobicContact CB-CD1 3.77Å; A292-I294 HydrophobicContact CB-CG1 3.94Å; A292-I294 PolarHBondContact O-N 3.25Å; A292-A320 HydrophobicContact CB-CB 4.42Å
293D91.8Very high95.1Very high145 Ų14526.1 Ų26.178%0.77516%0.157SC*.THydrogen-bonded Turntrans55.337.8-175.1-160.234.8000113.7L289 A290L289-D293 PolarHBondContact O-N 3.46Å; A290-D293 PolarHBondContact O-N 3.16Å
294I93.5Very high95.2Very high6 Ų626.8 Ų26.83%0.03116%0.16CC..  trans-101.4117179.1-60.3172.2000108.9T97 L289 A292 V309 N313 V317T97-I294 WeakPolarHBondContact CB-O 3.22Å; T97-I294 WeakPolarHBondContact CG2-O 3.18Å; T97-I294 PolarHBondContact OG1-O 3.22Å; L289-I294 HydrophobicContact CB-CB 4.43Å; L289-I294 HydrophobicContact CD2-CB 4.2Å; L289-I294 HydrophobicContact CD2-CD1 4.27Å; L289-I294 HydrophobicContact CD2-CG2 4.24Å; L289-I294 PolarHBondContact O-N 3.09Å; A292-I294 VanDerWaalsContact C-N 3.26Å; A292-I294 HydrophobicContact CB-CD1 3.77Å; A292-I294 HydrophobicContact CB-CG1 3.94Å; A292-I294 PolarHBondContact O-N 3.25Å; I294-V309 HydrophobicContact CG2-CG1 4.46Å; I294-N313 HydrophobicContact CD1-CB 4.41Å; I294-N313 HydrophobicContact CG1-CB 4.4Å; I294-N313 HydrophobicContact CG2-CB 3.94Å; I294-V317 HydrophobicContact CD1-CG2 3.93Å; I294-V317 HydrophobicContact CG2-CG2 3.87Å
295P92Very high95.4Very high44 Ų4426.8 Ų26.829%0.28616%0.16SC..  trans-68.5150.8176.830.4-34.3000110.5P310P295-P310 HydrophobicContact CG-CG 3.67Å; P295-P310 VanDerWaalsContact O-CD 3.26Å; P295-P310 WeakPolarHBondContact O-CD 3.21Å
296A94.1Very high95.5Very high1 Ų126.7 Ų26.71%0.00816%0.16CC..  trans-146.4141.6175.400000111.5G95 V96 T97 L289 L308 V309G95-A296 CarbonylContact C-O 3.53Å; G95-A296 WeakPolarHBondContact CA-O 3.24Å; V96-A296 HydrophobicContact CG2-CB 4.05Å; V96-A296 PolarHBondContact N-O 3Å; T97-A296 PolarHBondContact OG1-N 3.16Å; L289-A296 HydrophobicContact CD1-CB 3.98Å; A296-L308 CarbonylContact C-O 3.55Å; A296-L308 WeakPolarHBondContact CA-O 3.29Å; A296-V309 HydrophobicContact CB-CG1 4.13Å
297Y95.1Very high95.6Very high13 Ų1326.7 Ų26.75%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-93.7144.6159-67-102.1000108.2P93 T119 V188 W264 A307 L308P93-Y297 HydrophobicContact CB-CE2 4.17Å; P93-Y297 WeakPolarHBondContact CB-OH 3.24Å; T119-Y297 VanDerWaalsContact O-CE1 3.31Å; T119-Y297 WeakPolarHBondContact O-CE1 3.48Å; V188-Y297 HydrophobicContact CB-CE2 4.44Å; V188-Y297 HydrophobicContact CG1-CD1 4.15Å; V188-Y297 HydrophobicContact CG1-CE1 3.78Å; V188-Y297 HydrophobicContact CG2-CD1 4.49Å; V188-Y297 HydrophobicContact CG2-CD2 4.07Å; V188-Y297 HydrophobicContact CG2-CE2 4.16Å; V188-Y297 HydrophobicContact CG2-CG 4.24Å; W264-Y297 HydrophobicContact CD2-CD2 4.36Å; W264-Y297 AromaticContact CE3-CD2 3.97Å; W264-Y297 HydrophobicContact CE3-CD2 3.97Å; W264-Y297 HydrophobicContact CE3-CE2 4.42Å; W264-Y297 AromaticContact CH2-CD2 3.67Å; W264-Y297 HydrophobicContact CH2-CD2 3.67Å; W264-Y297 AromaticContact CH2-CE2 3.44Å; W264-Y297 HydrophobicContact CH2-CE2 3.44Å; W264-Y297 VanDerWaalsContact CH2-CE2 3.44Å; W264-Y297 HydrophobicContact CZ2-CD2 4.04Å; W264-Y297 AromaticContact CZ2-CE2 3.52Å; W264-Y297 HydrophobicContact CZ2-CE2 3.52Å; W264-Y297 AromaticContact CZ3-CD2 3.61Å; W264-Y297 HydrophobicContact CZ3-CD2 3.61Å; W264-Y297 AromaticContact CZ3-CE2 3.9Å; W264-Y297 HydrophobicContact CZ3-CE2 3.9Å; Y297-A307 CarbonylContact O-C 3.56Å; Y297-A307 WeakPolarHBondContact O-CA 3.21Å; Y297-L308 PolarHBondContact N-O 2.79Å; Y297-L308 PolarHBondContact O-N 3.39Å
