A0A3B3TW82_9TELE Loading...

N-terminal asparagine amidase

AlphaFold DB , UniProt , Accession A0A3B3TW82, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 307 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
1M61Low88.1Confident102 Ų10267 Ų6750%0.50231%0.314SS..  0101.60-62.2167.96300106.5L3 E9 Q148M1-L3 PolarHBondContact O-N 2.98Å; M1-E9 WeakPolarHBondContact CA-OE1 3.33Å; M1-E9 WeakPolarHBondContact CB-OE1 3.33Å; M1-E9 PolarHBondContact N-OE1 3.46Å; M1-E9 WeakPolarHBondContact O-CG 3.27Å; M1-Q148 HydrophobicContact CE-CB 4.21Å; M1-Q148 HydrophobicContact CE-CG 4.22Å
2P82.5Confident87.9Confident16 Ų1668.8 Ų68.810%0.10434%0.337CS..  trans-8729-157.936.3-35.6000114.2F4 Q148 Q150 D152 I154P2-F4 HydrophobicContact CB-CE2 4.19Å; P2-F4 WeakPolarHBondContact O-CD2 3.32Å; P2-F4 WeakPolarHBondContact O-CE2 3.13Å; P2-Q148 VanDerWaalsContact CD-O 3.24Å; P2-Q148 WeakPolarHBondContact CD-O 3.34Å; P2-Q150 WeakPolarHBondContact CD-O 2.87Å; P2-Q150 WeakPolarHBondContact CG-O 3.1Å; P2-D152 VanDerWaalsContact CB-O 3.28Å; P2-D152 WeakPolarHBondContact CB-O 3.31Å; P2-D152 VanDerWaalsContact CG-O 3.26Å; P2-D152 WeakPolarHBondContact CG-O 3.5Å; P2-I154 PolarHBondContact O-N 2.91Å
3L93.7Very high88.1Confident0 Ų065 Ų650%032%0.318CS..EExtended strand (participates in β ladder)trans-94.2118.6171.5-168.563.3000108.6M1 L10 L123 L144 F147 Q148 I154 L156M1-L3 PolarHBondContact O-N 2.98Å; L3-L10 HydrophobicContact CB-CD1 4.48Å; L3-L10 HydrophobicContact CD2-CD1 3.75Å; L3-L10 HydrophobicContact CG-CD1 3.8Å; L3-L10 WeakPolarHBondContact O-CB 3.38Å; L3-L10 PolarHBondContact O-N 3.49Å; L3-L123 HydrophobicContact CD1-CD2 3.96Å; L3-L144 HydrophobicContact CD2-CD2 3.97Å; L3-F147 HydrophobicContact CD1-CB 4.4Å; L3-Q148 HydrophobicContact CB-CG 3.71Å; L3-Q148 HydrophobicContact CD2-CG 3.97Å; L3-I154 CarbonylContact C-O 3.5Å; L3-I154 WeakPolarHBondContact CA-O 3.49Å; L3-I154 HydrophobicContact CD1-CB 4Å; L3-I154 HydrophobicContact CD1-CG2 3.77Å; L3-L156 HydrophobicContact CD1-CB 4.32Å
4F95.3Very high88.4Confident29 Ų2976.1 Ų76.113%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-111.4148.6-174.3-66.6-97.9000111P2 R8 E9 H153 I154 H155 L156P2-F4 HydrophobicContact CB-CE2 4.19Å; P2-F4 WeakPolarHBondContact O-CD2 3.32Å; P2-F4 WeakPolarHBondContact O-CE2 3.13Å; F4-R8 CarbonylContact C-O 3.55Å; F4-R8 WeakPolarHBondContact CA-O 3.45Å; F4-E9 HydrophobicContact CD1-CB 4.44Å; F4-E9 HydrophobicContact CE1-CB 4.2Å; F4-H153 HydrophobicContact CD2-CB 4.19Å; F4-H153 HydrophobicContact CE2-CB 3.79Å; F4-H153 AromaticContact CE2-CD2 3.72Å; F4-H153 AromaticContact CE2-CG 3.5Å; F4-H153 AromaticContact CE2-ND1 3.82Å; F4-H153 AromaticContact CZ-CE1 3.96Å; F4-H153 AromaticContact CZ-ND1 3.92Å; F4-I154 PolarHBondContact N-O 3.34Å; F4-H155 CarbonylContact O-C 3.57Å; F4-H155 WeakPolarHBondContact O-CA 3.48Å; F4-L156 PolarHBondContact O-N 3.11Å
5F94.3Very high89Confident7 Ų774 Ų743%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-134131.5163.8177.2-116.8000108.6N7 R8 L10 Y23 H25 L26 L156F5-N7 PolarHBondContact O-N 3.22Å; F5-R8 PolarHBondContact N-O 3.32Å; F5-R8 PolarHBondContact O-N 3.46Å; F5-L10 HydrophobicContact CB-CD2 3.54Å; F5-L10 HydrophobicContact CB-CG 4.12Å; F5-Y23 AromaticContact CD1-CD1 3.87Å; F5-Y23 HydrophobicContact CD1-CD1 3.87Å; F5-Y23 HydrophobicContact CD1-CG 4.28Å; F5-H25 HydrophobicContact CE1-CB 3.78Å; F5-H25 HydrophobicContact CZ-CB 3.62Å; F5-L26 HydrophobicContact CD1-CD2 4.28Å; F5-L26 HydrophobicContact CD1-CG 4.02Å; F5-L26 HydrophobicContact CD2-CD2 3.45Å; F5-L26 VanDerWaalsContact CD2-CD2 3.45Å; F5-L26 HydrophobicContact CD2-CG 4.11Å; F5-L26 HydrophobicContact CE1-CD2 4.13Å; F5-L26 HydrophobicContact CE1-CG 3.79Å; F5-L26 HydrophobicContact CE2-CD2 3.27Å; F5-L26 HydrophobicContact CE2-CG 3.89Å; F5-L26 HydrophobicContact CG-CD2 3.96Å; F5-L26 HydrophobicContact CG-CG 4.17Å; F5-L26 HydrophobicContact CZ-CB 4.48Å; F5-L26 HydrophobicContact CZ-CD2 3.63Å; F5-L26 HydrophobicContact CZ-CG 3.71Å; F5-L156 VanDerWaalsContact CD2-O 3.31Å; F5-L156 WeakPolarHBondContact CD2-O 3.42Å
6Q90.3Very high89.4Confident110 Ų11069.4 Ų69.451%0.51433%0.33SS..THydrogen-bonded Turntrans49.941.7-173.8-62.6-179.2-34.100113R8 H25Q6-R8 PolarHBondContact O-N 3.25Å; Q6-R8 VanDerWaalsContact O-N 3.16Å; Q6-H25 PolarHBondContact NE2-CD2 3.5Å; Q6-H25 VanDerWaalsContact NE2-CD2 3.28Å; Q6-H25 PolarHBondContact OE1-CD2 3.43Å
7N88.6Confident89.8Confident112 Ų11267.9 Ų67.960%0.59933%0.332SS*.THydrogen-bonded Turntrans59.719.1-177.6-55-38.6000115F5 R120 H155F5-N7 PolarHBondContact O-N 3.22Å; N7-R120 PolarHBondContact OD1-NH1 3.45Å; N7-H155 PolarHBondContact OD1-CE1 2.85Å; N7-H155 PolarHBondContact OD1-ND1 3.1Å
8R91.4Very high90.2Very high190 Ų19068.2 Ų68.272%0.71733%0.332SS*.EExtended strand (participates in β ladder)trans-114.3140.6171.1-63.7-177.5-179-175.91109.5F4 F5 Q6 L10F4-R8 CarbonylContact C-O 3.55Å; F4-R8 WeakPolarHBondContact CA-O 3.45Å; F5-R8 PolarHBondContact N-O 3.32Å; F5-R8 PolarHBondContact O-N 3.46Å; Q6-R8 PolarHBondContact O-N 3.25Å; Q6-R8 VanDerWaalsContact O-N 3.16Å; R8-L10 PolarHBondContact O-N 3.45Å
9E91.9Very high90.5Very high88 Ų8864.6 Ų64.641%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-59.8134.4174.4-175.6163.3169.500109.8M1 F4 D11M1-E9 WeakPolarHBondContact CA-OE1 3.33Å; M1-E9 WeakPolarHBondContact CB-OE1 3.33Å; M1-E9 PolarHBondContact N-OE1 3.46Å; M1-E9 WeakPolarHBondContact O-CG 3.27Å; F4-E9 HydrophobicContact CD1-CB 4.44Å; F4-E9 HydrophobicContact CE1-CB 4.2Å; E9-D11 PolarHBondContact O-N 3.04Å
10L91.3Very high90.8Very high1 Ų161.5 Ų61.51%0.00530%0.3CS..PPolyproline II helixtrans-73.1124.1171.9-71.7-176.9000108.9L3 F5 R8 F13 L19 Y23 L156L3-L10 HydrophobicContact CB-CD1 4.48Å; L3-L10 HydrophobicContact CD2-CD1 3.75Å; L3-L10 HydrophobicContact CG-CD1 3.8Å; L3-L10 WeakPolarHBondContact O-CB 3.38Å; L3-L10 PolarHBondContact O-N 3.49Å; F5-L10 HydrophobicContact CB-CD2 3.54Å; F5-L10 HydrophobicContact CB-CG 4.12Å; R8-L10 PolarHBondContact O-N 3.45Å; L10-F13 HydrophobicContact CB-CE1 4.46Å; L10-L19 HydrophobicContact CD1-CD1 4.49Å; L10-Y23 WeakPolarHBondContact CA-OH 3.46Å; L10-Y23 HydrophobicContact CD2-CD1 3.99Å; L10-Y23 HydrophobicContact CD2-CD2 3.85Å; L10-Y23 HydrophobicContact CD2-CE1 3.64Å; L10-Y23 HydrophobicContact CD2-CE2 3.52Å; L10-Y23 HydrophobicContact CD2-CG 4.09Å; L10-Y23 VanDerWaalsContact CD2-CZ 3.41Å; L10-L156 HydrophobicContact CD1-CD2 3.97Å
11D88.6Confident91.1Very high82 Ų8264.4 Ų64.444%0.43932%0.317SS..PPolyproline II helixtrans-67.8170.2175-70.5-39.8000111.1E9 F13 K22 Y23E9-D11 PolarHBondContact O-N 3.04Å; D11-F13 WeakPolarHBondContact O-CD1 3.17Å; D11-F13 WeakPolarHBondContact O-CE1 3.4Å; D11-K22 HydrophobicContact CB-CD 4.38Å; D11-K22 WeakPolarHBondContact OD2-CE 3.49Å; D11-K22 IonicContact OD2-NZ 3.68Å; D11-K22 PolarHBondContact OD2-NZ 3.23Å; D11-Y23 PolarHBondContact N-OH 2.76Å
12C86Confident92.7Very high88 Ų8863.8 Ų63.860%0.59531%0.311SS*.PPolyproline II helixtrans-64.6137.4170.3-168.80000110.6
13F90Very high93.3Very high20 Ų2064.3 Ų64.39%0.08831%0.311CS..  trans-138.9149.4172.546.4-93.2000108.7L10 D11 E18 L19 L141 L144L10-F13 HydrophobicContact CB-CE1 4.46Å; D11-F13 WeakPolarHBondContact O-CD1 3.17Å; D11-F13 WeakPolarHBondContact O-CE1 3.4Å; F13-E18 HydrophobicContact CB-CB 4.33Å; F13-E18 HydrophobicContact CB-CG 4.14Å; F13-L19 HydrophobicContact CB-CB 4.42Å; F13-L19 HydrophobicContact CD1-CB 4.36Å; F13-L19 HydrophobicContact CD1-CD1 3.74Å; F13-L19 HydrophobicContact CD2-CB 4.11Å; F13-L19 HydrophobicContact CE1-CD1 3.63Å; F13-L19 HydrophobicContact CE2-CD1 4.48Å; F13-L19 HydrophobicContact CG-CB 4.03Å; F13-L19 HydrophobicContact CG-CD1 4.26Å; F13-L19 HydrophobicContact CZ-CD1 4.02Å; F13-L141 HydrophobicContact CD2-CD2 3.96Å; F13-L141 HydrophobicContact CE2-CD2 4.05Å; F13-L144 HydrophobicContact CE2-CB 4.15Å; F13-L144 HydrophobicContact CE2-CD1 3.75Å; F13-L144 HydrophobicContact CZ-CB 3.96Å; F13-L144 HydrophobicContact CZ-CD1 3.88Å; F13-L144 HydrophobicContact CZ-CG 4.44Å
14R93Very high93.3Very high220 Ų22067.6 Ų67.683%0.8333%0.332SS*.SBendtrans-107.2-15-175.9-60.3-179.9-179.6-179.31.3113E18 L141R14-E18 PolarHBondContact N-OE2 3.06Å; R14-L141 WeakPolarHBondContact O-CD1 3.3Å
15S96.8Very high93.4Very high45 Ų4570.3 Ų70.332%0.31535%0.345SS..SBendtrans-142.1161.9176.2660000110.9A17 E18 L19S15-A17 VanDerWaalsContact C-N 3.28Å; S15-E18 PolarHBondContact O-N 3.42Å; S15-E18 WeakPolarHBondContact OG-CB 3.4Å; S15-E18 PolarHBondContact OG-N 3.25Å; S15-E18 VanDerWaalsContact OG-N 3.09Å; S15-L19 PolarHBondContact O-N 3.4Å
16T96Very high93.5Very high0 Ų070 Ų700%034%0.344CS..Hα-helixtrans-65.1-35.6171.451.30000111.1E18 L19 F20 H137 L141 E163T16-E18 VanDerWaalsContact C-N 3.35Å; T16-E18 PolarHBondContact O-N 3.29Å; T16-L19 WeakPolarHBondContact O-CB 3.34Å; T16-L19 PolarHBondContact O-N 2.97Å; T16-L19 VanDerWaalsContact O-N 3.14Å; T16-F20 WeakPolarHBondContact O-CD2 3.44Å; T16-F20 PolarHBondContact O-N 3.35Å; T16-H137 PolarHBondContact OG1-CE1 3.28Å; T16-H137 PolarHBondContact OG1-ND1 3.12Å; T16-L141 HydrophobicContact CG2-CD2 4.45Å; T16-E163 WeakPolarHBondContact CB-OE1 3.42Å; T16-E163 VanDerWaalsContact CB-OE2 3.3Å; T16-E163 WeakPolarHBondContact CB-OE2 3.37Å; T16-E163 VanDerWaalsContact OG1-CD 3.26Å; T16-E163 PolarHBondContact OG1-OE1 3.33Å; T16-E163 PolarHBondContact OG1-OE2 3.12Å
17A96.3Very high93.8Very high44 Ų4466.8 Ų66.836%0.36433%0.329SS..Hα-helixtrans-59-46175.300000111.6S15 L19 F20 D21 E163S15-A17 VanDerWaalsContact C-N 3.28Å; A17-L19 VanDerWaalsContact C-N 3.33Å; A17-L19 PolarHBondContact O-N 3.15Å; A17-F20 PolarHBondContact O-N 3.13Å; A17-D21 WeakPolarHBondContact O-CB 3.41Å; A17-D21 VanDerWaalsContact O-CG 3.28Å; A17-D21 PolarHBondContact O-N 2.73Å; A17-E163 VanDerWaalsContact CA-OE1 3.27Å; A17-E163 WeakPolarHBondContact CA-OE1 3.34Å; A17-E163 PolarHBondContact N-OE1 3.26Å
18E96.8Very high94.2Very high73 Ų7366.8 Ų66.834%0.34133%0.325SS..Hα-helixtrans-62.1-40.3176.2-175.9-177.2178.700111.9F13 R14 S15 T16 K22F13-E18 HydrophobicContact CB-CB 4.33Å; F13-E18 HydrophobicContact CB-CG 4.14Å; R14-E18 PolarHBondContact N-OE2 3.06Å; S15-E18 PolarHBondContact O-N 3.42Å; S15-E18 WeakPolarHBondContact OG-CB 3.4Å; S15-E18 PolarHBondContact OG-N 3.25Å; S15-E18 VanDerWaalsContact OG-N 3.09Å; T16-E18 VanDerWaalsContact C-N 3.35Å; T16-E18 PolarHBondContact O-N 3.29Å; E18-K22 WeakPolarHBondContact O-CB 3.39Å; E18-K22 PolarHBondContact O-N 3.35Å
19L96.1Very high94.3Very high0 Ų060.6 Ų60.60%031%0.306CS..Hα-helixtrans-57.6-50.2173.9172.673.8000110.7L10 F13 S15 T16 A17 K22 Y23 L26 L144L10-L19 HydrophobicContact CD1-CD1 4.49Å; F13-L19 HydrophobicContact CB-CB 4.42Å; F13-L19 HydrophobicContact CD1-CB 4.36Å; F13-L19 HydrophobicContact CD1-CD1 3.74Å; F13-L19 HydrophobicContact CD2-CB 4.11Å; F13-L19 HydrophobicContact CE1-CD1 3.63Å; F13-L19 HydrophobicContact CE2-CD1 4.48Å; F13-L19 HydrophobicContact CG-CB 4.03Å; F13-L19 HydrophobicContact CG-CD1 4.26Å; F13-L19 HydrophobicContact CZ-CD1 4.02Å; S15-L19 PolarHBondContact O-N 3.4Å; T16-L19 WeakPolarHBondContact O-CB 3.34Å; T16-L19 PolarHBondContact O-N 2.97Å; T16-L19 VanDerWaalsContact O-N 3.14Å; A17-L19 VanDerWaalsContact C-N 3.33Å; A17-L19 PolarHBondContact O-N 3.15Å; L19-K22 PolarHBondContact O-N 3.05Å; L19-Y23 HydrophobicContact CD1-CD2 3.78Å; L19-Y23 HydrophobicContact CD1-CE2 4.16Å; L19-Y23 VanDerWaalsContact O-CD2 3.3Å; L19-Y23 WeakPolarHBondContact O-CD2 3.24Å; L19-Y23 PolarHBondContact O-N 2.83Å; L19-L26 HydrophobicContact CD1-CD1 4.01Å; L19-L26 HydrophobicContact CD2-CD1 4.39Å; L19-L26 HydrophobicContact CG-CD1 4.09Å; L19-L144 HydrophobicContact CD2-CD1 3.75Å
20F96.8Very high94.6Very high3 Ų356.4 Ų56.41%0.01329%0.287CS..Hα-helixtrans-72.3-34.3-176.4-70.6-59000113.3T16 A17 K22 Y23 L26 Q27 I161 E163 M164T16-F20 WeakPolarHBondContact O-CD2 3.44Å; T16-F20 PolarHBondContact O-N 3.35Å; A17-F20 PolarHBondContact O-N 3.13Å; F20-K22 VanDerWaalsContact C-N 3.3Å; F20-Y23 CarbonylContact O-C 3.41Å; F20-L26 HydrophobicContact CD1-CB 3.95Å; F20-L26 HydrophobicContact CE1-CB 4Å; F20-Q27 HydrophobicContact CB-CG 3.81Å; F20-Q27 HydrophobicContact CD1-CG 3.96Å; F20-Q27 HydrophobicContact CG-CG 4.21Å; F20-Q27 PolarHBondContact O-NE2 2.9Å; F20-I161 HydrophobicContact CE2-CG1 4.24Å; F20-I161 HydrophobicContact CZ-CG1 3.9Å; F20-E163 HydrophobicContact CD2-CG 4Å; F20-E163 WeakPolarHBondContact CD2-OE1 3.27Å; F20-E163 HydrophobicContact CE2-CG 4.18Å; F20-M164 HydrophobicContact CD1-CG 3.78Å; F20-M164 HydrophobicContact CD1-SD 4.4Å; F20-M164 HydrophobicContact CD2-CE 4.39Å; F20-M164 HydrophobicContact CD2-CG 3.88Å; F20-M164 HydrophobicContact CE1-CB 4.43Å; F20-M164 HydrophobicContact CE1-CG 3.44Å; F20-M164 VanDerWaalsContact CE1-CG 3.44Å; F20-M164 HydrophobicContact CE2-CB 4.39Å; F20-M164 HydrophobicContact CE2-CG 3.54Å; F20-M164 HydrophobicContact CG-CE 4.45Å; F20-M164 HydrophobicContact CG-CG 4Å; F20-M164 HydrophobicContact CG-SD 4.49Å; F20-M164 HydrophobicContact CZ-CB 4.04Å; F20-M164 HydrophobicContact CZ-CG 3.3Å