298Y97.5Very high95.7Very high1 Ų124.3 Ų24.30%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-132122.9-177.3-151.3-75000110.7V96 M116 S118 I269 V282 I285 D305 H306 A307V96-Y298 VanDerWaalsContact CG1-CB 3.48Å; V96-Y298 HydrophobicContact CG2-CD2 4.21Å; V96-Y298 HydrophobicContact CG2-CG 4.49Å; M116-Y298 HydrophobicContact CB-CD1 3.71Å; M116-Y298 HydrophobicContact CB-CG 4.3Å; M116-Y298 HydrophobicContact CG-CD1 4.15Å; S118-Y298 VanDerWaalsContact CB-N 3.35Å; S118-Y298 WeakPolarHBondContact CB-O 3.44Å; S118-Y298 PolarHBondContact N-O 3.12Å; S118-Y298 PolarHBondContact OG-N 2.96Å; S118-Y298 PolarHBondContact OG-O 3.4Å; S118-Y298 VanDerWaalsContact OG-O 3.12Å; I269-Y298 HydrophobicContact CD1-CE2 4.33Å; V282-Y298 HydrophobicContact CG1-CD2 4.31Å; V282-Y298 HydrophobicContact CG1-CE1 4.38Å; V282-Y298 HydrophobicContact CG1-CE2 4.2Å; V282-Y298 HydrophobicContact CG1-CG 4.45Å; V282-Y298 HydrophobicContact CG2-CD1 4.5Å; V282-Y298 HydrophobicContact CG2-CE1 3.86Å; I285-Y298 HydrophobicContact CB-CE2 4Å; I285-Y298 HydrophobicContact CG1-CE2 4.35Å; I285-Y298 HydrophobicContact CG2-CE2 4.04Å; Y298-D305 HydrophobicContact CE1-CB 3.52Å; Y298-D305 VanDerWaalsContact CE1-CG 3.48Å; Y298-D305 WeakPolarHBondContact CE1-OD2 3.45Å; Y298-D305 VanDerWaalsContact OH-CB 3.3Å; Y298-D305 WeakPolarHBondContact OH-CB 3.48Å; Y298-D305 PolarHBondContact OH-OD2 2.94Å; Y298-D305 VanDerWaalsContact OH-OD2 3.08Å; Y298-H306 WeakPolarHBondContact CA-O 3.33Å; Y298-A307 HydrophobicContact CD2-CB 3.87Å; Y298-A307 HydrophobicContact CE2-CB 4.03Å
299I98.3Very high95.8Very high2 Ų223.2 Ų23.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-122.7107.8178-60.6174.7000107.8T45 L117 F228 V241 T301 H306T45-I299 HydrophobicContact CG2-CG2 4.12Å; L117-I299 HydrophobicContact CD1-CG2 4.48Å; F228-I299 HydrophobicContact CE1-CD1 4.25Å; F228-I299 HydrophobicContact CZ-CB 4.34Å; F228-I299 HydrophobicContact CZ-CD1 4.11Å; F228-I299 HydrophobicContact CZ-CG2 4.26Å; V241-I299 HydrophobicContact CB-CD1 4.32Å; V241-I299 HydrophobicContact CG1-CD1 4.44Å; V241-I299 HydrophobicContact CG2-CD1 3.95Å; I299-T301 HydrophobicContact CG2-CG2 4.36Å; I299-H306 PolarHBondContact N-O 3.49Å; I299-H306 PolarHBondContact O-N 3.5Å; I299-H306 PolarHBondContact O-ND1 3.14Å; I299-H306 VanDerWaalsContact O-ND1 3.15Å
300S98.5Very high95.8Very high1 Ų123.1 Ų23.11%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-76.5137.2166-65.70000109.5F115 M116 D305F115-S300 VanDerWaalsContact CE1-CB 3.49Å; F115-S300 WeakPolarHBondContact CE1-O 3.49Å; F115-S300 VanDerWaalsContact CZ-CB 3.46Å; F115-S300 WeakPolarHBondContact CZ-O 3.21Å; M116-S300 PolarHBondContact N-OG 3.17Å; M116-S300 VanDerWaalsContact N-OG 3.14Å; M116-S300 WeakPolarHBondContact O-CB 3.27Å; M116-S300 PolarHBondContact O-N 3.2Å; S300-D305 VanDerWaalsContact CA-OD1 3.24Å; S300-D305 WeakPolarHBondContact CA-OD1 3.28Å; S300-D305 WeakPolarHBondContact CB-OD1 3.43Å; S300-D305 PolarHBondContact OG-OD1 2.93Å