21D95.8Very high94.9Very high122 Ų12261.1 Ų61.165%0.65231%0.307SS*.Hα-helixtrans-63.9-39.5173.8-74.5-17000111.2A17A17-D21 WeakPolarHBondContact O-CB 3.41Å; A17-D21 VanDerWaalsContact O-CG 3.28Å; A17-D21 PolarHBondContact O-N 2.73Å
22K94.9Very high95.4Very high90 Ų9059.8 Ų59.839%0.39131%0.308SS..Hα-helixtrans-76.5-30.7-179.3-170.9166.5-175.1164.80113.7D11 E18 L19 F20 P24D11-K22 HydrophobicContact CB-CD 4.38Å; D11-K22 WeakPolarHBondContact OD2-CE 3.49Å; D11-K22 IonicContact OD2-NZ 3.68Å; D11-K22 PolarHBondContact OD2-NZ 3.23Å; E18-K22 WeakPolarHBondContact O-CB 3.39Å; E18-K22 PolarHBondContact O-N 3.35Å; L19-K22 PolarHBondContact O-N 3.05Å; F20-K22 VanDerWaalsContact C-N 3.3Å; K22-P24 VanDerWaalsContact C-CD 3.49Å; K22-P24 WeakPolarHBondContact O-CD 3.21Å
23Y95.3Very high96Very high27 Ų2756 Ų5611%0.10628%0.281CS..  trans-123.974.4-179.3-58-80.2000111.2F5 L10 D11 L19 F20 H25 L26F5-Y23 AromaticContact CD1-CD1 3.87Å; F5-Y23 HydrophobicContact CD1-CD1 3.87Å; F5-Y23 HydrophobicContact CD1-CG 4.28Å; L10-Y23 WeakPolarHBondContact CA-OH 3.46Å; L10-Y23 HydrophobicContact CD2-CD1 3.99Å; L10-Y23 HydrophobicContact CD2-CD2 3.85Å; L10-Y23 HydrophobicContact CD2-CE1 3.64Å; L10-Y23 HydrophobicContact CD2-CE2 3.52Å; L10-Y23 HydrophobicContact CD2-CG 4.09Å; L10-Y23 VanDerWaalsContact CD2-CZ 3.41Å; D11-Y23 PolarHBondContact N-OH 2.76Å; L19-Y23 HydrophobicContact CD1-CD2 3.78Å; L19-Y23 HydrophobicContact CD1-CE2 4.16Å; L19-Y23 VanDerWaalsContact O-CD2 3.3Å; L19-Y23 WeakPolarHBondContact O-CD2 3.24Å; L19-Y23 PolarHBondContact O-N 2.83Å; F20-Y23 CarbonylContact O-C 3.41Å; Y23-H25 PolarHBondContact O-N 3.25Å; Y23-H25 VanDerWaalsContact O-N 3.12Å; Y23-L26 HydrophobicContact CG-CD1 4.37Å; Y23-L26 WeakPolarHBondContact O-CB 3.34Å; Y23-L26 PolarHBondContact O-N 3.1Å
24P94.8Very high96.3Very high68 Ų6858.7 Ų58.744%0.44229%0.291SS..Hα-helixtrans-56.5-31.7-176.5-2835.7000114.7K22 L26 Q27 E28K22-P24 VanDerWaalsContact C-CD 3.49Å; K22-P24 WeakPolarHBondContact O-CD 3.21Å; P24-L26 PolarHBondContact O-N 3.19Å; P24-Q27 WeakPolarHBondContact O-CA 3.36Å; P24-Q27 VanDerWaalsContact O-CB 3.23Å; P24-Q27 WeakPolarHBondContact O-CB 3.23Å; P24-Q27 PolarHBondContact O-N 2.9Å; P24-E28 PolarHBondContact O-N 2.81Å
25H96.3Very high96.5Very high86 Ų8652.6 Ų52.640%0.39828%0.282SS..Hα-helixtrans-63.6-24.6175.6-68.5-62000113.3F5 Q6 Y23 Q27 E28 N29F5-H25 HydrophobicContact CE1-CB 3.78Å; F5-H25 HydrophobicContact CZ-CB 3.62Å; Q6-H25 PolarHBondContact NE2-CD2 3.5Å; Q6-H25 VanDerWaalsContact NE2-CD2 3.28Å; Q6-H25 PolarHBondContact OE1-CD2 3.43Å; Y23-H25 PolarHBondContact O-N 3.25Å; Y23-H25 VanDerWaalsContact O-N 3.12Å; H25-Q27 VanDerWaalsContact C-N 3.29Å; H25-E28 IonicContact CE1-OE2 3.83Å; H25-E28 IonicContact CG-OE2 2.85Å; H25-E28 IonicContact ND1-OE2 2.88Å; H25-E28 PolarHBondContact ND1-OE2 2.91Å; H25-E28 PolarHBondContact O-N 2.9Å; H25-N29 WeakPolarHBondContact O-CB 3.24Å; H25-N29 PolarHBondContact O-N 3.38Å; H25-N29 PolarHBondContact O-OD1 2.74Å
26L96.1Very high96.5Very high0 Ų054.2 Ų54.20%028%0.283CS..Hα-helixtrans-65.2-36.3170.1-72.6177.3000111.1F5 L19 F20 Y23 P24 N29 A30 L156 C159F5-L26 HydrophobicContact CD1-CD2 4.28Å; F5-L26 HydrophobicContact CD1-CG 4.02Å; F5-L26 HydrophobicContact CD2-CD2 3.45Å; F5-L26 VanDerWaalsContact CD2-CD2 3.45Å; F5-L26 HydrophobicContact CD2-CG 4.11Å; F5-L26 HydrophobicContact CE1-CD2 4.13Å; F5-L26 HydrophobicContact CE1-CG 3.79Å; F5-L26 HydrophobicContact CE2-CD2 3.27Å; F5-L26 HydrophobicContact CE2-CG 3.89Å; F5-L26 HydrophobicContact CG-CD2 3.96Å; F5-L26 HydrophobicContact CG-CG 4.17Å; F5-L26 HydrophobicContact CZ-CB 4.48Å; F5-L26 HydrophobicContact CZ-CD2 3.63Å; F5-L26 HydrophobicContact CZ-CG 3.71Å; L19-L26 HydrophobicContact CD1-CD1 4.01Å; L19-L26 HydrophobicContact CD2-CD1 4.39Å; L19-L26 HydrophobicContact CG-CD1 4.09Å; F20-L26 HydrophobicContact CD1-CB 3.95Å; F20-L26 HydrophobicContact CE1-CB 4Å; Y23-L26 HydrophobicContact CG-CD1 4.37Å; Y23-L26 WeakPolarHBondContact O-CB 3.34Å; Y23-L26 PolarHBondContact O-N 3.1Å; P24-L26 PolarHBondContact O-N 3.19Å; L26-N29 PolarHBondContact O-N 2.93Å; L26-A30 WeakPolarHBondContact O-CB 3.23Å; L26-A30 PolarHBondContact O-N 2.89Å; L26-L156 HydrophobicContact CD1-CD2 4.15Å; L26-L156 HydrophobicContact CD2-CD2 4.04Å; L26-L156 HydrophobicContact CD2-CG 4.31Å; L26-C159 HydrophobicContact CD2-CB 3.87Å
27Q96.9Very high96.5Very high44 Ų4459.3 Ų59.321%0.20632%0.316CS..Hα-helixtrans-65.6-41.4175.2-53.1-175.429.700111.2F20 P24 H25 A30 K31 M164F20-Q27 HydrophobicContact CB-CG 3.81Å; F20-Q27 HydrophobicContact CD1-CG 3.96Å; F20-Q27 HydrophobicContact CG-CG 4.21Å; F20-Q27 PolarHBondContact O-NE2 2.9Å; P24-Q27 WeakPolarHBondContact O-CA 3.36Å; P24-Q27 VanDerWaalsContact O-CB 3.23Å; P24-Q27 WeakPolarHBondContact O-CB 3.23Å; P24-Q27 PolarHBondContact O-N 2.9Å; H25-Q27 VanDerWaalsContact C-N 3.29Å; Q27-A30 PolarHBondContact O-N 2.73Å; Q27-K31 WeakPolarHBondContact O-CB 3.33Å; Q27-K31 WeakPolarHBondContact O-CG 3.4Å; Q27-K31 PolarHBondContact O-N 3.41Å; Q27-M164 HydrophobicContact CB-SD 3.95Å; Q27-M164 HydrophobicContact CG-SD 3.97Å
28E96.4Very high96.5Very high111 Ų11165.6 Ų65.652%0.51933%0.331SS..Hα-helixtrans-62.8-47.3175.8-65.5176.1165.500111.1P24 H25 A30 K31 A32P24-E28 PolarHBondContact O-N 2.81Å; H25-E28 IonicContact CE1-OE2 3.83Å; H25-E28 IonicContact CG-OE2 2.85Å; H25-E28 IonicContact ND1-OE2 2.88Å; H25-E28 PolarHBondContact ND1-OE2 2.91Å; H25-E28 PolarHBondContact O-N 2.9Å; E28-A30 VanDerWaalsContact C-N 3.32Å; E28-A30 PolarHBondContact O-N 3.35Å; E28-K31 PolarHBondContact O-N 3.21Å; E28-A32 WeakPolarHBondContact O-CB 3.4Å; E28-A32 PolarHBondContact O-N 3.31Å
29N95.4Very high96.5Very high60 Ų6065 Ų6532%0.32133%0.332SS..Hα-helixtrans-59.2-42.7176-77.26.8000111.7H25 L26 A32 F33 E157H25-N29 WeakPolarHBondContact O-CB 3.24Å; H25-N29 PolarHBondContact O-N 3.38Å; H25-N29 PolarHBondContact O-OD1 2.74Å; L26-N29 PolarHBondContact O-N 2.93Å; N29-A32 PolarHBondContact O-N 2.72Å; N29-F33 WeakPolarHBondContact O-CB 3.27Å; N29-F33 PolarHBondContact O-N 2.99Å; N29-E157 PolarHBondContact ND2-O 3.24Å
30A97.8Very high96.4Very high0 Ų070.6 Ų70.60%036%0.362CS..Hα-helixtrans-65.8-43.7177.500000112.3L26 Q27 E28 F33 R34 C159 C160 M164L26-A30 WeakPolarHBondContact O-CB 3.23Å; L26-A30 PolarHBondContact O-N 2.89Å; Q27-A30 PolarHBondContact O-N 2.73Å; E28-A30 VanDerWaalsContact C-N 3.32Å; E28-A30 PolarHBondContact O-N 3.35Å; A30-F33 PolarHBondContact O-N 2.95Å; A30-R34 WeakPolarHBondContact O-CG 3.31Å; A30-R34 PolarHBondContact O-N 3.48Å; A30-C159 WeakPolarHBondContact CB-O 3.27Å; A30-C160 HydrophobicContact CB-CB 4.08Å; A30-M164 HydrophobicContact CB-CB 3.72Å; A30-M164 HydrophobicContact CB-CG 4.07Å
31K97.9Very high96.3Very high101 Ų10170.8 Ų70.844%0.43936%0.363SS..Hα-helixtrans-61-44175.3-73.9169.5-171171.50111.3Q27 E28 R34 S35Q27-K31 WeakPolarHBondContact O-CB 3.33Å; Q27-K31 WeakPolarHBondContact O-CG 3.4Å; Q27-K31 PolarHBondContact O-N 3.41Å; E28-K31 PolarHBondContact O-N 3.21Å; K31-R34 WeakPolarHBondContact O-CG 3.32Å; K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.36Å; K31-S35 PolarHBondContact O-OG 2.66Å
32A97.9Very high96Very high54 Ų5468.8 Ų68.845%0.44635%0.352SS..Hα-helixtrans-62.5-46.5175.500000111E28 N29 S35 K36E28-A32 WeakPolarHBondContact O-CB 3.4Å; E28-A32 PolarHBondContact O-N 3.31Å; N29-A32 PolarHBondContact O-N 2.72Å; A32-S35 PolarHBondContact O-N 3.1Å; A32-S35 PolarHBondContact O-OG 3.02Å; A32-K36 PolarHBondContact O-N 2.66Å
33F98.3Very high95.6Very high7 Ų766.7 Ų66.73%0.03135%0.348CS..Hα-helixtrans-60.2-51.6179.9-176.1-91.9000112.6N29 A30 S35 K36 V126 T158 C160 V177 I180 V189 P191N29-F33 WeakPolarHBondContact O-CB 3.27Å; N29-F33 PolarHBondContact O-N 2.99Å; A30-F33 PolarHBondContact O-N 2.95Å; F33-S35 PolarHBondContact O-N 3.38Å; F33-K36 HydrophobicContact CD2-CD 4.49Å; F33-K36 VanDerWaalsContact O-CB 3.31Å; F33-K36 WeakPolarHBondContact O-CB 3.07Å; F33-K36 WeakPolarHBondContact O-CG 3.39Å; F33-K36 PolarHBondContact O-N 3.09Å; F33-K36 VanDerWaalsContact O-N 3.12Å; F33-V126 HydrophobicContact CD1-CG2 4.32Å; F33-V126 HydrophobicContact CE1-CB 4.45Å; F33-V126 HydrophobicContact CE1-CG1 3.85Å; F33-V126 HydrophobicContact CE1-CG2 3.71Å; F33-V126 HydrophobicContact CZ-CG2 3.88Å; F33-T158 HydrophobicContact CB-CG2 4.2Å; F33-T158 HydrophobicContact CD1-CG2 4.43Å; F33-T158 HydrophobicContact CD2-CG2 3.74Å; F33-T158 HydrophobicContact CE2-CG2 4.24Å; F33-T158 HydrophobicContact CG-CG2 3.85Å; F33-C160 HydrophobicContact CD1-CB 3.98Å; F33-V177 HydrophobicContact CE1-CG1 4.31Å; F33-V177 HydrophobicContact CE1-CG2 4.39Å; F33-I180 HydrophobicContact CE1-CG2 4.2Å; F33-I180 HydrophobicContact CZ-CG2 3.91Å; F33-V189 HydrophobicContact CE2-CB 4.26Å; F33-V189 HydrophobicContact CE2-CG1 3.91Å; F33-V189 WeakPolarHBondContact CE2-O 3.34Å; F33-V189 HydrophobicContact CZ-CG1 4.06Å; F33-P191 HydrophobicContact CD1-CG 4.4Å; F33-P191 HydrophobicContact CE1-CG 3.93Å; F33-P191 HydrophobicContact CZ-CG 4.15Å
34R96.6Very high95.3Very high78 Ų7870.5 Ų70.529%0.29437%0.365SS..Hα-helixtrans-69.9-14-179.477.2-168.6-173.9174.33.7113.8A30 K31 M164 I176 V177A30-R34 WeakPolarHBondContact O-CG 3.31Å; A30-R34 PolarHBondContact O-N 3.48Å; K31-R34 WeakPolarHBondContact O-CG 3.32Å; R34-M164 WeakPolarHBondContact CD-O 3.27Å; R34-M164 PolarHBondContact NH1-O 3.02Å; R34-I176 HydrophobicContact CB-CG2 4.08Å; R34-V177 HydrophobicContact CB-CG2 4.03Å
35S96.9Very high94.7Very high92 Ų9272 Ų7264%0.64337%0.366SS*.Hα-helixtrans-83.6-13.7173.8760000113.6K31 A32 F33K31-S35 WeakPolarHBondContact O-CB 3.41Å; K31-S35 PolarHBondContact O-N 3.36Å; K31-S35 PolarHBondContact O-OG 2.66Å; A32-S35 PolarHBondContact O-N 3.1Å; A32-S35 PolarHBondContact O-OG 3.02Å; F33-S35 PolarHBondContact O-N 3.38Å
36K97.6Very high94.7Very high79 Ų7968.2 Ų68.234%0.34335%0.349SS..SBendtrans-61.5143.4175.5-67.1-176.9177.9-168.20109.9A32 F33 V189 P191A32-K36 PolarHBondContact O-N 2.66Å; F33-K36 HydrophobicContact CD2-CD 4.49Å; F33-K36 VanDerWaalsContact O-CB 3.31Å; F33-K36 WeakPolarHBondContact O-CB 3.07Å; F33-K36 WeakPolarHBondContact O-CG 3.39Å; F33-K36 PolarHBondContact O-N 3.09Å; F33-K36 VanDerWaalsContact O-N 3.12Å; K36-V189 PolarHBondContact NZ-O 3.42Å; K36-P191 HydrophobicContact CB-CG 4.06Å
37P96.4Very high94.7Very high107 Ų10768.2 Ų68.270%0.69535%0.349SS*.PPolyproline II helixtrans-61.8140.7174.527.3-34.1000110V39P37-V39 PolarHBondContact O-N 3.24Å
38R96.3Very high94.8Very high176 Ų17666.4 Ų66.466%0.66434%0.34SS*.PPolyproline II helixtrans-69.5129.5171.7-173.8172.267.1-149-1.6109.3P191R38-P191 WeakPolarHBondContact CA-O 3.19Å
39V96.5Very high94.9Very high61 Ų6161.1 Ų61.137%0.3732%0.315SS..EExtended strand (participates in β ladder)trans-97.9125.6179.6-178.50000109.8P37 V41 F190 P191 A192 S193P37-V39 PolarHBondContact O-N 3.24Å; V39-V41 HydrophobicContact CG1-CG2 4.3Å; V39-V41 PolarHBondContact O-N 3.18Å; V39-F190 HydrophobicContact CB-CD2 3.71Å; V39-F190 HydrophobicContact CB-CE2 3.73Å; V39-F190 HydrophobicContact CG1-CD2 4.41Å; V39-F190 HydrophobicContact CG1-CE2 4Å; V39-F190 HydrophobicContact CG2-CD2 3.64Å; V39-F190 HydrophobicContact CG2-CE2 4.08Å; V39-F190 HydrophobicContact CG2-CG 4.41Å; V39-P191 PolarHBondContact N-O 3.02Å; V39-A192 CarbonylContact O-C 3.53Å; V39-A192 WeakPolarHBondContact O-CA 3.39Å; V39-S193 PolarHBondContact O-N 2.87Å
40D94.3Very high95.1Very high117 Ų11759 Ų5963%0.62630%0.303SS*.EExtended strand (participates in β ladder)trans-82.2108.6169-63.6-24.9000108.2S193D40-S193 PolarHBondContact OD1-OG 2.9Å
41V93.8Very high95.1Very high7 Ų762.3 Ų62.34%0.04232%0.319CS..  trans-81.7130.1-168.7175.70000111.1V39 L46 I66 F190 A192 S193 F194V39-V41 HydrophobicContact CG1-CG2 4.3Å; V39-V41 PolarHBondContact O-N 3.18Å; V41-L46 HydrophobicContact CG1-CB 4.23Å; V41-L46 HydrophobicContact CG1-CD1 4.2Å; V41-I66 HydrophobicContact CG1-CB 4.46Å; V41-I66 HydrophobicContact CG1-CD1 3.81Å; V41-I66 HydrophobicContact CG1-CG2 4.04Å; V41-F190 HydrophobicContact CG2-CE2 3.86Å; V41-F190 HydrophobicContact CG2-CZ 4.27Å; V41-A192 HydrophobicContact CG2-CB 3.88Å; V41-S193 PolarHBondContact N-O 2.89Å; V41-F194 HydrophobicContact CB-CD1 3.93Å; V41-F194 HydrophobicContact CB-CE1 3.79Å; V41-F194 HydrophobicContact CG1-CD1 4.39Å; V41-F194 HydrophobicContact CG1-CE1 4.13Å; V41-F194 HydrophobicContact CG2-CD1 4.26Å; V41-F194 HydrophobicContact CG2-CE1 3.68Å; V41-F194 HydrophobicContact CG2-CZ 4.25Å