301T98.5Very high95.9Very high4 Ų425.6 Ų25.63%0.02515%0.149CC..  trans-118.3170.8171.277.60000109.2T45 T47 T52 F115 I299 K303 F304 H306T45-T301 HydrophobicContact CG2-CG2 3.83Å; T47-T301 HydrophobicContact CG2-CG2 3.77Å; T52-T301 WeakPolarHBondContact OG1-CB 3.35Å; F115-T301 WeakPolarHBondContact CE2-O 3.38Å; I299-T301 HydrophobicContact CG2-CG2 4.36Å; T301-K303 PolarHBondContact O-N 3.11Å; T301-F304 WeakPolarHBondContact CA-O 3.39Å; T301-F304 PolarHBondContact N-O 3.25Å; T301-F304 PolarHBondContact OG1-N 3.26Å; T301-F304 VanDerWaalsContact OG1-N 3.16Å; T301-F304 PolarHBondContact OG1-O 3.47Å; T301-H306 VanDerWaalsContact CG2-CE1 3.45Å; T301-H306 WeakPolarHBondContact CG2-CE1 3.33Å; T301-H306 PolarHBondContact OG1-CE1 3.27Å
302F98.1Very high96Very high37 Ų3727.8 Ų27.816%0.16215%0.146CC..SBendtrans-56.1-25.7-177.6-162.9-85.5000113.2V12 T52 A72 F276V12-F302 HydrophobicContact CG1-CD2 4.29Å; T52-F302 HydrophobicContact CG2-CB 4.24Å; T52-F302 WeakPolarHBondContact OG1-CB 3.49Å; T52-F302 PolarHBondContact OG1-N 3.35Å; A72-F302 HydrophobicContact CB-CE2 4.39Å; F276-F302 HydrophobicContact CE2-CD1 4.43Å; F276-F302 HydrophobicContact CE2-CD2 4.2Å; F276-F302 HydrophobicContact CE2-CE1 4.16Å; F276-F302 AromaticContact CE2-CE2 3.92Å; F276-F302 HydrophobicContact CE2-CE2 3.92Å; F276-F302 HydrophobicContact CE2-CG 4.42Å; F276-F302 AromaticContact CE2-CZ 3.89Å; F276-F302 HydrophobicContact CE2-CZ 3.89Å; F276-F302 HydrophobicContact CZ-CD1 4.33Å; F276-F302 AromaticContact CZ-CD2 3.59Å; F276-F302 HydrophobicContact CZ-CD2 3.59Å; F276-F302 HydrophobicContact CZ-CE1 4.43Å; F276-F302 AromaticContact CZ-CE2 3.71Å; F276-F302 HydrophobicContact CZ-CE2 3.71Å; F276-F302 AromaticContact CZ-CG 3.9Å; F276-F302 HydrophobicContact CZ-CG 3.9Å; F276-F302 HydrophobicContact CZ-CZ 4.14Å
303K97.6Very high96Very high56 Ų5628.1 Ų28.124%0.24314%0.141CC..SBendtrans-112.9-37.3-178.4-64.1175.4-177.9169.50113.3E49 D50 P273 L274 T301E49-K303 HydrophobicContact CB-CD 3.8Å; E49-K303 PolarHBondContact O-NZ 2.8Å; E49-K303 VanDerWaalsContact O-NZ 3.14Å; D50-K303 WeakPolarHBondContact OD2-CD 3.46Å; D50-K303 WeakPolarHBondContact OD2-CE 3.46Å; D50-K303 IonicContact OD2-NZ 2.85Å; P273-K303 CarbonylContact C-O 3.41Å; P273-K303 VanDerWaalsContact CA-O 3.24Å; P273-K303 WeakPolarHBondContact CA-O 3.2Å; P273-K303 HydrophobicContact CB-CB 4.19Å; P273-K303 HydrophobicContact CB-CG 4.26Å; P273-K303 HydrophobicContact CG-CB 4.33Å; P273-K303 HydrophobicContact CG-CG 4.2Å; L274-K303 PolarHBondContact N-O 2.91Å; T301-K303 PolarHBondContact O-N 3.11Å