42D89.3Confident95.1Very high79 Ų7959.6 Ų59.642%0.42231%0.306SS..  trans-64.3122.5173.4-174.5-20.5000110.4K44 H45D42-K44 PolarHBondContact O-N 2.8Å; D42-K44 VanDerWaalsContact O-N 3.13Å; D42-K44 WeakPolarHBondContact OD1-CB 3.33Å; D42-K44 VanDerWaalsContact OD1-CG 3.26Å; D42-K44 WeakPolarHBondContact OD1-CG 3.48Å; D42-K44 PolarHBondContact OD1-N 3.42Å; D42-H45 PolarHBondContact O-N 2.95Å
43P88.1Confident95.2Very high46 Ų4657.1 Ų57.130%0.29929%0.285SS..G310 helixtrans-58.6-24.1179.525.6-37.7000114.3H45 L46 H196 R295P43-H45 PolarHBondContact O-N 3.09Å; P43-L46 PolarHBondContact O-N 2.94Å; P43-H196 HydrophobicContact CB-CB 4.06Å; P43-R295 PolarHBondContact O-NH1 3.22Å
44K87.6Confident95.2Very high108 Ų10857.3 Ų57.347%0.4729%0.286SS..G310 helixtrans-57.9-27.3-176-70.4-177.3176.2178.60114.1D42 S298D42-K44 PolarHBondContact O-N 2.8Å; D42-K44 VanDerWaalsContact O-N 3.13Å; D42-K44 WeakPolarHBondContact OD1-CB 3.33Å; D42-K44 VanDerWaalsContact OD1-CG 3.26Å; D42-K44 WeakPolarHBondContact OD1-CG 3.48Å; D42-K44 PolarHBondContact OD1-N 3.42Å; K44-S298 WeakPolarHBondContact CG-O 3.45Å
45H82.3Confident95.3Very high98 Ų9853.6 Ų53.645%0.45427%0.272SS..G310 helixtrans-117.32.7-171.7-72.8-43.4000113.1D42 P43 S65 I66D42-H45 PolarHBondContact O-N 2.95Å; P43-H45 PolarHBondContact O-N 3.09Å; H45-S65 VanDerWaalsContact CB-OG 3.24Å; H45-S65 WeakPolarHBondContact CB-OG 3.15Å; H45-S65 PolarHBondContact O-N 3.44Å; H45-I66 PolarHBondContact O-N 2.63Å
46L95.8Very high95.4Very high7 Ų749.4 Ų49.44%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-95.5132.2-170173.664000112.1V41 P43 I66 F194 R295 W301V41-L46 HydrophobicContact CG1-CB 4.23Å; V41-L46 HydrophobicContact CG1-CD1 4.2Å; P43-L46 PolarHBondContact O-N 2.94Å; L46-I66 CarbonylContact C-O 3.59Å; L46-I66 WeakPolarHBondContact CA-O 3.43Å; L46-I66 HydrophobicContact CD1-CG2 4.34Å; L46-F194 HydrophobicContact CD1-CD1 3.64Å; L46-F194 HydrophobicContact CD1-CE1 3.53Å; L46-F194 HydrophobicContact CD2-CD1 3.6Å; L46-F194 HydrophobicContact CD2-CE1 4.36Å; L46-F194 HydrophobicContact CD2-CG 4.49Å; L46-F194 HydrophobicContact CG-CD1 4.26Å; L46-R295 VanDerWaalsContact C-NH2 3.28Å; L46-R295 VanDerWaalsContact O-CZ 3.3Å; L46-R295 PolarHBondContact O-NH1 3.3Å; L46-R295 PolarHBondContact O-NH2 3.49Å; L46-W301 PolarHBondContact O-NE1 3.13Å
47L97.9Very high95.4Very high0 Ų045.7 Ų45.70%023%0.227CC..EExtended strand (participates in β ladder)trans-108.4109153.7174.359.3000108.4A55 V64 I66 L67 G68 I217 Y218 V225 W301L47-A55 HydrophobicContact CD2-CB 3.62Å; L47-A55 HydrophobicContact CG-CB 4.35Å; L47-V64 HydrophobicContact CB-CB 4.48Å; L47-V64 HydrophobicContact CB-CG1 3.68Å; L47-V64 HydrophobicContact CB-CG2 3.87Å; L47-V64 HydrophobicContact CD2-CG1 4.5Å; L47-V64 HydrophobicContact CD2-CG2 4.28Å; L47-I66 PolarHBondContact N-O 2.92Å; L47-L67 HydrophobicContact CB-CD2 3.91Å; L47-L67 HydrophobicContact CD2-CD2 3.77Å; L47-L67 HydrophobicContact CG-CD2 4.15Å; L47-L67 WeakPolarHBondContact O-CA 3.5Å; L47-G68 PolarHBondContact O-N 2.87Å; L47-I217 HydrophobicContact CD1-CD1 4.1Å; L47-Y218 HydrophobicContact CD2-CD1 3.8Å; L47-Y218 HydrophobicContact CD2-CD2 3.63Å; L47-Y218 HydrophobicContact CD2-CE1 4.35Å; L47-Y218 HydrophobicContact CD2-CE2 4.22Å; L47-Y218 HydrophobicContact CD2-CG 3.39Å; L47-V225 HydrophobicContact CD1-CG2 3.52Å; L47-W301 HydrophobicContact CB-CZ2 4.47Å; L47-W301 HydrophobicContact CD1-CZ2 4.15Å
48Y98.5Very high95.5Very high7 Ų742 Ų423%0.02720%0.202CC..EExtended strand (participates in β ladder)trans-84.3130178.7-172.7-91.9000110.6Q50 G68 D70 F194 K197 R204Y48-Q50 HydrophobicContact CD1-CG 4.07Å; Y48-Q50 HydrophobicContact CE1-CG 3.78Å; Y48-G68 CarbonylContact C-O 3.51Å; Y48-G68 WeakPolarHBondContact CA-O 3.43Å; Y48-D70 HydrophobicContact CE2-CB 4.02Å; Y48-D70 WeakPolarHBondContact OH-CB 3.43Å; Y48-D70 PolarHBondContact OH-N 2.86Å; Y48-F194 HydrophobicContact CD2-CB 3.74Å; Y48-F194 HydrophobicContact CD2-CD1 4.09Å; Y48-F194 HydrophobicContact CD2-CD2 4.22Å; Y48-F194 AromaticContact CD2-CG 3.74Å; Y48-F194 HydrophobicContact CD2-CG 3.74Å; Y48-F194 HydrophobicContact CE2-CB 3.68Å; Y48-F194 AromaticContact CE2-CD2 3.84Å; Y48-F194 HydrophobicContact CE2-CD2 3.84Å; Y48-F194 AromaticContact CE2-CG 3.75Å; Y48-F194 HydrophobicContact CE2-CG 3.75Å; Y48-K197 HydrophobicContact CD1-CB 3.62Å; Y48-K197 HydrophobicContact CD1-CG 3.93Å; Y48-K197 HydrophobicContact CD2-CG 4.07Å; Y48-K197 HydrophobicContact CE1-CB 3.72Å; Y48-K197 HydrophobicContact CE1-CD 3.88Å; Y48-K197 HydrophobicContact CE1-CG 3.69Å; Y48-K197 HydrophobicContact CE2-CD 4.21Å; Y48-K197 HydrophobicContact CE2-CG 3.83Å; Y48-K197 HydrophobicContact CG-CB 4.05Å; Y48-K197 HydrophobicContact CG-CG 4.11Å; Y48-K197 WeakPolarHBondContact OH-CE 3.33Å; Y48-R204 PolarHBondContact O-NH2 3.42Å
49V98.8Very high95.6Very high0 Ų035.7 Ų35.70%018%0.184CC..  trans-107.8122179.5-179.10000108E53 A55 G68 S69 L90 I217V49-E53 VanDerWaalsContact CG1-C 3.43Å; V49-E53 HydrophobicContact CG1-CB 3.72Å; V49-E53 WeakPolarHBondContact CG1-O 3.27Å; V49-A55 HydrophobicContact CG2-CB 3.8Å; V49-G68 PolarHBondContact N-O 2.59Å; V49-S69 VanDerWaalsContact O-CB 3.29Å; V49-S69 WeakPolarHBondContact O-CB 3.37Å; V49-S69 PolarHBondContact O-OG 2.69Å; V49-S69 VanDerWaalsContact O-OG 3.11Å; V49-L90 HydrophobicContact CB-CD2 3.64Å; V49-L90 HydrophobicContact CG1-CD2 4.06Å; V49-L90 HydrophobicContact CG2-CD2 3.76Å; V49-I217 HydrophobicContact CG2-CD1 4.44Å
50Q98.7Very high95.5Very high14 Ų1436.5 Ų36.57%0.06520%0.197CC..  trans-84.2171.3176.5-70.7-177.810.800111.6Y48 R52 E53 H92 E201 R204 S205Y48-Q50 HydrophobicContact CD1-CG 4.07Å; Y48-Q50 HydrophobicContact CE1-CG 3.78Å; Q50-R52 PolarHBondContact O-N 3.37Å; Q50-E53 HydrophobicContact CB-CG 4.37Å; Q50-E53 WeakPolarHBondContact CB-OE2 3.26Å; Q50-E53 PolarHBondContact N-OE2 3.45Å; Q50-E53 WeakPolarHBondContact O-CB 3.45Å; Q50-E53 PolarHBondContact O-N 2.9Å; Q50-H92 WeakPolarHBondContact O-CB 3.34Å; Q50-E201 VanDerWaalsContact NE2-CG 3.34Å; Q50-E201 PolarHBondContact NE2-O 2.93Å; Q50-E201 VanDerWaalsContact NE2-O 3.1Å; Q50-R204 VanDerWaalsContact OE1-C 3.29Å; Q50-R204 VanDerWaalsContact OE1-CB 3.26Å; Q50-S205 VanDerWaalsContact OE1-N 3.07Å; Q50-S205 PolarHBondContact OE1-OG 2.85Å
51Q98.5Very high95.6Very high71 Ų7131.6 Ų31.633%0.33217%0.171SC..THydrogen-bonded Turntrans-53.1135.3169.2-174.3-179.4-33.600111.4E53 D94 T208Q51-E53 VanDerWaalsContact C-N 3.28Å; Q51-E53 PolarHBondContact O-N 3.44Å; Q51-D94 HydrophobicContact CG-CB 3.91Å; Q51-D94 VanDerWaalsContact NE2-CB 3.29Å; Q51-D94 PolarHBondContact NE2-OD2 2.98Å; Q51-T208 HydrophobicContact CB-CG2 4.45Å; Q51-T208 HydrophobicContact CG-CG2 4.4Å; Q51-T208 PolarHBondContact O-OG1 2.87Å
52R98.3Very high95.5Very high44 Ų4438.7 Ų38.717%0.16621%0.209CC..THydrogen-bonded Turntrans59.533.8-171.4-56.7-171.1-169.8170.12.7114Q50 H92 D94 S96 R207 T208 G211 G212 M214 T215Q50-R52 PolarHBondContact O-N 3.37Å; R52-H92 PolarHBondContact N-O 2.77Å; R52-D94 WeakPolarHBondContact CG-OD2 3.44Å; R52-D94 IonicContact CZ-OD2 3.23Å; R52-D94 IonicContact NE-OD1 2.62Å; R52-D94 IonicContact NE-OD2 3.39Å; R52-D94 PolarHBondContact NE-OD2 2.88Å; R52-D94 IonicContact NH2-OD2 3.29Å; R52-D94 PolarHBondContact NH2-OD2 3.39Å; R52-S96 PolarHBondContact NE-OG 2.77Å; R52-S96 PolarHBondContact NH2-OG 3.28Å; R52-R207 PolarHBondContact O-NH2 3.47Å; R52-T208 HydrophobicContact CB-CG2 4.28Å; R52-T208 HydrophobicContact CG-CG2 4.12Å; R52-G211 VanDerWaalsContact NH1-C 3.33Å; R52-G211 PolarHBondContact NH1-O 2.87Å; R52-G212 WeakPolarHBondContact CD-O 3.11Å; R52-G212 PolarHBondContact NH1-O 3.31Å; R52-M214 WeakPolarHBondContact O-CA 3.44Å; R52-T215 PolarHBondContact O-N 3.24Å
53E98.8Very high95.7Very high2 Ų237 Ų371%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-127.2158.4166.1-60.1178.2155.900110.8V49 Q50 Q51 S91 H92 R204 M214 T215 I217V49-E53 VanDerWaalsContact CG1-C 3.43Å; V49-E53 HydrophobicContact CG1-CB 3.72Å; V49-E53 WeakPolarHBondContact CG1-O 3.27Å; Q50-E53 HydrophobicContact CB-CG 4.37Å; Q50-E53 WeakPolarHBondContact CB-OE2 3.26Å; Q50-E53 PolarHBondContact N-OE2 3.45Å; Q50-E53 WeakPolarHBondContact O-CB 3.45Å; Q50-E53 PolarHBondContact O-N 2.9Å; Q51-E53 VanDerWaalsContact C-N 3.28Å; Q51-E53 PolarHBondContact O-N 3.44Å; E53-S91 WeakPolarHBondContact O-CA 3.33Å; E53-H92 PolarHBondContact O-N 3.11Å; E53-H92 VanDerWaalsContact O-N 3.12Å; E53-R204 WeakPolarHBondContact OE1-CB 3.42Å; E53-R204 WeakPolarHBondContact OE1-CG 3.37Å; E53-R204 IonicContact OE1-CZ 3.85Å; E53-R204 IonicContact OE1-NE 2.81Å; E53-R204 PolarHBondContact OE1-NE 2.99Å; E53-R204 IonicContact OE1-NH2 3.43Å; E53-R204 IonicContact OE2-CZ 3.65Å; E53-R204 IonicContact OE2-NE 3.83Å; E53-R204 PolarHBondContact OE2-NE 3.2Å; E53-R204 IonicContact OE2-NH2 2.73Å; E53-R204 PolarHBondContact OE2-NH2 2.84Å; E53-M214 VanDerWaalsContact CA-SD 3.51Å; E53-M214 PolarHBondContact N-SD 3.21Å; E53-M214 VanDerWaalsContact O-SD 3.34Å; E53-T215 WeakPolarHBondContact CA-O 3.38Å; E53-T215 HydrophobicContact CG-CG2 4.32Å; E53-I217 HydrophobicContact CB-CG2 3.97Å; E53-I217 HydrophobicContact CG-CG2 3.82Å
54F98.8Very high96Very high11 Ų1134.9 Ų34.95%0.04819%0.189CC..EExtended strand (participates in β ladder)trans-137.1156.7164.572.8-83.1000110.3L90 S91 L104 A108 M214 T215 D216 I217F54-L90 VanDerWaalsContact CA-O 3.28Å; F54-L90 WeakPolarHBondContact CA-O 3.47Å; F54-S91 VanDerWaalsContact CB-CB 3.48Å; F54-L104 HydrophobicContact CE1-CB 4.01Å; F54-L104 HydrophobicContact CE1-CD1 4.19Å; F54-L104 HydrophobicContact CZ-CB 4.1Å; F54-A108 HydrophobicContact CD2-CB 4.34Å; F54-A108 HydrophobicContact CE2-CB 3.83Å; F54-M214 HydrophobicContact CB-SD 4.35Å; F54-M214 HydrophobicContact CD1-CG 3.74Å; F54-M214 HydrophobicContact CD1-SD 4.04Å; F54-M214 HydrophobicContact CE1-CG 4.26Å; F54-T215 VanDerWaalsContact CD1-O 3.32Å; F54-T215 WeakPolarHBondContact CD1-O 3.48Å; F54-T215 VanDerWaalsContact CE1-C 3.49Å; F54-T215 PolarHBondContact N-O 3.49Å; F54-D216 HydrophobicContact CD2-CB 4.47Å; F54-D216 HydrophobicContact CE1-CB 3.84Å; F54-D216 VanDerWaalsContact CE1-N 3.3Å; F54-D216 HydrophobicContact CE2-CB 3.74Å; F54-D216 HydrophobicContact CZ-CB 3.41Å; F54-D216 VanDerWaalsContact CZ-CB 3.41Å; F54-D216 WeakPolarHBondContact O-CA 3.28Å; F54-I217 PolarHBondContact O-N 3.36Å; F54-I217 VanDerWaalsContact O-N 3.11Å
55A98.8Very high96.4Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-140.1140.8170.800000109L47 V49 L67 C89 L90 I217L47-A55 HydrophobicContact CD2-CB 3.62Å; L47-A55 HydrophobicContact CG-CB 4.35Å; V49-A55 HydrophobicContact CG2-CB 3.8Å; A55-L67 HydrophobicContact CB-CD2 4.28Å; A55-C89 VanDerWaalsContact O-CA 3.29Å; A55-C89 WeakPolarHBondContact O-CA 3.38Å; A55-L90 PolarHBondContact N-O 3.41Å; A55-L90 PolarHBondContact O-N 2.79Å; A55-I217 HydrophobicContact CB-CG1 4.05Å
56A98.7Very high97.2Very high4 Ų427.7 Ų27.73%0.03316%0.161CC..EExtended strand (participates in β ladder)trans-131.4140176.700000111.8V88 C89 A108 L112 S220A56-V88 CarbonylContact C-O 3.56Å; A56-V88 WeakPolarHBondContact CA-O 3.37Å; A56-C89 HydrophobicContact CB-CB 3.8Å; A56-A108 HydrophobicContact CB-CB 3.84Å; A56-L112 HydrophobicContact CB-CD1 3.64Å; A56-S220 PolarHBondContact O-OG 3.02Å
57T98.6Very high97.3Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-153.1-177.8179-1670000111.2D61 V64 L67 A87 V88 V184 S220T57-D61 WeakPolarHBondContact OG1-CB 3.48Å; T57-D61 PolarHBondContact OG1-OD2 2.84Å; T57-V64 HydrophobicContact CG2-CG1 4.48Å; T57-L67 HydrophobicContact CG2-CD2 4.31Å; T57-A87 WeakPolarHBondContact O-CA 3.48Å; T57-V88 PolarHBondContact N-O 2.77Å; T57-V88 PolarHBondContact O-N 2.93Å; T57-V184 HydrophobicContact CG2-CB 4.44Å; T57-V184 HydrophobicContact CG2-CG1 3.8Å; T57-V184 HydrophobicContact CG2-CG2 3.7Å; T57-S220 WeakPolarHBondContact OG1-CB 3.19Å
58T97.8Very high97.3Very high30 Ų3027.4 Ų27.418%0.18416%0.159CC..  trans-130.9165.7-179.372.20000110.6A60 D61 A87 L112 V184T58-A60 PolarHBondContact O-N 3.2Å; T58-A60 PolarHBondContact OG1-N 3.16Å; T58-D61 VanDerWaalsContact O-CB 3.32Å; T58-D61 WeakPolarHBondContact O-CB 3.04Å; T58-D61 PolarHBondContact O-N 2.82Å; T58-A87 HydrophobicContact CG2-CB 4.08Å; T58-L112 HydrophobicContact CG2-CB 4Å; T58-L112 HydrophobicContact CG2-CD1 4.39Å; T58-L112 HydrophobicContact CG2-CD2 4.24Å; T58-L112 HydrophobicContact CG2-CG 4.45Å; T58-V184 VanDerWaalsContact C-CG1 3.45Å; T58-V184 WeakPolarHBondContact O-CG1 3.18Å
59P97.3Very high97.3Very high44 Ų4427 Ų2729%0.28616%0.158SC..THydrogen-bonded Turntrans-60.7-14.4176-24.435.4000115.2D61 G86P59-D61 VanDerWaalsContact C-N 3.26Å; P59-G86 WeakPolarHBondContact CD-O 3.46Å
60A95.5Very high97.3Very high78 Ų7827.8 Ų27.865%0.64516%0.162SC*.THydrogen-bonded Turntrans-77-12.5176.300000113.3T58 N62T58-A60 PolarHBondContact O-N 3.2Å; T58-A60 PolarHBondContact OG1-N 3.16Å; A60-N62 PolarHBondContact O-N 2.96Å
61D95.1Very high97.2Very high14 Ų1428.9 Ų28.98%0.07517%0.168CC..  trans-73.3123.5176.2-174.6-13.4000111.1T57 T58 P59 C63 V64 Y218T57-D61 WeakPolarHBondContact OG1-CB 3.48Å; T57-D61 PolarHBondContact OG1-OD2 2.84Å; T58-D61 VanDerWaalsContact O-CB 3.32Å; T58-D61 WeakPolarHBondContact O-CB 3.04Å; T58-D61 PolarHBondContact O-N 2.82Å; P59-D61 VanDerWaalsContact C-N 3.26Å; D61-C63 WeakPolarHBondContact OD1-CA 3.24Å; D61-C63 WeakPolarHBondContact OD1-CB 3.14Å; D61-C63 PolarHBondContact OD1-N 3.29Å; D61-V64 PolarHBondContact OD1-N 2.96Å; D61-Y218 VanDerWaalsContact CG-OH 3.28Å; D61-Y218 PolarHBondContact OD1-OH 3.41Å; D61-Y218 WeakPolarHBondContact OD2-CE1 3.45Å; D61-Y218 VanDerWaalsContact OD2-CZ 3.23Å; D61-Y218 PolarHBondContact OD2-OH 3.07Å
62N92.1Very high97.2Very high155 Ų15525.5 Ų25.583%0.82915%0.152SC*.SBendtrans-94.5-10-179.7-64-50.7000113.3A60A60-N62 PolarHBondContact O-N 2.96Å
63C93.8Very high97.1Very high43 Ų4323.6 Ų23.629%0.29115%0.145SC..SBendtrans-92.3-25.2-177.7-630000112.6D61 R295D61-C63 WeakPolarHBondContact OD1-CA 3.24Å; D61-C63 WeakPolarHBondContact OD1-CB 3.14Å; D61-C63 PolarHBondContact OD1-N 3.29Å; C63-R295 HydrophobicContact CB-CB 4.13Å; C63-R295 PolarHBondContact O-NE 2.77Å; C63-R295 PolarHBondContact O-NH2 2.98Å
64V95.5Very high97.1Very high2 Ų224 Ų241%0.01215%0.149CC..  trans-134.4122.6-176.2177.20000110.1L47 T57 D61 L67 Y218 W301L47-V64 HydrophobicContact CB-CB 4.48Å; L47-V64 HydrophobicContact CB-CG1 3.68Å; L47-V64 HydrophobicContact CB-CG2 3.87Å; L47-V64 HydrophobicContact CD2-CG1 4.5Å; L47-V64 HydrophobicContact CD2-CG2 4.28Å; T57-V64 HydrophobicContact CG2-CG1 4.48Å; D61-V64 PolarHBondContact OD1-N 2.96Å; V64-L67 HydrophobicContact CG1-CD2 3.72Å; V64-Y218 HydrophobicContact CG2-CE1 4.14Å; V64-Y218 HydrophobicContact CG2-CE2 3.92Å; V64-Y218 VanDerWaalsContact CG2-OH 3.27Å; V64-Y218 WeakPolarHBondContact CG2-OH 3.2Å; V64-W301 HydrophobicContact CG2-CH2 3.93Å; V64-W301 HydrophobicContact CG2-CZ2 3.9Å
65S95.4Very high97Very high29 Ų2923.7 Ų23.720%0.20315%0.148CC..SBendtrans-116.6-11.7172.662.90000113.7H45 V184H45-S65 VanDerWaalsContact CB-OG 3.24Å; H45-S65 WeakPolarHBondContact CB-OG 3.15Å; H45-S65 PolarHBondContact O-N 3.44Å; S65-V184 PolarHBondContact O-N 3Å
66I97.8Very high97Very high27 Ų2723.7 Ų23.714%0.13815%0.148CC..EExtended strand (participates in β ladder)trans-132.3125.8174.1-59.8173.4000109.3V41 H45 L46 L47 V182 F190V41-I66 HydrophobicContact CG1-CB 4.46Å; V41-I66 HydrophobicContact CG1-CD1 3.81Å; V41-I66 HydrophobicContact CG1-CG2 4.04Å; H45-I66 PolarHBondContact O-N 2.63Å; L46-I66 CarbonylContact C-O 3.59Å; L46-I66 WeakPolarHBondContact CA-O 3.43Å; L46-I66 HydrophobicContact CD1-CG2 4.34Å; L47-I66 PolarHBondContact N-O 2.92Å; I66-V182 WeakPolarHBondContact CA-O 3.24Å; I66-F190 HydrophobicContact CG2-CZ 4.35Å
67L98.7Very high97.1Very high0 Ų023.6 Ų23.60%015%0.146CC..EExtended strand (participates in β ladder)trans-93.5139.5160.5-53.6177.9000108L47 A55 T57 V64 V88 L90 G181 V182 V184L47-L67 HydrophobicContact CB-CD2 3.91Å; L47-L67 HydrophobicContact CD2-CD2 3.77Å; L47-L67 HydrophobicContact CG-CD2 4.15Å; L47-L67 WeakPolarHBondContact O-CA 3.5Å; A55-L67 HydrophobicContact CB-CD2 4.28Å; T57-L67 HydrophobicContact CG2-CD2 4.31Å; V64-L67 HydrophobicContact CG1-CD2 3.72Å; L67-V88 HydrophobicContact CD1-CG1 4.25Å; L67-L90 HydrophobicContact CB-CB 3.78Å; L67-L90 HydrophobicContact CB-CD1 4.18Å; L67-L90 HydrophobicContact CB-CG 4.5Å; L67-L90 HydrophobicContact CD1-CB 3.92Å; L67-G181 CarbonylContact O-C 3.59Å; L67-G181 WeakPolarHBondContact O-CA 3.41Å; L67-V182 HydrophobicContact CB-CG1 3.74Å; L67-V182 HydrophobicContact CD1-CG1 4.34Å; L67-V182 HydrophobicContact CG-CG1 4.32Å; L67-V182 PolarHBondContact N-O 2.78Å; L67-V182 VanDerWaalsContact N-O 3.1Å; L67-V182 PolarHBondContact O-N 2.94Å; L67-V184 HydrophobicContact CG-CG2 4.21Å
68G98.6Very high97.1Very high0 Ų023.6 Ų23.60%015%0.146CC..EExtended strand (participates in β ladder)trans-145.7151.9-178.300000113.4L47 Y48 V49 I180 F194L47-G68 PolarHBondContact O-N 2.87Å; Y48-G68 CarbonylContact C-O 3.51Å; Y48-G68 WeakPolarHBondContact CA-O 3.43Å; V49-G68 PolarHBondContact N-O 2.59Å; G68-I180 WeakPolarHBondContact CA-O 3.26Å; G68-F194 VanDerWaalsContact CA-CZ 3.41Å
69S98.8Very high97.1Very high0 Ų022.1 Ų22.10%014%0.137CC..EExtended strand (participates in β ladder)trans-149.5150170.1176.80000109.5V49 L77 H92 G179 I180 F194V49-S69 VanDerWaalsContact O-CB 3.29Å; V49-S69 WeakPolarHBondContact O-CB 3.37Å; V49-S69 PolarHBondContact O-OG 2.69Å; V49-S69 VanDerWaalsContact O-OG 3.11Å; S69-L77 WeakPolarHBondContact O-CD1 3.08Å; S69-L77 VanDerWaalsContact OG-CD2 3.27Å; S69-L77 WeakPolarHBondContact OG-CD2 3.16Å; S69-H92 PolarHBondContact OG-ND1 3.22Å; S69-G179 CarbonylContact O-C 3.5Å; S69-G179 WeakPolarHBondContact O-CA 3.21Å; S69-I180 PolarHBondContact N-O 3.46Å; S69-I180 VanDerWaalsContact N-O 3.09Å; S69-I180 PolarHBondContact O-N 2.62Å; S69-F194 VanDerWaalsContact O-CE2 3.28Å; S69-F194 WeakPolarHBondContact O-CE2 3.09Å
70D97.7Very high97.2Very high16 Ų1620 Ų209%0.08612%0.124CC..  trans-134.1-173.9-179.2-143-22.1000111.9Y48 A72 H92 Y178 G179 S193 F194Y48-D70 HydrophobicContact CE2-CB 4.02Å; Y48-D70 WeakPolarHBondContact OH-CB 3.43Å; Y48-D70 PolarHBondContact OH-N 2.86Å; D70-A72 PolarHBondContact O-N 2.9Å; D70-H92 PolarHBondContact O-CE1 3.3Å; D70-Y178 CarbonylContact C-O 3.4Å; D70-Y178 VanDerWaalsContact OD1-C 3.32Å; D70-G179 WeakPolarHBondContact OD1-CA 3.18Å; D70-G179 PolarHBondContact OD1-N 2.54Å; D70-S193 WeakPolarHBondContact OD2-CA 3.3Å; D70-F194 HydrophobicContact CB-CD2 3.71Å; D70-F194 HydrophobicContact CB-CE2 4.32Å; D70-F194 PolarHBondContact OD2-N 2.97Å
71D97.1Very high97.3Very high36 Ų3617.3 Ų17.319%0.19310%0.097CC..  trans61.124.7174.2-55.3-21.7000113T73 Y178 K197 P261 H263D71-T73 PolarHBondContact O-N 2.89Å; D71-Y178 PolarHBondContact N-O 3.11Å; D71-K197 VanDerWaalsContact CG-NZ 3.28Å; D71-K197 IonicContact OD1-NZ 3.86Å; D71-K197 PolarHBondContact OD1-NZ 3.48Å; D71-K197 IonicContact OD2-NZ 2.65Å; D71-K197 PolarHBondContact OD2-NZ 3.2Å; D71-P261 HydrophobicContact CB-CG 4.23Å; D71-H263 IonicContact OD1-CE1 3.35Å; D71-H263 PolarHBondContact OD1-CE1 3.21Å; D71-H263 IonicContact OD1-NE2 2.65Å; D71-H263 PolarHBondContact OD1-NE2 3.04Å; D71-H263 VanDerWaalsContact OD1-NE2 3.11Å; D71-H263 IonicContact OD2-CE1 2.91Å; D71-H263 IonicContact OD2-NE2 3.82Å; D71-H263 PolarHBondContact OD2-NE2 3.37Å
72A97.1Very high97.5Very high0 Ų017.2 Ų17.20%010%0.096CC..  trans-75.196.8175.500000110.4D70 L77 Y178D70-A72 PolarHBondContact O-N 2.9Å; A72-L77 HydrophobicContact CB-CD1 4.04Å; A72-L77 HydrophobicContact CB-CD2 3.93Å; A72-L77 HydrophobicContact CB-CG 3.78Å; A72-Y178 VanDerWaalsContact CB-O 3.25Å; A72-Y178 WeakPolarHBondContact CB-O 3.35Å; A72-Y178 PolarHBondContact N-O 2.88Å
73T97.1Very high97.8Very high4 Ų412.2 Ų12.23%0.0257%0.071CC..SBendtrans-85-87.8171.3550000110.7D71 G128 Y178 S256 E260D71-T73 PolarHBondContact O-N 2.89Å; T73-G128 CarbonylContact O-C 3.5Å; T73-G128 WeakPolarHBondContact O-CA 3.11Å; T73-G128 PolarHBondContact O-N 3.07Å; T73-Y178 HydrophobicContact CG2-CD1 4.36Å; T73-Y178 HydrophobicContact CG2-CE1 3.97Å; T73-S256 WeakPolarHBondContact CB-OG 3.3Å; T73-S256 PolarHBondContact OG1-OG 3.32Å; T73-E260 WeakPolarHBondContact CG2-OE2 3.47Å
74T98.2Very high98Very high12 Ų1212.1 Ų12.17%0.0748%0.077CC..SBendtrans-83.2-16.6173.857.50000112.8H76 F129 D131 R135 T255T74-H76 PolarHBondContact O-ND1 3.23Å; T74-F129 HydrophobicContact CG2-CE1 3.98Å; T74-D131 HydrophobicContact CG2-CB 4.16Å; T74-R135 HydrophobicContact CG2-CB 4.29Å; T74-T255 PolarHBondContact OG1-OG1 3.15Å
75C98.3Very high98Very high4 Ų413.5 Ų13.53%0.0279%0.087CC..SBendtrans-73169.1178.912.60000112.3H92 L93 D94 G127 G128C75-H92 WeakPolarHBondContact CB-NE2 3.31Å; C75-H92 PolarHBondContact SG-NE2 3.04Å; C75-L93 CarbonylContact C-O 2.99Å; C75-L93 VanDerWaalsContact CA-O 3.31Å; C75-L93 WeakPolarHBondContact CA-O 3.45Å; C75-L93 WeakPolarHBondContact CB-O 3.45Å; C75-D94 HydrophobicContact CB-CB 4.37Å; C75-G127 CarbonylContact O-C 3.41Å; C75-G128 PolarHBondContact O-N 3.07Å
76H98.9Very high98.2Very high0 Ų012.3 Ų12.30%08%0.08CC..EExtended strand (participates in β ladder)trans-128.5136.1-179.5-74.246.4000111.3T74 L93 L125 L139 S140 I143T74-H76 PolarHBondContact O-ND1 3.23Å; H76-L93 PolarHBondContact N-O 3.44Å; H76-L93 PolarHBondContact O-N 3.13Å; H76-L125 HydrophobicContact CB-CD1 4.14Å; H76-L139 HydrophobicContact CB-CD2 4.25Å; H76-S140 PolarHBondContact CE1-OG 3.49Å; H76-S140 PolarHBondContact NE2-OG 2.98Å; H76-I143 HydrophobicContact CB-CD1 3.58Å
77L98.9Very high98.2Very high1 Ų111 Ų111%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-95.2119.6172.6-50.6-177.1000107.9S69 A72 H92 V126 I180S69-L77 WeakPolarHBondContact O-CD1 3.08Å; S69-L77 VanDerWaalsContact OG-CD2 3.27Å; S69-L77 WeakPolarHBondContact OG-CD2 3.16Å; A72-L77 HydrophobicContact CB-CD1 4.04Å; A72-L77 HydrophobicContact CB-CD2 3.93Å; A72-L77 HydrophobicContact CB-CG 3.78Å; L77-H92 HydrophobicContact CD2-CB 3.86Å; L77-H92 VanDerWaalsContact CD2-CG 3.46Å; L77-V126 PolarHBondContact N-O 3.31Å; L77-V126 PolarHBondContact O-N 3.32Å; L77-I180 HydrophobicContact CB-CD1 3.57Å; L77-I180 HydrophobicContact CB-CG1 3.89Å; L77-I180 HydrophobicContact CD1-CB 4.32Å; L77-I180 HydrophobicContact CD1-CD1 4.34Å; L77-I180 HydrophobicContact CD1-CG1 3.74Å; L77-I180 HydrophobicContact CD1-CG2 4.26Å; L77-I180 HydrophobicContact CG-CG1 4.46Å
78V98.9Very high98.2Very high0 Ų011 Ų110%07%0.073CC..EExtended strand (participates in β ladder)trans-114124.5-176.7-175.40000108.2L90 S91 L93 I105 L123 L125 I143 F147V78-L90 WeakPolarHBondContact O-CA 3.25Å; V78-S91 WeakPolarHBondContact CB-OG 3.46Å; V78-S91 PolarHBondContact N-O 2.82Å; V78-S91 PolarHBondContact O-N 3.5Å; V78-S91 PolarHBondContact O-OG 2.82Å; V78-L93 HydrophobicContact CB-CD1 4.26Å; V78-L93 HydrophobicContact CG2-CD1 3.74Å; V78-L93 HydrophobicContact CG2-CD2 4.13Å; V78-L93 HydrophobicContact CG2-CG 4.44Å; V78-I105 HydrophobicContact CG1-CD1 4.37Å; V78-L123 HydrophobicContact CG1-CD1 3.65Å; V78-L125 HydrophobicContact CB-CD1 4.48Å; V78-L125 HydrophobicContact CG2-CD1 3.6Å; V78-I143 HydrophobicContact CG2-CD1 4.3Å; V78-I143 HydrophobicContact CG2-CG2 4.42Å; V78-F147 HydrophobicContact CG1-CE2 3.83Å; V78-F147 HydrophobicContact CG1-CZ 3.79Å
79V98.9Very high98.2Very high0 Ų011 Ų110%07%0.073CC..EExtended strand (participates in β ladder)trans-114.1126.1169.1178.20000108.8V88 C89 L90 L123 H124 I180 V182 V189V79-V88 HydrophobicContact CG1-CG2 3.69Å; V79-C89 VanDerWaalsContact CA-O 3.25Å; V79-C89 WeakPolarHBondContact CA-O 3.45Å; V79-L90 HydrophobicContact CG2-CB 4.28Å; V79-L90 HydrophobicContact CG2-CD1 3.97Å; V79-L90 HydrophobicContact CG2-CG 4.11Å; V79-L123 WeakPolarHBondContact O-CA 3.36Å; V79-H124 HydrophobicContact CB-CB 4.15Å; V79-H124 PolarHBondContact N-O 3.27Å; V79-H124 PolarHBondContact O-N 2.95Å; V79-I180 HydrophobicContact CG2-CD1 3.83Å; V79-V182 HydrophobicContact CG1-CB 4.35Å; V79-V182 HydrophobicContact CG1-CG1 4.31Å; V79-V182 HydrophobicContact CG1-CG2 4.17Å; V79-V182 HydrophobicContact CG2-CB 4.41Å; V79-V182 HydrophobicContact CG2-CG1 4.29Å; V79-V189 HydrophobicContact CB-CG2 4.44Å; V79-V189 HydrophobicContact CG1-CG2 4.24Å
80L98.9Very high98.2Very high0 Ų011 Ų110%07%0.073CC..EExtended strand (participates in β ladder)trans-117.1125.7170.5-175.772.5000108.4V88 C89 I105 M106 V109 F121 E122 L123 I154L80-V88 CarbonylContact O-C 3.56Å; L80-V88 WeakPolarHBondContact O-CA 3.28Å; L80-C89 PolarHBondContact N-O 2.81Å; L80-C89 PolarHBondContact O-N 3.47Å; L80-I105 HydrophobicContact CB-CG2 3.72Å; L80-I105 HydrophobicContact CD2-CG2 3.87Å; L80-I105 HydrophobicContact CG-CG2 4.46Å; L80-M106 HydrophobicContact CD1-SD 4.43Å; L80-M106 HydrophobicContact CD2-CE 4.44Å; L80-M106 HydrophobicContact CD2-CG 4.43Å; L80-M106 HydrophobicContact CD2-SD 3.38Å; L80-M106 WeakPolarHBondContact CD2-SD 3.32Å; L80-V109 HydrophobicContact CB-CG2 4.04Å; L80-V109 HydrophobicContact CD2-CB 3.98Å; L80-V109 HydrophobicContact CD2-CG2 3.79Å; L80-V109 HydrophobicContact CG-CB 4.42Å; L80-V109 HydrophobicContact CG-CG2 4.01Å; L80-V109 WeakPolarHBondContact O-CG2 3.48Å; L80-F121 HydrophobicContact CD1-CB 4.21Å; L80-F121 HydrophobicContact CD2-CD1 4.44Å; L80-F121 HydrophobicContact CG-CD1 4.44Å; L80-E122 WeakPolarHBondContact CA-O 3.41Å; L80-L123 HydrophobicContact CD1-CB 4.43Å; L80-L123 HydrophobicContact CD1-CD1 4.46Å; L80-I154 HydrophobicContact CD1-CG2 4.16Å