304F98Very high96.1Very high13 Ų1322.9 Ų22.96%0.05711%0.113CC..  trans-141.7159.8-167.1-59.4-76.1000112.1E49 Q272 T301 H306E49-F304 HydrophobicContact CG-CE2 3.95Å; Q272-F304 VanDerWaalsContact C-CE1 3.46Å; Q272-F304 VanDerWaalsContact O-CE1 3.27Å; Q272-F304 WeakPolarHBondContact O-CE1 3.28Å; T301-F304 WeakPolarHBondContact CA-O 3.39Å; T301-F304 PolarHBondContact N-O 3.25Å; T301-F304 PolarHBondContact OG1-N 3.26Å; T301-F304 VanDerWaalsContact OG1-N 3.16Å; T301-F304 PolarHBondContact OG1-O 3.47Å; F304-H306 PolarHBondContact O-CE1 2.76Å; F304-H306 PolarHBondContact O-ND1 2.81Å
305D98.2Very high96Very high13 Ų1328.3 Ų28.37%0.0714%0.142CC..EExtended strand (participates in β ladder)trans-104.4148173.5-78.6-8000110.7I269 L274 I281 Y298 S300I269-D305 HydrophobicContact CB-CB 4.05Å; I269-D305 HydrophobicContact CD1-CB 4.01Å; I269-D305 WeakPolarHBondContact CD1-O 3.28Å; I269-D305 PolarHBondContact N-O 2.86Å; I269-D305 PolarHBondContact O-N 3.03Å; L274-D305 HydrophobicContact CD1-CB 3.96Å; I281-D305 WeakPolarHBondContact CG2-OD2 3.48Å; Y298-D305 HydrophobicContact CE1-CB 3.52Å; Y298-D305 VanDerWaalsContact CE1-CG 3.48Å; Y298-D305 WeakPolarHBondContact CE1-OD2 3.45Å; Y298-D305 VanDerWaalsContact OH-CB 3.3Å; Y298-D305 WeakPolarHBondContact OH-CB 3.48Å; Y298-D305 PolarHBondContact OH-OD2 2.94Å; Y298-D305 VanDerWaalsContact OH-OD2 3.08Å; S300-D305 VanDerWaalsContact CA-OD1 3.24Å; S300-D305 WeakPolarHBondContact CA-OD1 3.28Å; S300-D305 WeakPolarHBondContact CB-OD1 3.43Å; S300-D305 PolarHBondContact OG-OD1 2.93Å
306H98Very high96.1Very high1 Ų127.8 Ų27.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-136.7112.5-175.9-48.578.3000109.3F228 M266 Y298 I299 T301 F304F228-H306 HydrophobicContact CE2-CB 4.07Å; F228-H306 AromaticContact CE2-CD2 3.66Å; F228-H306 AromaticContact CE2-CG 3.58Å; F228-H306 AromaticContact CE2-ND1 3.85Å; F228-H306 AromaticContact CE2-NE2 4Å; F228-H306 HydrophobicContact CZ-CB 4.31Å; M266-H306 HydrophobicContact CE-CB 4.32Å; M266-H306 HydrophobicContact CG-CB 4.32Å; M266-H306 HydrophobicContact SD-CB 4.25Å; Y298-H306 WeakPolarHBondContact CA-O 3.33Å; I299-H306 PolarHBondContact N-O 3.49Å; I299-H306 PolarHBondContact O-N 3.5Å; I299-H306 PolarHBondContact O-ND1 3.14Å; I299-H306 VanDerWaalsContact O-ND1 3.15Å; T301-H306 VanDerWaalsContact CG2-CE1 3.45Å; T301-H306 WeakPolarHBondContact CG2-CE1 3.33Å; T301-H306 PolarHBondContact OG1-CE1 3.27Å; F304-H306 PolarHBondContact O-CE1 2.76Å; F304-H306 PolarHBondContact O-ND1 2.81Å
307A97.4Very high96.1Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-97.9123.2171.800000109.5M266 V267 I269 I285 Y297 Y298M266-A307 CarbonylContact C-O 3.57Å; M266-A307 WeakPolarHBondContact CA-O 3.44Å; V267-A307 HydrophobicContact CB-CB 4.42Å; V267-A307 PolarHBondContact N-O 3.32Å; V267-A307 PolarHBondContact O-N 3.49Å; I269-A307 HydrophobicContact CD1-CB 4.25Å; I285-A307 HydrophobicContact CG2-CB 4.07Å; Y297-A307 CarbonylContact O-C 3.56Å; Y297-A307 WeakPolarHBondContact O-CA 3.21Å; Y298-A307 HydrophobicContact CD2-CB 3.87Å; Y298-A307 HydrophobicContact CE2-CB 4.03Å
308L97Very high95.9Very high2 Ų230.6 Ų30.61%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-95126.3168.6-68.3172.6000109F186 V188 V241 W264 K265 M266 A296 Y297F186-L308 HydrophobicContact CB-CD2 3.91Å; F186-L308 HydrophobicContact CD2-CD2 3.73Å; F186-L308 HydrophobicContact CE2-CD2 4.47Å; F186-L308 HydrophobicContact CG-CD2 3.91Å; V188-L308 HydrophobicContact CG2-CD1 4.03Å; V241-L308 HydrophobicContact CG1-CD1 3.42Å; V241-L308 VanDerWaalsContact CG1-CD1 3.42Å; W264-L308 HydrophobicContact CB-CB 4.15Å; W264-L308 HydrophobicContact CB-CD2 4.24Å; W264-L308 HydrophobicContact CE3-CB 4.08Å; K265-L308 WeakPolarHBondContact O-CA 3.39Å; M266-L308 HydrophobicContact CB-CD2 3.83Å; M266-L308 HydrophobicContact CE-CD2 4.14Å; M266-L308 HydrophobicContact CG-CD2 4.34Å; A296-L308 CarbonylContact C-O 3.55Å; A296-L308 WeakPolarHBondContact CA-O 3.29Å; Y297-L308 PolarHBondContact N-O 2.79Å; Y297-L308 PolarHBondContact O-N 3.39Å
309V95.8Very high95.6Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-124.1151.7179.7-67.40000109.6W264 K265 V267 L289 I294 A296 E311 I314 V317W264-V309 CarbonylContact C-O 3.44Å; W264-V309 VanDerWaalsContact CA-O 3.28Å; W264-V309 WeakPolarHBondContact CA-O 3.34Å; K265-V309 HydrophobicContact CB-CG2 4.33Å; K265-V309 PolarHBondContact N-O 3.42Å; K265-V309 WeakPolarHBondContact O-CG2 3.24Å; K265-V309 PolarHBondContact O-N 2.95Å; V267-V309 HydrophobicContact CG2-CG2 4.38Å; L289-V309 HydrophobicContact CD1-CG1 3.96Å; I294-V309 HydrophobicContact CG2-CG1 4.46Å; A296-V309 HydrophobicContact CB-CG1 4.13Å; V309-E311 PolarHBondContact O-N 2.74Å; V309-I314 HydrophobicContact CG2-CD1 4.36Å; V309-V317 HydrophobicContact CB-CG2 3.85Å; V309-V317 HydrophobicContact CG1-CG1 4.49Å; V309-V317 HydrophobicContact CG1-CG2 3.87Å; V309-V317 HydrophobicContact CG2-CG1 4.39Å; V309-V317 HydrophobicContact CG2-CG2 3.84Å
310P94.9Very high95.3Very high0 Ų034.8 Ų34.80%019%0.19CC..EExtended strand (participates in β ladder)trans-57.4138.6177.1-22.932.5000111.1E262 W264 P295 E312 N313E262-P310 HydrophobicContact CG-CB 4.5Å; W264-P310 HydrophobicContact CE3-CG 4.39Å; W264-P310 HydrophobicContact CH2-CG 4Å; W264-P310 HydrophobicContact CZ3-CG 3.85Å; P295-P310 HydrophobicContact CG-CG 3.67Å; P295-P310 VanDerWaalsContact O-CD 3.26Å; P295-P310 WeakPolarHBondContact O-CD 3.21Å; P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 HydrophobicContact CB-CG 4.25Å; P310-E312 WeakPolarHBondContact CB-OE2 3.47Å; P310-E312 PolarHBondContact O-N 2.94Å; P310-N313 HydrophobicContact CB-CB 4.38Å; P310-N313 WeakPolarHBondContact CB-OD1 3.48Å; P310-N313 PolarHBondContact O-N 2.79Å
311E94.8Very high94.9Very high68 Ų6835 Ų3532%0.31819%0.191SC..G310 helixtrans-58.8-39.8-176.3177.7169.3-134.200112R185 L263 K265 V309 N313 I314R185-E311 WeakPolarHBondContact CD-OE1 3.42Å; R185-E311 WeakPolarHBondContact CG-OE1 3.28Å; L263-E311 HydrophobicContact CB-CB 4.36Å; L263-E311 WeakPolarHBondContact O-CB 3.17Å; L263-E311 PolarHBondContact O-N 2.74Å; K265-E311 HydrophobicContact CD-CG 4.31Å; K265-E311 HydrophobicContact CG-CB 4.01Å; K265-E311 HydrophobicContact CG-CG 3.96Å; V309-E311 PolarHBondContact O-N 2.74Å; E311-N313 PolarHBondContact O-N 3.45Å; E311-I314 VanDerWaalsContact O-CG2 3.3Å; E311-I314 WeakPolarHBondContact O-CG2 3.34Å; E311-I314 PolarHBondContact O-N 3.29Å