81R98.6Very high98.3Very high21 Ų2110.3 Ų10.38%0.0797%0.069CC..EExtended strand (participates in β ladder)trans-126.1137.5179.7-177.8176.7177.892.4-7.8110.7G86 A87 V88 F121 E122 V184 K185R81-G86 PolarHBondContact NH1-O 3.27Å; R81-G86 VanDerWaalsContact NH1-O 3.13Å; R81-A87 CarbonylContact C-O 3.6Å; R81-A87 VanDerWaalsContact CA-O 3.27Å; R81-A87 WeakPolarHBondContact CA-O 3.48Å; R81-V88 HydrophobicContact CB-CB 4.41Å; R81-V88 HydrophobicContact CB-CG2 4.22Å; R81-V88 HydrophobicContact CG-CB 4.31Å; R81-F121 CarbonylContact O-C 3.53Å; R81-F121 WeakPolarHBondContact O-CA 3.39Å; R81-E122 PolarHBondContact N-O 2.93Å; R81-E122 PolarHBondContact O-N 3.36Å; R81-V184 PolarHBondContact NH1-O 2.81Å; R81-K185 PolarHBondContact NH2-O 2.94Å; R81-K185 VanDerWaalsContact NH2-O 3.15Å
82H98.5Very high98.4Very high11 Ų118.7 Ų8.75%0.0516%0.06CC..EExtended strand (participates in β ladder)trans-96.2121.1164.8-176.8-103000109.4G84 S85 G86 A87 V109 S113 E118 R120 F121H82-G84 PolarHBondContact O-N 3.1Å; H82-S85 PolarHBondContact ND1-N 2.86Å; H82-S85 PolarHBondContact ND1-OG 3.06Å; H82-G86 CarbonylContact O-C 3.55Å; H82-G86 WeakPolarHBondContact O-CA 3.44Å; H82-G86 PolarHBondContact O-N 3.33Å; H82-A87 PolarHBondContact N-O 2.85Å; H82-V109 HydrophobicContact CB-CG1 3.87Å; H82-S113 WeakPolarHBondContact CB-OG 3.32Å; H82-E118 PolarHBondContact CE1-O 2.68Å; H82-E118 PolarHBondContact NE2-O 3.42Å; H82-R120 WeakPolarHBondContact CA-O 3.47Å; H82-F121 HydrophobicContact CB-CD1 4.17Å; H82-F121 HydrophobicContact CB-CE1 4.02Å; H82-F121 AromaticContact CD2-CE1 3.91Å; H82-F121 AromaticContact CD2-CZ 3.91Å
83T97.8Very high98.4Very high50 Ų508.7 Ų8.731%0.3076%0.06SC..THydrogen-bonded Turntrans-74.5-27.9-167.957.30000114.5G119 R120 E122T83-G119 VanDerWaalsContact OG1-CA 3.27Å; T83-G119 WeakPolarHBondContact OG1-CA 3.37Å; T83-R120 HydrophobicContact CG2-CG 4.23Å; T83-R120 PolarHBondContact N-O 2.78Å; T83-R120 PolarHBondContact OG1-N 2.96Å; T83-R120 PolarHBondContact OG1-O 2.86Å; T83-E122 HydrophobicContact CG2-CG 3.77Å; T83-E122 WeakPolarHBondContact CG2-OE1 3.37Å; T83-E122 WeakPolarHBondContact CG2-OE2 3.36Å
84G97.4Very high98.5Very high41 Ų4110.2 Ų10.242%0.4237%0.068SC..THydrogen-bonded Turntrans-76.7-48.7179.900000113H82 C116 E118H82-G84 PolarHBondContact O-N 3.1Å; G84-C116 VanDerWaalsContact C-SG 3.55Å; G84-E118 WeakPolarHBondContact CA-O 3.23Å
85S97.3Very high98.4Very high32 Ų3211.2 Ų11.222%0.2248%0.081CC..THydrogen-bonded Turntrans-78.6-22.1177.162.10000112.7H82 A87 S113 C116H82-S85 PolarHBondContact ND1-N 2.86Å; H82-S85 PolarHBondContact ND1-OG 3.06Å; S85-A87 PolarHBondContact O-N 2.99Å; S85-A87 WeakPolarHBondContact OG-CB 3.5Å; S85-A87 PolarHBondContact OG-N 2.84Å; S85-S113 WeakPolarHBondContact OG-CB 3.5Å; S85-S113 PolarHBondContact OG-OG 3.32Å; S85-C116 PolarHBondContact N-SG 3.25Å
86G97.9Very high98.2Very high4 Ų413.6 Ų13.64%0.04110%0.098CC..  trans71.93.9-169.300000114P59 R81 H82 V88P59-G86 WeakPolarHBondContact CD-O 3.46Å; R81-G86 PolarHBondContact NH1-O 3.27Å; R81-G86 VanDerWaalsContact NH1-O 3.13Å; H82-G86 CarbonylContact O-C 3.55Å; H82-G86 WeakPolarHBondContact O-CA 3.44Å; H82-G86 PolarHBondContact O-N 3.33Å; G86-V88 PolarHBondContact O-N 2.88Å
87A98.4Very high98.1Very high0 Ų016 Ų160%011%0.114CC..  trans-56.6131.9177.100000110T57 T58 R81 H82 S85 V109 L112 S113T57-A87 WeakPolarHBondContact O-CA 3.48Å; T58-A87 HydrophobicContact CG2-CB 4.08Å; R81-A87 CarbonylContact C-O 3.6Å; R81-A87 VanDerWaalsContact CA-O 3.27Å; R81-A87 WeakPolarHBondContact CA-O 3.48Å; H82-A87 PolarHBondContact N-O 2.85Å; S85-A87 PolarHBondContact O-N 2.99Å; S85-A87 WeakPolarHBondContact OG-CB 3.5Å; S85-A87 PolarHBondContact OG-N 2.84Å; A87-V109 HydrophobicContact CB-CG1 4.18Å; A87-L112 HydrophobicContact CB-CB 3.68Å; A87-S113 WeakPolarHBondContact CB-OG 3.29Å
88V98.8Very high98Very high0 Ų016.5 Ų16.50%012%0.118CC..EExtended strand (participates in β ladder)trans-138.9136.9-174.962.30000110.1A56 T57 L67 V79 L80 R81 G86 V182 V184A56-V88 CarbonylContact C-O 3.56Å; A56-V88 WeakPolarHBondContact CA-O 3.37Å; T57-V88 PolarHBondContact N-O 2.77Å; T57-V88 PolarHBondContact O-N 2.93Å; L67-V88 HydrophobicContact CD1-CG1 4.25Å; V79-V88 HydrophobicContact CG1-CG2 3.69Å; L80-V88 CarbonylContact O-C 3.56Å; L80-V88 WeakPolarHBondContact O-CA 3.28Å; R81-V88 HydrophobicContact CB-CB 4.41Å; R81-V88 HydrophobicContact CB-CG2 4.22Å; R81-V88 HydrophobicContact CG-CB 4.31Å; G86-V88 PolarHBondContact O-N 2.88Å; V88-V182 HydrophobicContact CG2-CG1 4.09Å; V88-V182 HydrophobicContact CG2-CG2 3.97Å; V88-V184 HydrophobicContact CG1-CB 4.32Å; V88-V184 HydrophobicContact CG1-CG1 4.06Å; V88-V184 HydrophobicContact CG1-CG2 4.09Å
89C98.9Very high97.9Very high0 Ų024.6 Ų24.60%015%0.148CC..EExtended strand (participates in β ladder)trans-119.4134.5172.6-1800000109A55 A56 V79 L80 I105 V109A55-C89 VanDerWaalsContact O-CA 3.29Å; A55-C89 WeakPolarHBondContact O-CA 3.38Å; A56-C89 HydrophobicContact CB-CB 3.8Å; V79-C89 VanDerWaalsContact CA-O 3.25Å; V79-C89 WeakPolarHBondContact CA-O 3.45Å; L80-C89 PolarHBondContact N-O 2.81Å; L80-C89 PolarHBondContact O-N 3.47Å; C89-I105 HydrophobicContact CB-CG2 4.28Å; C89-V109 HydrophobicContact CB-CG2 3.36Å
90L98.9Very high97.9Very high0 Ų028.2 Ų28.20%017%0.17CC..EExtended strand (participates in β ladder)trans-114.7135.1165.7-176.6149.3000108.7V49 F54 A55 L67 V78 V79 I180 V182V49-L90 HydrophobicContact CB-CD2 3.64Å; V49-L90 HydrophobicContact CG1-CD2 4.06Å; V49-L90 HydrophobicContact CG2-CD2 3.76Å; F54-L90 VanDerWaalsContact CA-O 3.28Å; F54-L90 WeakPolarHBondContact CA-O 3.47Å; A55-L90 PolarHBondContact N-O 3.41Å; A55-L90 PolarHBondContact O-N 2.79Å; L67-L90 HydrophobicContact CB-CB 3.78Å; L67-L90 HydrophobicContact CB-CD1 4.18Å; L67-L90 HydrophobicContact CB-CG 4.5Å; L67-L90 HydrophobicContact CD1-CB 3.92Å; V78-L90 WeakPolarHBondContact O-CA 3.25Å; V79-L90 HydrophobicContact CG2-CB 4.28Å; V79-L90 HydrophobicContact CG2-CD1 3.97Å; V79-L90 HydrophobicContact CG2-CG 4.11Å; L90-I180 HydrophobicContact CD1-CG1 4.18Å; L90-V182 HydrophobicContact CB-CG1 4.34Å; L90-V182 HydrophobicContact CD1-CG1 4.06Å
91S98.9Very high97.9Very high0 Ų028.3 Ų28.30%017%0.171CC..EExtended strand (participates in β ladder)trans-142.5148.2179.559.10000111.9E53 F54 V78 L93 I105E53-S91 WeakPolarHBondContact O-CA 3.33Å; F54-S91 VanDerWaalsContact CB-CB 3.48Å; V78-S91 WeakPolarHBondContact CB-OG 3.46Å; V78-S91 PolarHBondContact N-O 2.82Å; V78-S91 PolarHBondContact O-N 3.5Å; V78-S91 PolarHBondContact O-OG 2.82Å; S91-L93 VanDerWaalsContact OG-CD1 3.23Å; S91-L93 WeakPolarHBondContact OG-CD1 3.44Å; S91-I105 WeakPolarHBondContact OG-CD1 3.28Å
92H98.9Very high97.8Very high3 Ų327.3 Ų27.31%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-115.6103.6-179.9-172.7157.4000110.4Q50 R52 E53 S69 D70 C75 L77Q50-H92 WeakPolarHBondContact O-CB 3.34Å; R52-H92 PolarHBondContact N-O 2.77Å; E53-H92 PolarHBondContact O-N 3.11Å; E53-H92 VanDerWaalsContact O-N 3.12Å; S69-H92 PolarHBondContact OG-ND1 3.22Å; D70-H92 PolarHBondContact O-CE1 3.3Å; C75-H92 WeakPolarHBondContact CB-NE2 3.31Å; C75-H92 PolarHBondContact SG-NE2 3.04Å; L77-H92 HydrophobicContact CD2-CB 3.86Å; L77-H92 VanDerWaalsContact CD2-CG 3.46Å
93L98.8Very high97.8Very high0 Ų031.2 Ų31.20%019%0.185CC..EExtended strand (participates in β ladder)trans-98.1134.4-175.2-74.666.2000110.4C75 H76 V78 S91 T98 E101 I105 I143 M214C75-L93 CarbonylContact C-O 2.99Å; C75-L93 VanDerWaalsContact CA-O 3.31Å; C75-L93 WeakPolarHBondContact CA-O 3.45Å; C75-L93 WeakPolarHBondContact CB-O 3.45Å; H76-L93 PolarHBondContact N-O 3.44Å; H76-L93 PolarHBondContact O-N 3.13Å; V78-L93 HydrophobicContact CB-CD1 4.26Å; V78-L93 HydrophobicContact CG2-CD1 3.74Å; V78-L93 HydrophobicContact CG2-CD2 4.13Å; V78-L93 HydrophobicContact CG2-CG 4.44Å; S91-L93 VanDerWaalsContact OG-CD1 3.23Å; S91-L93 WeakPolarHBondContact OG-CD1 3.44Å; L93-T98 HydrophobicContact CD2-CG2 4.41Å; L93-E101 HydrophobicContact CD2-CB 4.08Å; L93-E101 HydrophobicContact CG-CB 4.23Å; L93-E101 WeakPolarHBondContact CG-OE2 3.32Å; L93-I105 HydrophobicContact CD1-CD1 4.06Å; L93-I143 HydrophobicContact CB-CD1 4.34Å; L93-I143 HydrophobicContact CD2-CD1 4.01Å; L93-I143 HydrophobicContact CD2-CG1 3.95Å; L93-M214 HydrophobicContact CD1-CE 3.77Å; L93-M214 HydrophobicContact CG-CE 3.89Å
94D98Very high97.8Very high35 Ų3531.6 Ų31.619%0.18719%0.185CC..  trans-112.61.6175.966.8-0.8000113.2Q51 R52 C75 S96Q51-D94 HydrophobicContact CG-CB 3.91Å; Q51-D94 VanDerWaalsContact NE2-CB 3.29Å; Q51-D94 PolarHBondContact NE2-OD2 2.98Å; R52-D94 WeakPolarHBondContact CG-OD2 3.44Å; R52-D94 IonicContact CZ-OD2 3.23Å; R52-D94 IonicContact NE-OD1 2.62Å; R52-D94 IonicContact NE-OD2 3.39Å; R52-D94 PolarHBondContact NE-OD2 2.88Å; R52-D94 IonicContact NH2-OD2 3.29Å; R52-D94 PolarHBondContact NH2-OD2 3.39Å; C75-D94 HydrophobicContact CB-CB 4.37Å; D94-S96 VanDerWaalsContact OD1-CB 3.25Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 3.11Å; D94-S96 PolarHBondContact OD1-OG 2.97Å; D94-S96 PolarHBondContact OD2-OG 2.99Å
95G97Very high97.9Very high34 Ų3429.7 Ų29.735%0.35117%0.165SC..SBendtrans91.210.3179.100000115.5L139G95-L139 VanDerWaalsContact CA-CD1 3.44Å
96S94.3Very high97.9Very high53 Ų5328.5 Ų28.537%0.37116%0.156SC..SBendtrans-66.9-44.4-179.5-59.30000113.5R52 D94R52-S96 PolarHBondContact NE-OG 2.77Å; R52-S96 PolarHBondContact NH2-OG 3.28Å; D94-S96 VanDerWaalsContact OD1-CB 3.25Å; D94-S96 WeakPolarHBondContact OD1-CB 3.44Å; D94-S96 PolarHBondContact OD1-N 3.11Å; D94-S96 PolarHBondContact OD1-OG 2.97Å; D94-S96 PolarHBondContact OD2-OG 2.99Å
97S95.7Very high97.9Very high50 Ų5035 Ų3535%0.3518%0.183SC..SBendtrans-148.948179.8-78.10000112.6R99 T100 E101S97-R99 VanDerWaalsContact C-N 3.27Å; S97-R99 PolarHBondContact O-N 2.85Å; S97-T100 WeakPolarHBondContact O-CB 3.4Å; S97-T100 PolarHBondContact O-N 2.89Å; S97-E101 VanDerWaalsContact C-CD 3.42Å; S97-E101 PolarHBondContact N-OE1 3.32Å; S97-E101 WeakPolarHBondContact O-CG 3.42Å; S97-E101 PolarHBondContact O-N 3.43Å
98T97.6Very high97.9Very high12 Ų1235.8 Ų35.87%0.07419%0.19CC..Hα-helixtrans-39.8-46.4-172.5-47.30000115.1L93 E101 V102 L139 N142 I143L93-T98 HydrophobicContact CD2-CG2 4.41Å; T98-E101 VanDerWaalsContact CA-OE2 3.31Å; T98-E101 WeakPolarHBondContact CA-OE2 3.44Å; T98-E101 PolarHBondContact N-OE2 3.22Å; T98-E101 PolarHBondContact O-N 2.84Å; T98-V102 WeakPolarHBondContact O-CG2 3.48Å; T98-V102 PolarHBondContact O-N 3.38Å; T98-L139 HydrophobicContact CG2-CD1 4.45Å; T98-N142 HydrophobicContact CG2-CB 3.94Å; T98-I143 HydrophobicContact CG2-CB 4.29Å; T98-I143 HydrophobicContact CG2-CG1 3.56Å
99R96.9Very high97.9Very high171 Ų17135.8 Ų35.865%0.64519%0.19SC*.Hα-helixtrans-64.1-45.7-178.6-176.6-178.6179.6-175.9-0.3112.1S97 Q103S97-R99 VanDerWaalsContact C-N 3.27Å; S97-R99 PolarHBondContact O-N 2.85Å; R99-Q103 WeakPolarHBondContact O-CG 3.39Å; R99-Q103 PolarHBondContact O-N 3.41Å
100T97.8Very high97.8Very high75 Ų7538 Ų3846%0.4620%0.203SC..Hα-helixtrans-67.7-41.8178.3-53.40000110.1S97 V102 Q103 L104S97-T100 WeakPolarHBondContact O-CB 3.4Å; S97-T100 PolarHBondContact O-N 2.89Å; T100-V102 PolarHBondContact O-N 2.99Å; T100-Q103 WeakPolarHBondContact O-CB 3.35Å; T100-Q103 PolarHBondContact O-N 3.03Å; T100-Q103 VanDerWaalsContact O-N 3.13Å; T100-L104 WeakPolarHBondContact O-CG 3.31Å; T100-L104 PolarHBondContact O-N 2.99Å
101E98.4Very high97.7Very high2 Ų241.4 Ų41.41%0.00923%0.227CC..Hα-helixtrans-58.2-47.2177.3-69.3160.1-170.600111.9L93 S97 T98 Q103 L104 I105 M214L93-E101 HydrophobicContact CD2-CB 4.08Å; L93-E101 HydrophobicContact CG-CB 4.23Å; L93-E101 WeakPolarHBondContact CG-OE2 3.32Å; S97-E101 VanDerWaalsContact C-CD 3.42Å; S97-E101 PolarHBondContact N-OE1 3.32Å; S97-E101 WeakPolarHBondContact O-CG 3.42Å; S97-E101 PolarHBondContact O-N 3.43Å; T98-E101 VanDerWaalsContact CA-OE2 3.31Å; T98-E101 WeakPolarHBondContact CA-OE2 3.44Å; T98-E101 PolarHBondContact N-OE2 3.22Å; T98-E101 PolarHBondContact O-N 2.84Å; E101-Q103 VanDerWaalsContact C-N 3.3Å; E101-Q103 PolarHBondContact O-N 3.14Å; E101-L104 WeakPolarHBondContact O-CB 3.21Å; E101-L104 PolarHBondContact O-N 3.37Å; E101-L104 VanDerWaalsContact O-N 3.14Å; E101-I105 WeakPolarHBondContact O-CD1 3.25Å; E101-I105 VanDerWaalsContact O-CG1 3.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.29Å; E101-I105 PolarHBondContact O-N 3.13Å; E101-M214 HydrophobicContact CB-CE 4.21Å; E101-M214 HydrophobicContact CG-CB 3.68Å; E101-M214 HydrophobicContact CG-CE 3.8Å; E101-M214 HydrophobicContact CG-CG 4.01Å