312E93.8Very high94.3Very high129 Ų12941.2 Ų41.260%0.60322%0.218SC*.G310 helixtrans-62.3-25.5176.964.4-93.1-135.700113.3P310P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 HydrophobicContact CB-CG 4.25Å; P310-E312 WeakPolarHBondContact CB-OE2 3.47Å; P310-E312 PolarHBondContact O-N 2.94Å
313N94.1Very high93.4Very high55 Ų5543.7 Ų43.729%0.29424%0.236SC..G310 helixtrans-92-0.7-177.2-68.7117000113.5I294 P310 E311 N315 G316 V317I294-N313 HydrophobicContact CD1-CB 4.41Å; I294-N313 HydrophobicContact CG1-CB 4.4Å; I294-N313 HydrophobicContact CG2-CB 3.94Å; P310-N313 HydrophobicContact CB-CB 4.38Å; P310-N313 WeakPolarHBondContact CB-OD1 3.48Å; P310-N313 PolarHBondContact O-N 2.79Å; E311-N313 PolarHBondContact O-N 3.45Å; N313-N315 VanDerWaalsContact C-N 3.25Å; N313-N315 PolarHBondContact O-N 3.07Å; N313-N315 VanDerWaalsContact O-N 3.11Å; N313-G316 CarbonylContact O-C 3.5Å; N313-G316 WeakPolarHBondContact O-CA 3.45Å; N313-G316 PolarHBondContact O-N 3.21Å; N313-V317 WeakPolarHBondContact O-CG2 3.25Å; N313-V317 PolarHBondContact O-N 2.83Å
314I92.5Very high92.4Very high35 Ų3541.5 Ų41.518%0.17923%0.227CC..Hα-helixtrans-55.1-37.5-172.3-168.457.9000113.8K265 V309 E311 V317 I318K265-I314 HydrophobicContact CB-CD1 4.03Å; V309-I314 HydrophobicContact CG2-CD1 4.36Å; E311-I314 VanDerWaalsContact O-CG2 3.3Å; E311-I314 WeakPolarHBondContact O-CG2 3.34Å; E311-I314 PolarHBondContact O-N 3.29Å; I314-V317 PolarHBondContact O-N 3.17Å; I314-I318 HydrophobicContact CG1-CD1 4.22Å; I314-I318 VanDerWaalsContact O-CG1 3.29Å; I314-I318 WeakPolarHBondContact O-CG1 3.3Å; I314-I318 PolarHBondContact O-N 3.02Å
315N92.2Very high91.5Very high120 Ų12044.5 Ų44.564%0.64224%0.242SC*.Hα-helixtrans-67.6-37.8176.6-69.3-40.9000111.9N313 S319N313-N315 VanDerWaalsContact C-N 3.25Å; N313-N315 PolarHBondContact O-N 3.07Å; N313-N315 VanDerWaalsContact O-N 3.11Å; N315-S319 WeakPolarHBondContact O-CB 3.5Å; N315-S319 PolarHBondContact O-N 2.93Å; N315-S319 VanDerWaalsContact O-N 3.07Å; N315-S319 PolarHBondContact O-OG 2.86Å
316G94Very high90.1Very high33 Ų3347.1 Ų47.134%0.3427%0.265SS..Hα-helixtrans-65.4-42.5174.100000111.6N313 S319 A320N313-G316 CarbonylContact O-C 3.5Å; N313-G316 WeakPolarHBondContact O-CA 3.45Å; N313-G316 PolarHBondContact O-N 3.21Å; G316-S319 PolarHBondContact O-N 3.29Å; G316-A320 WeakPolarHBondContact O-CB 3.46Å; G316-A320 PolarHBondContact O-N 2.93Å
317V94.1Very high88.3Confident1 Ų151 Ų511%0.00628%0.283CS..Hα-helixtrans-60.1-50.3175.1172.70000111.2V267 L289 I294 V309 N313 I314 S319 A320 L321V267-V317 HydrophobicContact CG2-CG1 3.9Å; L289-V317 HydrophobicContact CD2-CB 4.21Å; L289-V317 HydrophobicContact CD2-CG1 4.06Å; L289-V317 HydrophobicContact CD2-CG2 3.78Å; I294-V317 HydrophobicContact CD1-CG2 3.93Å; I294-V317 HydrophobicContact CG2-CG2 3.87Å; V309-V317 HydrophobicContact CB-CG2 3.85Å; V309-V317 HydrophobicContact CG1-CG1 4.49Å; V309-V317 HydrophobicContact CG1-CG2 3.87Å; V309-V317 HydrophobicContact CG2-CG1 4.39Å; V309-V317 HydrophobicContact CG2-CG2 3.84Å; N313-V317 WeakPolarHBondContact O-CG2 3.25Å; N313-V317 PolarHBondContact O-N 2.83Å; I314-V317 PolarHBondContact O-N 3.17Å; V317-S319 PolarHBondContact O-N 2.64Å; V317-A320 PolarHBondContact O-N 3.18Å; V317-L321 HydrophobicContact CG1-CD1 3.73Å; V317-L321 HydrophobicContact CG1-CG 4.31Å; V317-L321 WeakPolarHBondContact O-CB 3.36Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.18Å