102V98.5Very high97.6Very high0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-61.8-37.3175.7169.20000112.1T98 T100 L104 I105 M106 A146 F147 Q150T98-V102 WeakPolarHBondContact O-CG2 3.48Å; T98-V102 PolarHBondContact O-N 3.38Å; T100-V102 PolarHBondContact O-N 2.99Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-I105 PolarHBondContact O-N 3.27Å; V102-M106 HydrophobicContact CG1-CG 4.44Å; V102-M106 WeakPolarHBondContact O-CG 3.33Å; V102-M106 PolarHBondContact O-N 3.06Å; V102-A146 HydrophobicContact CB-CB 3.92Å; V102-A146 HydrophobicContact CG1-CB 4.09Å; V102-A146 HydrophobicContact CG2-CB 3.77Å; V102-F147 HydrophobicContact CG1-CD1 3.64Å; V102-F147 HydrophobicContact CG1-CD2 4.24Å; V102-F147 HydrophobicContact CG1-CE1 3.66Å; V102-F147 HydrophobicContact CG1-CE2 4.23Å; V102-F147 HydrophobicContact CG1-CG 3.96Å; V102-F147 HydrophobicContact CG1-CZ 3.96Å; V102-F147 HydrophobicContact CG2-CD2 4.13Å; V102-F147 HydrophobicContact CG2-CE2 3.8Å; V102-F147 HydrophobicContact CG2-CZ 4.07Å; V102-Q150 HydrophobicContact CG1-CG 4.29Å
103Q97.9Very high97.5Very high93 Ų9344 Ų4444%0.43524%0.242SC..Hα-helixtrans-65.2-38174.9-70.9174.4-17.100112.3R99 T100 E101 K107R99-Q103 WeakPolarHBondContact O-CG 3.39Å; R99-Q103 PolarHBondContact O-N 3.41Å; T100-Q103 WeakPolarHBondContact O-CB 3.35Å; T100-Q103 PolarHBondContact O-N 3.03Å; T100-Q103 VanDerWaalsContact O-N 3.13Å; E101-Q103 VanDerWaalsContact C-N 3.3Å; E101-Q103 PolarHBondContact O-N 3.14Å; Q103-K107 VanDerWaalsContact O-CB 3.27Å; Q103-K107 WeakPolarHBondContact O-CB 3.45Å; Q103-K107 PolarHBondContact O-N 3.26Å
104L98.4Very high97Very high58 Ų5851.2 Ų51.230%0.30428%0.28SS..Hα-helixtrans-64.1-45.3175.6-67.9171.1000111.3F54 T100 E101 V102 K107 A108 M214F54-L104 HydrophobicContact CE1-CB 4.01Å; F54-L104 HydrophobicContact CE1-CD1 4.19Å; F54-L104 HydrophobicContact CZ-CB 4.1Å; T100-L104 WeakPolarHBondContact O-CG 3.31Å; T100-L104 PolarHBondContact O-N 2.99Å; E101-L104 WeakPolarHBondContact O-CB 3.21Å; E101-L104 PolarHBondContact O-N 3.37Å; E101-L104 VanDerWaalsContact O-N 3.14Å; V102-L104 VanDerWaalsContact C-N 3.35Å; L104-K107 PolarHBondContact O-N 2.97Å; L104-A108 WeakPolarHBondContact O-CB 3.41Å; L104-A108 PolarHBondContact O-N 2.82Å; L104-M214 HydrophobicContact CD1-CB 4.34Å; L104-M214 HydrophobicContact CD1-CG 4.19Å
105I98.6Very high96.4Very high1 Ų152.9 Ų52.91%0.00531%0.306CS..Hα-helixtrans-60.3-49.9177.7-64159.3000110.7V78 L80 C89 S91 L93 E101 V102 K107 A108 V109V78-I105 HydrophobicContact CG1-CD1 4.37Å; L80-I105 HydrophobicContact CB-CG2 3.72Å; L80-I105 HydrophobicContact CD2-CG2 3.87Å; L80-I105 HydrophobicContact CG-CG2 4.46Å; C89-I105 HydrophobicContact CB-CG2 4.28Å; S91-I105 WeakPolarHBondContact OG-CD1 3.28Å; L93-I105 HydrophobicContact CD1-CD1 4.06Å; E101-I105 WeakPolarHBondContact O-CD1 3.25Å; E101-I105 VanDerWaalsContact O-CG1 3.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.29Å; E101-I105 PolarHBondContact O-N 3.13Å; V102-I105 PolarHBondContact O-N 3.27Å; I105-K107 VanDerWaalsContact C-N 3.32Å; I105-K107 PolarHBondContact O-N 3.04Å; I105-A108 PolarHBondContact O-N 3.45Å; I105-V109 PolarHBondContact O-N 2.92Å; I105-V109 VanDerWaalsContact O-N 3.11Å
106M98.1Very high96Very high7 Ų753.1 Ų53.13%0.03430%0.302CS..Hα-helixtrans-58.7-45.3177.4-73.2-60.5-55.700111.3L80 V102 A108 V109 T110 F147 Q150 D152 I154L80-M106 HydrophobicContact CD1-SD 4.43Å; L80-M106 HydrophobicContact CD2-CE 4.44Å; L80-M106 HydrophobicContact CD2-CG 4.43Å; L80-M106 HydrophobicContact CD2-SD 3.38Å; L80-M106 WeakPolarHBondContact CD2-SD 3.32Å; V102-M106 HydrophobicContact CG1-CG 4.44Å; V102-M106 WeakPolarHBondContact O-CG 3.33Å; V102-M106 PolarHBondContact O-N 3.06Å; M106-A108 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 2.88Å; M106-V109 PolarHBondContact O-N 3.4Å; M106-T110 WeakPolarHBondContact O-CB 3.33Å; M106-T110 VanDerWaalsContact O-CG2 3.23Å; M106-T110 WeakPolarHBondContact O-CG2 3.4Å; M106-T110 PolarHBondContact O-N 3.46Å; M106-T110 PolarHBondContact O-OG1 2.65Å; M106-F147 HydrophobicContact CG-CE1 4.33Å; M106-F147 HydrophobicContact SD-CD1 4.24Å; M106-F147 HydrophobicContact SD-CE1 3.98Å; M106-Q150 HydrophobicContact CE-CB 4.45Å; M106-Q150 HydrophobicContact CG-CG 3.8Å; M106-Q150 HydrophobicContact SD-CG 4.19Å; M106-D152 HydrophobicContact CE-CB 4.08Å; M106-I154 HydrophobicContact CE-CD1 4.01Å; M106-I154 HydrophobicContact CE-CG1 4.31Å; M106-I154 HydrophobicContact SD-CD1 3.79Å; M106-I154 HydrophobicContact SD-CG1 4.35Å
107K97.9Very high95.4Very high141 Ų14158.4 Ų58.461%0.61333%0.326SS*.Hα-helixtrans-61.6-41.3178-176-179.1177.4-174.60111.7Q103 L104 I105 T110 S111Q103-K107 VanDerWaalsContact O-CB 3.27Å; Q103-K107 WeakPolarHBondContact O-CB 3.45Å; Q103-K107 PolarHBondContact O-N 3.26Å; L104-K107 PolarHBondContact O-N 2.97Å; I105-K107 VanDerWaalsContact C-N 3.32Å; I105-K107 PolarHBondContact O-N 3.04Å; K107-T110 WeakPolarHBondContact CA-OG1 3.49Å; K107-T110 PolarHBondContact O-OG1 3.22Å; K107-T110 VanDerWaalsContact O-OG1 3.09Å; K107-S111 VanDerWaalsContact O-CB 3.24Å; K107-S111 WeakPolarHBondContact O-CB 3.4Å; K107-S111 PolarHBondContact O-N 3.39Å; K107-S111 PolarHBondContact O-OG 2.93Å
108A98.3Very high95.2Very high16 Ų1663.5 Ų63.513%0.13234%0.344CS..Hα-helixtrans-63.2-49.5-179.500000111.7F54 A56 L104 I105 M106 L112F54-A108 HydrophobicContact CD2-CB 4.34Å; F54-A108 HydrophobicContact CE2-CB 3.83Å; A56-A108 HydrophobicContact CB-CB 3.84Å; L104-A108 WeakPolarHBondContact O-CB 3.41Å; L104-A108 PolarHBondContact O-N 2.82Å; I105-A108 PolarHBondContact O-N 3.45Å; M106-A108 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 2.88Å; A108-L112 WeakPolarHBondContact O-CG 3.29Å; A108-L112 PolarHBondContact O-N 2.94Å
109V98.1Very high95.1Very high0 Ų065.4 Ų65.40%037%0.367CS..Hα-helixtrans-70.8-41.2-178.7-175.20000111.8L80 H82 A87 C89 I105 M106 L112 S113 F121L80-V109 HydrophobicContact CB-CG2 4.04Å; L80-V109 HydrophobicContact CD2-CB 3.98Å; L80-V109 HydrophobicContact CD2-CG2 3.79Å; L80-V109 HydrophobicContact CG-CB 4.42Å; L80-V109 HydrophobicContact CG-CG2 4.01Å; L80-V109 WeakPolarHBondContact O-CG2 3.48Å; H82-V109 HydrophobicContact CB-CG1 3.87Å; A87-V109 HydrophobicContact CB-CG1 4.18Å; C89-V109 HydrophobicContact CB-CG2 3.36Å; I105-V109 PolarHBondContact O-N 2.92Å; I105-V109 VanDerWaalsContact O-N 3.11Å; M106-V109 PolarHBondContact O-N 3.4Å; V109-L112 PolarHBondContact O-N 3.48Å; V109-S113 WeakPolarHBondContact O-CB 3.4Å; V109-S113 PolarHBondContact O-N 3.44Å; V109-S113 PolarHBondContact O-OG 2.89Å; V109-F121 HydrophobicContact CB-CE1 4.41Å; V109-F121 HydrophobicContact CG1-CD1 4.1Å; V109-F121 HydrophobicContact CG1-CE1 3.82Å
110T96.6Very high95.1Very high47 Ų4761 Ų6129%0.28835%0.35SS..Hα-helixtrans-62.9-42.8177.150.40000111.5M106 K107 L112 S113 D114 F121M106-T110 WeakPolarHBondContact O-CB 3.33Å; M106-T110 VanDerWaalsContact O-CG2 3.23Å; M106-T110 WeakPolarHBondContact O-CG2 3.4Å; M106-T110 PolarHBondContact O-N 3.46Å; M106-T110 PolarHBondContact O-OG1 2.65Å; K107-T110 WeakPolarHBondContact CA-OG1 3.49Å; K107-T110 PolarHBondContact O-OG1 3.22Å; K107-T110 VanDerWaalsContact O-OG1 3.09Å; T110-L112 VanDerWaalsContact C-N 3.3Å; T110-L112 PolarHBondContact O-N 3.12Å; T110-S113 CarbonylContact O-C 3.55Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-S113 VanDerWaalsContact O-N 3.1Å; T110-D114 PolarHBondContact O-N 2.95Å; T110-F121 HydrophobicContact CG2-CE1 4.05Å; T110-F121 HydrophobicContact CG2-CZ 3.65Å
111S96.8Very high95.1Very high71 Ų7158.4 Ų58.450%0.49733%0.332SS..Hα-helixtrans-62.9-34.6177.5-57.50000112.9K107 S113K107-S111 VanDerWaalsContact O-CB 3.24Å; K107-S111 WeakPolarHBondContact O-CB 3.4Å; K107-S111 PolarHBondContact O-N 3.39Å; K107-S111 PolarHBondContact O-OG 2.93Å; S111-S113 VanDerWaalsContact C-N 3.33Å
112L97.1Very high95.1Very high50 Ų5060 Ų6026%0.26234%0.339SS..Hα-helixtrans-82.6-11.7176.8-70.6174.8000113.5A56 T58 A87 A108 V109 T110A56-L112 HydrophobicContact CB-CD1 3.64Å; T58-L112 HydrophobicContact CG2-CB 4Å; T58-L112 HydrophobicContact CG2-CD1 4.39Å; T58-L112 HydrophobicContact CG2-CD2 4.24Å; T58-L112 HydrophobicContact CG2-CG 4.45Å; A87-L112 HydrophobicContact CB-CB 3.68Å; A108-L112 WeakPolarHBondContact O-CG 3.29Å; A108-L112 PolarHBondContact O-N 2.94Å; V109-L112 PolarHBondContact O-N 3.48Å; T110-L112 VanDerWaalsContact C-N 3.3Å; T110-L112 PolarHBondContact O-N 3.12Å
113S95.6Very high95.1Very high9 Ų960 Ų606%0.06334%0.339CS..THydrogen-bonded Turntrans-1024.4177.8-53.30000112.5H82 S85 A87 V109 T110 S111 G115 C116H82-S113 WeakPolarHBondContact CB-OG 3.32Å; S85-S113 WeakPolarHBondContact OG-CB 3.5Å; S85-S113 PolarHBondContact OG-OG 3.32Å; A87-S113 WeakPolarHBondContact CB-OG 3.29Å; V109-S113 WeakPolarHBondContact O-CB 3.4Å; V109-S113 PolarHBondContact O-N 3.44Å; V109-S113 PolarHBondContact O-OG 2.89Å; T110-S113 CarbonylContact O-C 3.55Å; T110-S113 PolarHBondContact O-N 2.92Å; T110-S113 VanDerWaalsContact O-N 3.1Å; S111-S113 VanDerWaalsContact C-N 3.33Å; S113-G115 PolarHBondContact O-N 3.23Å; S113-C116 WeakPolarHBondContact O-CB 3.35Å; S113-C116 PolarHBondContact O-N 3.3Å
114D90Very high95.1Very high150 Ų15056.2 Ų56.280%0.80232%0.322SS*.THydrogen-bonded Turntrans-57.8135-177.1-166.227.5000111.1T110 C116T110-D114 PolarHBondContact O-N 2.95Å; D114-C116 VanDerWaalsContact C-N 3.3Å; D114-C116 PolarHBondContact O-N 2.88Å
115G84.6Confident95.1Very high71 Ų7153.5 Ų53.573%0.73231%0.308SS*.THydrogen-bonded Turntrans79.1-1.2-17300000116S113S113-G115 PolarHBondContact O-N 3.23Å
116C88.2Confident95.2Very high39 Ų3953.5 Ų53.526%0.26431%0.308SS..  trans-105.8104.6172.9-169.50000110.8G84 S85 S113 D114G84-C116 VanDerWaalsContact C-SG 3.55Å; S85-C116 PolarHBondContact N-SG 3.25Å; S113-C116 WeakPolarHBondContact O-CB 3.35Å; S113-C116 PolarHBondContact O-N 3.3Å; D114-C116 VanDerWaalsContact C-N 3.3Å; D114-C116 PolarHBondContact O-N 2.88Å
117N83.1Confident95.2Very high164 Ų16453.2 Ų53.288%0.87731%0.307SS*.  trans-90.4-7.6178.9-63.8-31.7000113.4
118E91.4Very high95.2Very high156 Ų15646.5 Ų46.573%0.72928%0.277SS*.SBendtrans-92.1150179.3-65.1-177.8-178.400110.7H82 G84H82-E118 PolarHBondContact CE1-O 2.68Å; H82-E118 PolarHBondContact NE2-O 3.42Å; G84-E118 WeakPolarHBondContact CA-O 3.23Å
119G94.8Very high95.2Very high53 Ų5346.1 Ų46.155%0.54627%0.273SS..SBendtrans95.7-162.9179.100000113.8T83T83-G119 VanDerWaalsContact OG1-CA 3.27Å; T83-G119 WeakPolarHBondContact OG1-CA 3.37Å
120R96.2Very high95.2Very high77 Ų7748 Ų4829%0.29128%0.283SS..  trans-154164.9-17767.9-172.8-176.3165.46.3110.9N7 H82 T83 E122 H155 E157N7-R120 PolarHBondContact OD1-NH1 3.45Å; H82-R120 WeakPolarHBondContact CA-O 3.47Å; T83-R120 HydrophobicContact CG2-CG 4.23Å; T83-R120 PolarHBondContact N-O 2.78Å; T83-R120 PolarHBondContact OG1-N 2.96Å; T83-R120 PolarHBondContact OG1-O 2.86Å; R120-E122 HydrophobicContact CG-CG 4.15Å; R120-E122 IonicContact CZ-OE1 3.68Å; R120-E122 VanDerWaalsContact CZ-OE1 3.24Å; R120-E122 IonicContact NE-OE1 3.8Å; R120-E122 PolarHBondContact NE-OE1 3.07Å; R120-E122 IonicContact NH2-OE1 3.92Å; R120-E122 PolarHBondContact NH2-OE1 3.24Å; R120-H155 PolarHBondContact NH1-ND1 2.86Å; R120-E157 IonicContact CZ-OE1 3.24Å; R120-E157 IonicContact NH1-OE1 2.89Å; R120-E157 IonicContact NH2-OE1 2.74Å; R120-E157 PolarHBondContact NH2-OE1 3.17Å
121F97.9Very high95.2Very high21 Ų2146 Ų469%0.09227%0.27CS..EExtended strand (participates in β ladder)trans-83.8128.5169.2-64.2-79.2000110.7L80 R81 H82 V109 T110 D152 I154 H155L80-F121 HydrophobicContact CD1-CB 4.21Å; L80-F121 HydrophobicContact CD2-CD1 4.44Å; L80-F121 HydrophobicContact CG-CD1 4.44Å; R81-F121 CarbonylContact O-C 3.53Å; R81-F121 WeakPolarHBondContact O-CA 3.39Å; H82-F121 HydrophobicContact CB-CD1 4.17Å; H82-F121 HydrophobicContact CB-CE1 4.02Å; H82-F121 AromaticContact CD2-CE1 3.91Å; H82-F121 AromaticContact CD2-CZ 3.91Å; V109-F121 HydrophobicContact CB-CE1 4.41Å; V109-F121 HydrophobicContact CG1-CD1 4.1Å; V109-F121 HydrophobicContact CG1-CE1 3.82Å; T110-F121 HydrophobicContact CG2-CE1 4.05Å; T110-F121 HydrophobicContact CG2-CZ 3.65Å; F121-D152 HydrophobicContact CD2-CB 3.88Å; F121-D152 HydrophobicContact CE2-CB 3.82Å; F121-I154 HydrophobicContact CB-CB 4.45Å; F121-I154 HydrophobicContact CB-CG1 4.07Å; F121-H155 PolarHBondContact O-N 3.45Å
122E98.4Very high95.2Very high35 Ų3549.3 Ų49.316%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-115.5130.6174.3-69.6-177.8169.700109.7L80 R81 T83 R120 H155 E157L80-E122 WeakPolarHBondContact CA-O 3.41Å; R81-E122 PolarHBondContact N-O 2.93Å; R81-E122 PolarHBondContact O-N 3.36Å; T83-E122 HydrophobicContact CG2-CG 3.77Å; T83-E122 WeakPolarHBondContact CG2-OE1 3.37Å; T83-E122 WeakPolarHBondContact CG2-OE2 3.36Å; R120-E122 HydrophobicContact CG-CG 4.15Å; R120-E122 IonicContact CZ-OE1 3.68Å; R120-E122 VanDerWaalsContact CZ-OE1 3.24Å; R120-E122 IonicContact NE-OE1 3.8Å; R120-E122 PolarHBondContact NE-OE1 3.07Å; R120-E122 IonicContact NH2-OE1 3.92Å; R120-E122 PolarHBondContact NH2-OE1 3.24Å; E122-H155 CarbonylContact C-O 3.54Å; E122-H155 WeakPolarHBondContact CA-O 3.22Å; E122-E157 HydrophobicContact CB-CG 3.78Å; E122-E157 HydrophobicContact CG-CG 3.69Å
123L98.7Very high95.1Very high0 Ų051.8 Ų51.80%030%0.296CS..EExtended strand (participates in β ladder)trans-112.3128.7-177.4177.366.6000109.7L3 V78 V79 L80 F147 I154 H155 L156 E157 T158L3-L123 HydrophobicContact CD1-CD2 3.96Å; V78-L123 HydrophobicContact CG1-CD1 3.65Å; V79-L123 WeakPolarHBondContact O-CA 3.36Å; L80-L123 HydrophobicContact CD1-CB 4.43Å; L80-L123 HydrophobicContact CD1-CD1 4.46Å; L123-F147 HydrophobicContact CD1-CD2 4.17Å; L123-F147 HydrophobicContact CD1-CE1 4.12Å; L123-F147 HydrophobicContact CD1-CE2 3.62Å; L123-F147 HydrophobicContact CD1-CZ 3.59Å; L123-F147 HydrophobicContact CD2-CB 4.31Å; L123-F147 HydrophobicContact CD2-CD1 4.39Å; L123-F147 HydrophobicContact CD2-CD2 3.66Å; L123-F147 HydrophobicContact CD2-CE2 3.99Å; L123-F147 HydrophobicContact CD2-CG 3.87Å; L123-F147 HydrophobicContact CD2-CZ 4.48Å; L123-F147 HydrophobicContact CG-CE2 4.49Å; L123-I154 HydrophobicContact CB-CG2 3.64Å; L123-I154 HydrophobicContact CD2-CG2 4.29Å; L123-H155 PolarHBondContact N-O 3.15Å; L123-L156 HydrophobicContact CD2-CD1 4.09Å; L123-L156 HydrophobicContact CG-CD1 4.17Å; L123-E157 PolarHBondContact O-N 2.65Å; L123-T158 PolarHBondContact O-N 2.78Å
124H98.8Very high95.2Very high15 Ų1556 Ų567%0.06931%0.313CS..EExtended strand (participates in β ladder)trans-119.9127.7170.5-50-99.3000108.7V79 T158 V189V79-H124 HydrophobicContact CB-CB 4.15Å; V79-H124 PolarHBondContact N-O 3.27Å; V79-H124 PolarHBondContact O-N 2.95Å; H124-T158 WeakPolarHBondContact CA-O 3.38Å; H124-T158 WeakPolarHBondContact ND1-CB 3.35Å; H124-T158 PolarHBondContact ND1-OG1 2.78Å; H124-V189 HydrophobicContact CB-CG2 4.21Å
125L98.7Very high95.5Very high0 Ų054.6 Ų54.60%030%0.297CS..EExtended strand (participates in β ladder)trans-126.3119.7-177.7-171.465.6000109.2H76 V78 I143 L144 T158 C159 C160 I161H76-L125 HydrophobicContact CB-CD1 4.14Å; V78-L125 HydrophobicContact CB-CD1 4.48Å; V78-L125 HydrophobicContact CG2-CD1 3.6Å; L125-I143 HydrophobicContact CD1-CD1 4.08Å; L125-I143 HydrophobicContact CD1-CG2 3.85Å; L125-I143 HydrophobicContact CD2-CG2 4.13Å; L125-L144 HydrophobicContact CD2-CD2 4.2Å; L125-L144 HydrophobicContact CD2-CG 4.3Å; L125-T158 PolarHBondContact N-O 3.03Å; L125-C159 CarbonylContact O-C 3.47Å; L125-C159 WeakPolarHBondContact O-CA 3.48Å; L125-C160 PolarHBondContact O-N 3.09Å; L125-I161 HydrophobicContact CB-CG2 4.24Å; L125-I161 HydrophobicContact CD2-CD1 3.89Å; L125-I161 HydrophobicContact CD2-CG2 3.81Å; L125-I161 HydrophobicContact CG-CG2 3.52Å
126V98.9Very high96.2Very high1 Ų151.2 Ų51.21%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-138.4137.8-177.4-174.40000109.6F33 L77 T158 C160 V177 I180F33-V126 HydrophobicContact CD1-CG2 4.32Å; F33-V126 HydrophobicContact CE1-CB 4.45Å; F33-V126 HydrophobicContact CE1-CG1 3.85Å; F33-V126 HydrophobicContact CE1-CG2 3.71Å; F33-V126 HydrophobicContact CZ-CG2 3.88Å; L77-V126 PolarHBondContact N-O 3.31Å; L77-V126 PolarHBondContact O-N 3.32Å; V126-T158 HydrophobicContact CG2-CG2 4.17Å; V126-C160 WeakPolarHBondContact CA-O 3.15Å; V126-C160 HydrophobicContact CG1-CB 4.32Å; V126-C160 HydrophobicContact CG2-CB 4.32Å; V126-V177 HydrophobicContact CG1-CB 4.05Å; V126-V177 HydrophobicContact CG1-CG1 3.82Å; V126-I180 HydrophobicContact CB-CD1 4.43Å; V126-I180 HydrophobicContact CB-CG2 3.98Å; V126-I180 HydrophobicContact CG1-CG2 3.82Å; V126-I180 HydrophobicContact CG2-CD1 4.43Å; V126-I180 HydrophobicContact CG2-CG2 4.17Å
127G98.6Very high96.7Very high1 Ų151.1 Ų51.11%0.0126%0.257CS..EExtended strand (participates in β ladder)trans130.8-177.4174.200000113.1C75 C160 I161 T162C75-G127 CarbonylContact O-C 3.41Å; G127-C160 PolarHBondContact N-O 2.94Å; G127-C160 VanDerWaalsContact N-O 3.12Å; G127-I161 WeakPolarHBondContact O-CA 3.41Å; G127-T162 PolarHBondContact O-N 3.27Å; G127-T162 VanDerWaalsContact O-N 3.12Å
128G98.6Very high97.4Very high0 Ų050.1 Ų50.10%025%0.245CC..  trans68.3169.1-16800000112.1T73 C75 S136 N165T73-G128 CarbonylContact O-C 3.5Å; T73-G128 WeakPolarHBondContact O-CA 3.11Å; T73-G128 PolarHBondContact O-N 3.07Å; C75-G128 PolarHBondContact O-N 3.07Å; G128-S136 WeakPolarHBondContact CA-OG 3.35Å; G128-N165 WeakPolarHBondContact O-CB 3.49Å; G128-N165 PolarHBondContact O-ND2 2.74Å
129F98.6Very high97.7Very high8 Ų843.1 Ų43.14%0.03521%0.213CC..  trans-150.6-176.1169.867.9-76000108.6T74 D131 S136 T162 N166 H173 P175 A259T74-F129 HydrophobicContact CG2-CE1 3.98Å; F129-D131 HydrophobicContact CD1-CB 4.31Å; F129-D131 HydrophobicContact CD2-CB 4.23Å; F129-D131 HydrophobicContact CE1-CB 3.81Å; F129-D131 HydrophobicContact CE2-CB 3.71Å; F129-D131 HydrophobicContact CZ-CB 3.48Å; F129-D131 VanDerWaalsContact CZ-CB 3.48Å; F129-D131 PolarHBondContact O-N 3.43Å; F129-S136 PolarHBondContact N-OG 2.93Å; F129-S136 VanDerWaalsContact N-OG 3.1Å; F129-S136 WeakPolarHBondContact O-CB 3.46Å; F129-S136 PolarHBondContact O-OG 3.4Å; F129-S136 VanDerWaalsContact O-OG 3.09Å; F129-T162 WeakPolarHBondContact CA-O 3.42Å; F129-N166 HydrophobicContact CB-CB 4.4Å; F129-H173 HydrophobicContact CD2-CB 3.9Å; F129-H173 HydrophobicContact CE2-CB 3.94Å; F129-H173 WeakPolarHBondContact CE2-O 3.17Å; F129-P175 HydrophobicContact CB-CB 4.01Å; F129-P175 HydrophobicContact CD1-CB 4.39Å; F129-P175 HydrophobicContact CD1-CG 4.18Å; F129-P175 HydrophobicContact CG-CB 4.48Å; F129-A259 HydrophobicContact CE1-CB 3.84Å; F129-A259 HydrophobicContact CE2-CB 4.23Å; F129-A259 HydrophobicContact CZ-CB 3.57Å
130D97.8Very high97.9Very high41 Ų4140.6 Ų40.622%0.21919%0.187CC..  trans-80.770.4175.9-168.831000110.3K134 H137 N166 H173D130-K134 IonicContact OD1-NZ 3.38Å; D130-K134 PolarHBondContact OD1-NZ 2.88Å; D130-K134 IonicContact OD2-NZ 3.06Å; D130-H137 IonicContact OD1-CD2 3.47Å; D130-H137 IonicContact OD1-CE1 3.27Å; D130-H137 IonicContact OD1-NE2 3.89Å; D130-H137 PolarHBondContact OD1-NE2 3.31Å; D130-N166 HydrophobicContact CB-CB 4.13Å; D130-N166 PolarHBondContact N-OD1 3.37Å; D130-H173 PolarHBondContact O-ND1 3.45Å; D130-H173 IonicContact OD2-CE1 3.43Å; D130-H173 IonicContact OD2-ND1 2.99Å
131D97.5Very high98Very high4 Ų439.1 Ų39.12%0.02118%0.184CC..  trans-73.9153.7-17869-80.8000112.9T74 F129 D133 K134 R135 S136T74-D131 HydrophobicContact CG2-CB 4.16Å; F129-D131 HydrophobicContact CD1-CB 4.31Å; F129-D131 HydrophobicContact CD2-CB 4.23Å; F129-D131 HydrophobicContact CE1-CB 3.81Å; F129-D131 HydrophobicContact CE2-CB 3.71Å; F129-D131 HydrophobicContact CZ-CB 3.48Å; F129-D131 VanDerWaalsContact CZ-CB 3.48Å; F129-D131 PolarHBondContact O-N 3.43Å; D131-D133 VanDerWaalsContact C-N 3.31Å; D131-D133 PolarHBondContact O-N 2.92Å; D131-D133 PolarHBondContact OD2-N 3.46Å; D131-K134 PolarHBondContact O-N 3.2Å; D131-K134 PolarHBondContact O-NZ 2.97Å; D131-K134 PolarHBondContact OD2-N 3.35Å; D131-R135 PolarHBondContact OD1-N 3.12Å; D131-R135 WeakPolarHBondContact OD2-CB 3.46Å; D131-R135 PolarHBondContact OD2-N 2.88Å; D131-S136 WeakPolarHBondContact OD1-CA 3.33Å; D131-S136 WeakPolarHBondContact OD1-CB 3.23Å; D131-S136 PolarHBondContact OD1-N 2.82Å; D131-S136 PolarHBondContact OD1-OG 3.27Å
132D94.9Very high98Very high141 Ų14141.5 Ų41.575%0.75420%0.198SC*.THydrogen-bonded Turntrans-61.7-38.4-175.3-66-27.7000112.4K134D132-K134 VanDerWaalsContact C-N 3.27Å; D132-K134 PolarHBondContact O-N 2.89Å
133D95.6Very high98Very high102 Ų10239.8 Ų39.855%0.54519%0.19SC..THydrogen-bonded Turntrans-81.2-3.2-178.2-79.6-4.4000113.3D131 R135D131-D133 VanDerWaalsContact C-N 3.31Å; D131-D133 PolarHBondContact O-N 2.92Å; D131-D133 PolarHBondContact OD2-N 3.46Å; D133-R135 HydrophobicContact CB-CG 3.74Å; D133-R135 PolarHBondContact O-N 2.9Å; D133-R135 VanDerWaalsContact O-N 3.15Å; D133-R135 IonicContact OD2-CZ 3.53Å; D133-R135 IonicContact OD2-NE 3.2Å; D133-R135 PolarHBondContact OD2-NE 2.87Å; D133-R135 IonicContact OD2-NH2 2.84Å; D133-R135 PolarHBondContact OD2-NH2 2.92Å
134K97.1Very high98Very high98 Ų9839.8 Ų39.843%0.42619%0.19SC..  trans53.829.8-174.5-54-59.8173.9-152.40113.6D130 D131 D132 H137 K138D130-K134 IonicContact OD1-NZ 3.38Å; D130-K134 PolarHBondContact OD1-NZ 2.88Å; D130-K134 IonicContact OD2-NZ 3.06Å; D131-K134 PolarHBondContact O-N 3.2Å; D131-K134 PolarHBondContact O-NZ 2.97Å; D131-K134 PolarHBondContact OD2-N 3.35Å; D132-K134 VanDerWaalsContact C-N 3.27Å; D132-K134 PolarHBondContact O-N 2.89Å; K134-H137 HydrophobicContact CB-CB 4.35Å; K134-K138 WeakPolarHBondContact O-CB 3.08Å; K134-K138 PolarHBondContact O-N 3.15Å; K134-K138 VanDerWaalsContact O-N 3.1Å
135R97.8Very high97.9Very high119 Ų11940.6 Ų40.645%0.44920%0.2SC..Hα-helixtrans-65.1-43.8176.3-69.1171.7-175.9-88.1-3.2111T74 D131 D133 K138 L139T74-R135 HydrophobicContact CG2-CB 4.29Å; D131-R135 PolarHBondContact OD1-N 3.12Å; D131-R135 WeakPolarHBondContact OD2-CB 3.46Å; D131-R135 PolarHBondContact OD2-N 2.88Å; D133-R135 HydrophobicContact CB-CG 3.74Å; D133-R135 PolarHBondContact O-N 2.9Å; D133-R135 VanDerWaalsContact O-N 3.15Å; D133-R135 IonicContact OD2-CZ 3.53Å; D133-R135 IonicContact OD2-NE 3.2Å; D133-R135 PolarHBondContact OD2-NE 2.87Å; D133-R135 IonicContact OD2-NH2 2.84Å; D133-R135 PolarHBondContact OD2-NH2 2.92Å; R135-K138 PolarHBondContact O-N 3.34Å; R135-L139 WeakPolarHBondContact O-CB 3.47Å; R135-L139 PolarHBondContact O-N 3.03Å
136S98.6Very high97.8Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-62.3-49179.3-52.90000110.9G128 F129 D131 K138 L139 S140G128-S136 WeakPolarHBondContact CA-OG 3.35Å; F129-S136 PolarHBondContact N-OG 2.93Å; F129-S136 VanDerWaalsContact N-OG 3.1Å; F129-S136 WeakPolarHBondContact O-CB 3.46Å; F129-S136 PolarHBondContact O-OG 3.4Å; F129-S136 VanDerWaalsContact O-OG 3.09Å; D131-S136 WeakPolarHBondContact OD1-CA 3.33Å; D131-S136 WeakPolarHBondContact OD1-CB 3.23Å; D131-S136 PolarHBondContact OD1-N 2.82Å; D131-S136 PolarHBondContact OD1-OG 3.27Å; S136-K138 VanDerWaalsContact C-N 3.34Å; S136-K138 PolarHBondContact O-N 2.95Å; S136-L139 PolarHBondContact O-N 2.9Å; S136-L139 VanDerWaalsContact O-N 3.16Å; S136-S140 WeakPolarHBondContact O-CB 3.32Å; S136-S140 PolarHBondContact O-N 3.36Å; S136-S140 PolarHBondContact O-OG 3.39Å
137H98.3Very high97.7Very high37 Ų3740.9 Ų40.917%0.17120%0.202CC..Hα-helixtrans-53.8-49.1175.3-76.1-90.6000111.9T16 D130 K134 L139 S140 L141 T162 E163T16-H137 PolarHBondContact OG1-CE1 3.28Å; T16-H137 PolarHBondContact OG1-ND1 3.12Å; D130-H137 IonicContact OD1-CD2 3.47Å; D130-H137 IonicContact OD1-CE1 3.27Å; D130-H137 IonicContact OD1-NE2 3.89Å; D130-H137 PolarHBondContact OD1-NE2 3.31Å; K134-H137 HydrophobicContact CB-CB 4.35Å; H137-L139 PolarHBondContact O-N 2.91Å; H137-S140 WeakPolarHBondContact O-CB 3.05Å; H137-S140 PolarHBondContact O-N 3.26Å; H137-L141 WeakPolarHBondContact O-CG 3.46Å; H137-L141 PolarHBondContact O-N 3.46Å; H137-L141 VanDerWaalsContact O-N 3.12Å; H137-T162 HydrophobicContact CB-CG2 4.35Å; H137-T162 WeakPolarHBondContact CD2-CG2 3.36Å; H137-T162 WeakPolarHBondContact CE1-CG2 3.38Å; H137-T162 VanDerWaalsContact CG-CG2 3.46Å; H137-T162 WeakPolarHBondContact ND1-CG2 3.09Å; H137-T162 WeakPolarHBondContact NE2-CG2 3.5Å; H137-E163 IonicContact CE1-OE2 3.11Å
138K98.4Very high97.5Very high144 Ų14441.9 Ų41.963%0.62621%0.206SC*.Hα-helixtrans-61.8-44.4178.5-176.5-179.6179-177.40111.6K134 R135 S136 N142K134-K138 WeakPolarHBondContact O-CB 3.08Å; K134-K138 PolarHBondContact O-N 3.15Å; K134-K138 VanDerWaalsContact O-N 3.1Å; R135-K138 PolarHBondContact O-N 3.34Å; S136-K138 VanDerWaalsContact C-N 3.34Å; S136-K138 PolarHBondContact O-N 2.95Å; K138-N142 WeakPolarHBondContact O-CB 3.44Å; K138-N142 PolarHBondContact O-N 2.98Å; K138-N142 PolarHBondContact O-ND2 3.16Å
139L98.6Very high97.3Very high8 Ų849.1 Ų49.14%0.04224%0.238CC..Hα-helixtrans-66.2-44.4179.4-177.953000111.7H76 G95 T98 R135 S136 H137 L141 N142 I143H76-L139 HydrophobicContact CB-CD2 4.25Å; G95-L139 VanDerWaalsContact CA-CD1 3.44Å; T98-L139 HydrophobicContact CG2-CD1 4.45Å; R135-L139 WeakPolarHBondContact O-CB 3.47Å; R135-L139 PolarHBondContact O-N 3.03Å; S136-L139 PolarHBondContact O-N 2.9Å; S136-L139 VanDerWaalsContact O-N 3.16Å; H137-L139 PolarHBondContact O-N 2.91Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-L141 PolarHBondContact O-N 2.96Å; L139-N142 PolarHBondContact O-N 3.43Å; L139-I143 HydrophobicContact CD1-CD1 3.75Å; L139-I143 HydrophobicContact CD1-CG1 3.89Å; L139-I143 HydrophobicContact CG-CD1 3.75Å; L139-I143 HydrophobicContact CG-CG1 4.35Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.4Å