318I91.1Very high86.3Confident72 Ų7256.2 Ų56.237%0.36931%0.306SS..Hα-helixtrans-57.9-41.4177.6-69.7166.4000110.5I314 K322I314-I318 HydrophobicContact CG1-CD1 4.22Å; I314-I318 VanDerWaalsContact O-CG1 3.29Å; I314-I318 WeakPolarHBondContact O-CG1 3.3Å; I314-I318 PolarHBondContact O-N 3.02Å; I318-K322 HydrophobicContact CG2-CD 3.83Å; I318-K322 HydrophobicContact CG2-CG 4.35Å; I318-K322 VanDerWaalsContact O-CB 3.23Å; I318-K322 WeakPolarHBondContact O-CB 3.33Å; I318-K322 WeakPolarHBondContact O-CG 3.45Å; I318-K322 PolarHBondContact O-N 3.24Å
319S91.6Very high83.7Confident72 Ų7267.4 Ų67.450%0.50336%0.357SS..Hα-helixtrans-66.9-48179.9-570000111.3N315 G316 V317 L321 K322 V323N315-S319 WeakPolarHBondContact O-CB 3.5Å; N315-S319 PolarHBondContact O-N 2.93Å; N315-S319 VanDerWaalsContact O-N 3.07Å; N315-S319 PolarHBondContact O-OG 2.86Å; G316-S319 PolarHBondContact O-N 3.29Å; V317-S319 PolarHBondContact O-N 2.64Å; S319-L321 PolarHBondContact O-N 3.44Å; S319-K322 PolarHBondContact O-N 3.31Å; S319-V323 VanDerWaalsContact O-CG2 3.28Å; S319-V323 WeakPolarHBondContact O-CG2 3.4Å; S319-V323 PolarHBondContact O-N 2.96Å
320A90.8Very high83.1Confident19 Ų1970.8 Ų70.816%0.15738%0.375CS..Hα-helixtrans-61.2-45.617900000112.4P288 A292 G316 V317 S324P288-A320 HydrophobicContact CB-CB 4.19Å; A292-A320 HydrophobicContact CB-CB 4.42Å; G316-A320 WeakPolarHBondContact O-CB 3.46Å; G316-A320 PolarHBondContact O-N 2.93Å; V317-A320 PolarHBondContact O-N 3.18Å; A320-S324 PolarHBondContact O-N 3.47Å
321L90.6Very high82.4Confident5 Ų574.5 Ų74.53%0.02640%0.395CS..Hα-helixtrans-74.1-33.2-178.8-61179.1000112.5V175 L179 V267 I285 P288 V317 S319 S324 Q325V175-L321 HydrophobicContact CG2-CD2 4.2Å; L179-L321 HydrophobicContact CD1-CB 3.98Å; L179-L321 HydrophobicContact CD1-CD1 3.71Å; L179-L321 HydrophobicContact CD1-CG 4.4Å; V267-L321 HydrophobicContact CG1-CD1 4.16Å; I285-L321 HydrophobicContact CD1-CD2 4.17Å; I285-L321 HydrophobicContact CG2-CD2 4.43Å; P288-L321 HydrophobicContact CB-CD2 4.29Å; P288-L321 HydrophobicContact CG-CD2 4.4Å; V317-L321 HydrophobicContact CG1-CD1 3.73Å; V317-L321 HydrophobicContact CG1-CG 4.31Å; V317-L321 WeakPolarHBondContact O-CB 3.36Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.18Å; S319-L321 PolarHBondContact O-N 3.44Å; L321-S324 PolarHBondContact O-N 3.12Å; L321-Q325 WeakPolarHBondContact O-CG 3.45Å; L321-Q325 PolarHBondContact O-N 3.4Å
322K85.3Confident81.7Confident135 Ų13574.8 Ų74.859%0.58740%0.399SS*.Hα-helixtrans-66.5-41173.2-80.9179.6177.5176.40112.5I318 S319 S324 Q325 A326I318-K322 HydrophobicContact CG2-CD 3.83Å; I318-K322 HydrophobicContact CG2-CG 4.35Å; I318-K322 VanDerWaalsContact O-CB 3.23Å; I318-K322 WeakPolarHBondContact O-CB 3.33Å; I318-K322 WeakPolarHBondContact O-CG 3.45Å; I318-K322 PolarHBondContact O-N 3.24Å; S319-K322 PolarHBondContact O-N 3.31Å; K322-S324 VanDerWaalsContact C-N 3.3Å; K322-S324 PolarHBondContact O-N 2.96Å; K322-Q325 PolarHBondContact O-N 3.18Å; K322-A326 PolarHBondContact O-N 3.13Å
323V79.6Confident81Confident89 Ų8971.6 Ų71.654%0.53939%0.387SS..Hα-helixtrans-59.7-45.6175170.70000109.7S319 Q325 A326 E327S319-V323 VanDerWaalsContact O-CG2 3.28Å; S319-V323 WeakPolarHBondContact O-CG2 3.4Å; S319-V323 PolarHBondContact O-N 2.96Å; V323-Q325 VanDerWaalsContact C-N 3.35Å; V323-Q325 PolarHBondContact O-N 3.13Å; V323-A326 PolarHBondContact O-N 3.47Å; V323-A326 VanDerWaalsContact O-N 3.11Å; V323-E327 PolarHBondContact O-N 2.95Å
324S76.8Confident80.2Confident9 Ų972.7 Ų72.76%0.06339%0.393CS..Hα-helixtrans-60.5-38.6174.5176.60000113.1R173 P174 V175 A320 L321 K322 A326 E327R173-S324 PolarHBondContact O-OG 2.79Å; P174-S324 VanDerWaalsContact CA-O 3.24Å; P174-S324 WeakPolarHBondContact CA-O 3.27Å; P174-S324 WeakPolarHBondContact CB-O 3.39Å; V175-S324 PolarHBondContact N-OG 3.44Å; A320-S324 PolarHBondContact O-N 3.47Å; L321-S324 PolarHBondContact O-N 3.12Å; K322-S324 VanDerWaalsContact C-N 3.3Å; K322-S324 PolarHBondContact O-N 2.96Å; S324-A326 VanDerWaalsContact C-N 3.33Å; S324-A326 PolarHBondContact O-N 3.02Å; S324-E327 PolarHBondContact O-N 3.09Å
325Q78.5Confident79.4Confident77 Ų7775.2 Ų75.236%0.3641%0.407SS..Hα-helixtrans-65.7-33.1174.3-73.8-174.73.100113.4V175 L321 K322 V323 E327 K328V175-Q325 HydrophobicContact CB-CG 3.75Å; V175-Q325 HydrophobicContact CG1-CG 4.19Å; L321-Q325 WeakPolarHBondContact O-CG 3.45Å; L321-Q325 PolarHBondContact O-N 3.4Å; K322-Q325 PolarHBondContact O-N 3.18Å; V323-Q325 VanDerWaalsContact C-N 3.35Å; V323-Q325 PolarHBondContact O-N 3.13Å; Q325-E327 VanDerWaalsContact C-N 3.32Å; Q325-K328 WeakPolarHBondContact O-CB 3.17Å; Q325-K328 PolarHBondContact O-N 3.15Å
326A69Low78.5Confident67 Ų6772 Ų7255%0.55439%0.39SS*.Hα-helixtrans-73.4-22.6-178.400000113.1K322 V323 S324 K328K322-A326 PolarHBondContact O-N 3.13Å; V323-A326 PolarHBondContact O-N 3.47Å; V323-A326 VanDerWaalsContact O-N 3.11Å; S324-A326 VanDerWaalsContact C-N 3.33Å; S324-A326 PolarHBondContact O-N 3.02Å; A326-K328 PolarHBondContact O-N 3.21Å
327E61Low77.3Confident83 Ų8375 Ų7539%0.38839%0.394SS..THydrogen-bonded Turntrans-69.36.4173.6-65-175.2-178.300113.7Q172 V323 S324 Q325 H329Q172-E327 PolarHBondContact NE2-OE2 2.96Å; V323-E327 PolarHBondContact O-N 2.95Å; S324-E327 PolarHBondContact O-N 3.09Å; Q325-E327 VanDerWaalsContact C-N 3.32Å; E327-H329 PolarHBondContact O-N 3.03Å
328K55.6Low75.9Confident110 Ų11081.2 Ų81.248%0.47843%0.426SS..THydrogen-bonded Turntrans-67.5-9.4171.1-86.7-174.7173.5176.10114.5P174 Q325 A326P174-K328 HydrophobicContact CB-CG 3.85Å; P174-K328 HydrophobicContact CG-CG 4Å; Q325-K328 WeakPolarHBondContact O-CB 3.17Å; Q325-K328 PolarHBondContact O-N 3.15Å; A326-K328 PolarHBondContact O-N 3.21Å
329H40.8Very low74.5Confident236 Ų23682 Ų82100%1.09343%0.432SS*.  trans-121.80-172.9-66.4-55.7000112.3E327E327-H329 PolarHBondContact O-N 3.03Å

Retrieved 329 of 329 residues in 197 ms (Link to these results)

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