140S98.6Very high97.2Very high0 Ų050.3 Ų50.30%024%0.243CC..Hα-helixtrans-50.9-53.2173.9-65.70000111.5H76 S136 H137 N142 I143 L144 I161 T162H76-S140 PolarHBondContact CE1-OG 3.49Å; H76-S140 PolarHBondContact NE2-OG 2.98Å; S136-S140 WeakPolarHBondContact O-CB 3.32Å; S136-S140 PolarHBondContact O-N 3.36Å; S136-S140 PolarHBondContact O-OG 3.39Å; H137-S140 WeakPolarHBondContact O-CB 3.05Å; H137-S140 PolarHBondContact O-N 3.26Å; S140-N142 PolarHBondContact O-N 3.42Å; S140-I143 PolarHBondContact O-N 2.89Å; S140-L144 WeakPolarHBondContact O-CB 3.4Å; S140-L144 VanDerWaalsContact O-CG 3.3Å; S140-L144 WeakPolarHBondContact O-CG 3.24Å; S140-L144 PolarHBondContact O-N 3.11Å; S140-I161 WeakPolarHBondContact OG-CD1 3.48Å; S140-T162 PolarHBondContact OG-OG1 3.02Å
141L98.2Very high96.9Very high46 Ų4657.7 Ų57.724%0.24127%0.274CS..Hα-helixtrans-64.1-41.2-179.5-67.4174.8000112F13 R14 T16 H137 L139 A145F13-L141 HydrophobicContact CD2-CD2 3.96Å; F13-L141 HydrophobicContact CE2-CD2 4.05Å; R14-L141 WeakPolarHBondContact O-CD1 3.3Å; T16-L141 HydrophobicContact CG2-CD2 4.45Å; H137-L141 WeakPolarHBondContact O-CG 3.46Å; H137-L141 PolarHBondContact O-N 3.46Å; H137-L141 VanDerWaalsContact O-N 3.12Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-L141 PolarHBondContact O-N 2.96Å; L141-A145 WeakPolarHBondContact O-CB 3.23Å; L141-A145 PolarHBondContact O-N 3.4Å
142N98.2Very high96.7Very high71 Ų7160.6 Ų60.638%0.3829%0.289SS..Hα-helixtrans-63.9-41.7178.4-74-19.2000112.3T98 K138 L139 S140 A146T98-N142 HydrophobicContact CG2-CB 3.94Å; K138-N142 WeakPolarHBondContact O-CB 3.44Å; K138-N142 PolarHBondContact O-N 2.98Å; K138-N142 PolarHBondContact O-ND2 3.16Å; L139-N142 PolarHBondContact O-N 3.43Å; S140-N142 PolarHBondContact O-N 3.42Å; N142-A146 VanDerWaalsContact O-CB 3.24Å; N142-A146 WeakPolarHBondContact O-CB 3.43Å; N142-A146 PolarHBondContact O-N 2.9Å
143I98.5Very high96.7Very high0 Ų059.5 Ų59.50%028%0.279CS..Hα-helixtrans-65.3-51.2178.4-69.4169.4000109.8H76 V78 L93 T98 L125 L139 S140 A145 A146 F147H76-I143 HydrophobicContact CB-CD1 3.58Å; V78-I143 HydrophobicContact CG2-CD1 4.3Å; V78-I143 HydrophobicContact CG2-CG2 4.42Å; L93-I143 HydrophobicContact CB-CD1 4.34Å; L93-I143 HydrophobicContact CD2-CD1 4.01Å; L93-I143 HydrophobicContact CD2-CG1 3.95Å; T98-I143 HydrophobicContact CG2-CB 4.29Å; T98-I143 HydrophobicContact CG2-CG1 3.56Å; L125-I143 HydrophobicContact CD1-CD1 4.08Å; L125-I143 HydrophobicContact CD1-CG2 3.85Å; L125-I143 HydrophobicContact CD2-CG2 4.13Å; L139-I143 HydrophobicContact CD1-CD1 3.75Å; L139-I143 HydrophobicContact CD1-CG1 3.89Å; L139-I143 HydrophobicContact CG-CD1 3.75Å; L139-I143 HydrophobicContact CG-CG1 4.35Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.4Å; S140-I143 PolarHBondContact O-N 2.89Å; I143-A145 VanDerWaalsContact C-N 3.35Å; I143-A145 PolarHBondContact O-N 2.62Å; I143-A146 WeakPolarHBondContact O-CB 3.41Å; I143-A146 PolarHBondContact O-N 3.04Å; I143-A146 VanDerWaalsContact O-N 3.11Å; I143-F147 HydrophobicContact CG2-CD2 3.69Å; I143-F147 HydrophobicContact CG2-CE2 3.66Å; I143-F147 WeakPolarHBondContact O-CD2 3.44Å; I143-F147 PolarHBondContact O-N 3.31Å
144L97.8Very high96.8Very high0 Ų054.6 Ų54.60%025%0.253CS..Hα-helixtrans-59.8-45.1179.9-69.1168.5000111.6L3 F13 L19 L125 S140 A146 F147 Q148 L156 I161L3-L144 HydrophobicContact CD2-CD2 3.97Å; F13-L144 HydrophobicContact CE2-CB 4.15Å; F13-L144 HydrophobicContact CE2-CD1 3.75Å; F13-L144 HydrophobicContact CZ-CB 3.96Å; F13-L144 HydrophobicContact CZ-CD1 3.88Å; F13-L144 HydrophobicContact CZ-CG 4.44Å; L19-L144 HydrophobicContact CD2-CD1 3.75Å; L125-L144 HydrophobicContact CD2-CD2 4.2Å; L125-L144 HydrophobicContact CD2-CG 4.3Å; S140-L144 WeakPolarHBondContact O-CB 3.4Å; S140-L144 VanDerWaalsContact O-CG 3.3Å; S140-L144 WeakPolarHBondContact O-CG 3.24Å; S140-L144 PolarHBondContact O-N 3.11Å; L144-A146 VanDerWaalsContact C-N 3.3Å; L144-A146 PolarHBondContact O-N 2.96Å; L144-F147 PolarHBondContact O-N 3.12Å; L144-Q148 WeakPolarHBondContact O-CB 3.49Å; L144-Q148 WeakPolarHBondContact O-CG 3.49Å; L144-Q148 PolarHBondContact O-N 3.39Å; L144-L156 HydrophobicContact CD2-CD2 4.34Å; L144-I161 HydrophobicContact CD1-CD1 4.31Å
145A96.2Very high96.8Very high32 Ų3251 Ų5126%0.26424%0.238SC..Hα-helixtrans-64.9-32.5176.600000112.8L141 I143 K149L141-A145 WeakPolarHBondContact O-CB 3.23Å; L141-A145 PolarHBondContact O-N 3.4Å; I143-A145 VanDerWaalsContact C-N 3.35Å; I143-A145 PolarHBondContact O-N 2.62Å; A145-K149 VanDerWaalsContact O-CG 3.31Å; A145-K149 WeakPolarHBondContact O-CG 3.3Å; A145-K149 PolarHBondContact O-N 3.04Å
146A97.1Very high96.8Very high7 Ų745.3 Ų45.36%0.05822%0.216CC..Hα-helixtrans-71-38175.500000111.8V102 N142 I143 L144 K149 Q150V102-A146 HydrophobicContact CB-CB 3.92Å; V102-A146 HydrophobicContact CG1-CB 4.09Å; V102-A146 HydrophobicContact CG2-CB 3.77Å; N142-A146 VanDerWaalsContact O-CB 3.24Å; N142-A146 WeakPolarHBondContact O-CB 3.43Å; N142-A146 PolarHBondContact O-N 2.9Å; I143-A146 WeakPolarHBondContact O-CB 3.41Å; I143-A146 PolarHBondContact O-N 3.04Å; I143-A146 VanDerWaalsContact O-N 3.11Å; L144-A146 VanDerWaalsContact C-N 3.3Å; L144-A146 PolarHBondContact O-N 2.96Å; A146-K149 PolarHBondContact O-N 3.11Å; A146-Q150 PolarHBondContact O-NE2 3Å
147F97.3Very high96.8Very high0 Ų047.9 Ų47.90%023%0.228CC..Hα-helixtrans-70.6-38.6173.7-80.4-66.5000112.7L3 V78 V102 M106 L123 I143 L144 K149 Q150 I154L3-F147 HydrophobicContact CD1-CB 4.4Å; V78-F147 HydrophobicContact CG1-CE2 3.83Å; V78-F147 HydrophobicContact CG1-CZ 3.79Å; V102-F147 HydrophobicContact CG1-CD1 3.64Å; V102-F147 HydrophobicContact CG1-CD2 4.24Å; V102-F147 HydrophobicContact CG1-CE1 3.66Å; V102-F147 HydrophobicContact CG1-CE2 4.23Å; V102-F147 HydrophobicContact CG1-CG 3.96Å; V102-F147 HydrophobicContact CG1-CZ 3.96Å; V102-F147 HydrophobicContact CG2-CD2 4.13Å; V102-F147 HydrophobicContact CG2-CE2 3.8Å; V102-F147 HydrophobicContact CG2-CZ 4.07Å; M106-F147 HydrophobicContact CG-CE1 4.33Å; M106-F147 HydrophobicContact SD-CD1 4.24Å; M106-F147 HydrophobicContact SD-CE1 3.98Å; L123-F147 HydrophobicContact CD1-CD2 4.17Å; L123-F147 HydrophobicContact CD1-CE1 4.12Å; L123-F147 HydrophobicContact CD1-CE2 3.62Å; L123-F147 HydrophobicContact CD1-CZ 3.59Å; L123-F147 HydrophobicContact CD2-CB 4.31Å; L123-F147 HydrophobicContact CD2-CD1 4.39Å; L123-F147 HydrophobicContact CD2-CD2 3.66Å; L123-F147 HydrophobicContact CD2-CE2 3.99Å; L123-F147 HydrophobicContact CD2-CG 3.87Å; L123-F147 HydrophobicContact CD2-CZ 4.48Å; L123-F147 HydrophobicContact CG-CE2 4.49Å; I143-F147 HydrophobicContact CG2-CD2 3.69Å; I143-F147 HydrophobicContact CG2-CE2 3.66Å; I143-F147 WeakPolarHBondContact O-CD2 3.44Å; I143-F147 PolarHBondContact O-N 3.31Å; L144-F147 PolarHBondContact O-N 3.12Å; F147-K149 PolarHBondContact O-N 3.12Å; F147-Q150 HydrophobicContact CD1-CG 4.34Å; F147-Q150 WeakPolarHBondContact O-CB 3.5Å; F147-Q150 WeakPolarHBondContact O-CG 3.18Å; F147-Q150 PolarHBondContact O-N 3.31Å; F147-I154 HydrophobicContact CD1-CD1 3.91Å
148Q94.6Very high96.8Very high22 Ų2247.1 Ų47.110%0.10323%0.226CC..THydrogen-bonded Turntrans-61.3-15.1173.5-78.5179.4-35.800114.3M1 P2 L3 L144M1-Q148 HydrophobicContact CE-CB 4.21Å; M1-Q148 HydrophobicContact CE-CG 4.22Å; P2-Q148 VanDerWaalsContact CD-O 3.24Å; P2-Q148 WeakPolarHBondContact CD-O 3.34Å; L3-Q148 HydrophobicContact CB-CG 3.71Å; L3-Q148 HydrophobicContact CD2-CG 3.97Å; L144-Q148 WeakPolarHBondContact O-CB 3.49Å; L144-Q148 WeakPolarHBondContact O-CG 3.49Å; L144-Q148 PolarHBondContact O-N 3.39Å
149K94.3Very high96.7Very high151 Ų15140.2 Ų40.266%0.65720%0.196SC*.THydrogen-bonded Turntrans-98.3-0.4177.5-71173.9-173.5176.30113.6A145 A146 F147A145-K149 VanDerWaalsContact O-CG 3.31Å; A145-K149 WeakPolarHBondContact O-CG 3.3Å; A145-K149 PolarHBondContact O-N 3.04Å; A146-K149 PolarHBondContact O-N 3.11Å; F147-K149 PolarHBondContact O-N 3.12Å
150Q95.1Very high96.7Very high33 Ų3339.9 Ų39.915%0.15419%0.194CC..SBendtrans-71.2167.3174.2-57.5-53-4900110.6P2 V102 M106 A146 F147 I154P2-Q150 WeakPolarHBondContact CD-O 2.87Å; P2-Q150 WeakPolarHBondContact CG-O 3.1Å; V102-Q150 HydrophobicContact CG1-CG 4.29Å; M106-Q150 HydrophobicContact CE-CB 4.45Å; M106-Q150 HydrophobicContact CG-CG 3.8Å; M106-Q150 HydrophobicContact SD-CG 4.19Å; A146-Q150 PolarHBondContact O-NE2 3Å; F147-Q150 HydrophobicContact CD1-CG 4.34Å; F147-Q150 WeakPolarHBondContact O-CB 3.5Å; F147-Q150 WeakPolarHBondContact O-CG 3.18Å; F147-Q150 PolarHBondContact O-N 3.31Å; Q150-I154 HydrophobicContact CB-CD1 3.76Å; Q150-I154 HydrophobicContact CG-CD1 3.98Å
151K92.5Very high96.7Very high196 Ų19639.9 Ų39.985%0.85219%0.194SC*.SBendtrans-87.3-37.9179.2-65.6-177.3179.8179.80111.7
152D93.1Very high96.7Very high66 Ų6637.7 Ų37.735%0.35318%0.183SC..SBendtrans-77.6149.9-175.8-53.3-79.9000112.5P2 M106 F121 I154P2-D152 VanDerWaalsContact CB-O 3.28Å; P2-D152 WeakPolarHBondContact CB-O 3.31Å; P2-D152 VanDerWaalsContact CG-O 3.26Å; P2-D152 WeakPolarHBondContact CG-O 3.5Å; M106-D152 HydrophobicContact CE-CB 4.08Å; F121-D152 HydrophobicContact CD2-CB 3.88Å; F121-D152 HydrophobicContact CE2-CB 3.82Å; D152-I154 PolarHBondContact O-N 3.23Å
153H95Very high96.7Very high117 Ų11736.3 Ų36.354%0.54217%0.174SC..  trans-71119.3171.3-68.9-174.2000110.5F4F4-H153 HydrophobicContact CD2-CB 4.19Å; F4-H153 HydrophobicContact CE2-CB 3.79Å; F4-H153 AromaticContact CE2-CD2 3.72Å; F4-H153 AromaticContact CE2-CG 3.5Å; F4-H153 AromaticContact CE2-ND1 3.82Å; F4-H153 AromaticContact CZ-CE1 3.96Å; F4-H153 AromaticContact CZ-ND1 3.92Å
154I97.6Very high96.7Very high0 Ų037.5 Ų37.50%018%0.18CC..EExtended strand (participates in β ladder)trans-120.6128.3-176.9-60.2151.9000108P2 L3 F4 L80 M106 F121 L123 F147 Q150 D152P2-I154 PolarHBondContact O-N 2.91Å; L3-I154 CarbonylContact C-O 3.5Å; L3-I154 WeakPolarHBondContact CA-O 3.49Å; L3-I154 HydrophobicContact CD1-CB 4Å; L3-I154 HydrophobicContact CD1-CG2 3.77Å; F4-I154 PolarHBondContact N-O 3.34Å; L80-I154 HydrophobicContact CD1-CG2 4.16Å; M106-I154 HydrophobicContact CE-CD1 4.01Å; M106-I154 HydrophobicContact CE-CG1 4.31Å; M106-I154 HydrophobicContact SD-CD1 3.79Å; M106-I154 HydrophobicContact SD-CG1 4.35Å; F121-I154 HydrophobicContact CB-CB 4.45Å; F121-I154 HydrophobicContact CB-CG1 4.07Å; L123-I154 HydrophobicContact CB-CG2 3.64Å; L123-I154 HydrophobicContact CD2-CG2 4.29Å; F147-I154 HydrophobicContact CD1-CD1 3.91Å; Q150-I154 HydrophobicContact CB-CD1 3.76Å; Q150-I154 HydrophobicContact CG-CD1 3.98Å; D152-I154 PolarHBondContact O-N 3.23Å
155H97.8Very high96.7Very high21 Ų2137.5 Ų37.510%0.09718%0.18CC..EExtended strand (participates in β ladder)trans-102.6115.5-178.4-66.4-106.9000109.3F4 N7 R120 F121 E122 L123 E157F4-H155 CarbonylContact O-C 3.57Å; F4-H155 WeakPolarHBondContact O-CA 3.48Å; N7-H155 PolarHBondContact OD1-CE1 2.85Å; N7-H155 PolarHBondContact OD1-ND1 3.1Å; R120-H155 PolarHBondContact NH1-ND1 2.86Å; F121-H155 PolarHBondContact O-N 3.45Å; E122-H155 CarbonylContact C-O 3.54Å; E122-H155 WeakPolarHBondContact CA-O 3.22Å; L123-H155 PolarHBondContact N-O 3.15Å; H155-E157 PolarHBondContact O-N 3.21Å
156L97.8Very high96.8Very high1 Ų137.2 Ų37.21%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-73.1106.2174.3-179.363.1000109.2L3 F4 F5 L10 L26 L123 L144 C159L3-L156 HydrophobicContact CD1-CB 4.32Å; F4-L156 PolarHBondContact O-N 3.11Å; F5-L156 VanDerWaalsContact CD2-O 3.31Å; F5-L156 WeakPolarHBondContact CD2-O 3.42Å; L10-L156 HydrophobicContact CD1-CD2 3.97Å; L26-L156 HydrophobicContact CD1-CD2 4.15Å; L26-L156 HydrophobicContact CD2-CD2 4.04Å; L26-L156 HydrophobicContact CD2-CG 4.31Å; L123-L156 HydrophobicContact CD2-CD1 4.09Å; L123-L156 HydrophobicContact CG-CD1 4.17Å; L144-L156 HydrophobicContact CD2-CD2 4.34Å; L156-C159 HydrophobicContact CD1-CB 4.14Å; L156-C159 HydrophobicContact CD2-CB 3.98Å; L156-C159 HydrophobicContact CG-CB 4.19Å
157E97.3Very high96.9Very high54 Ų5440 Ų4025%0.25219%0.19SC..EExtended strand (participates in β ladder)trans-98-36-176.2-68.8-59.8152.200111.9N29 R120 E122 L123 H155N29-E157 PolarHBondContact ND2-O 3.24Å; R120-E157 IonicContact CZ-OE1 3.24Å; R120-E157 IonicContact NH1-OE1 2.89Å; R120-E157 IonicContact NH2-OE1 2.74Å; R120-E157 PolarHBondContact NH2-OE1 3.17Å; E122-E157 HydrophobicContact CB-CG 3.78Å; E122-E157 HydrophobicContact CG-CG 3.69Å; L123-E157 PolarHBondContact O-N 2.65Å; H155-E157 PolarHBondContact O-N 3.21Å
158T98Very high96.9Very high20 Ų2043.7 Ų43.712%0.12321%0.213CC..EExtended strand (participates in β ladder)trans-131.1129176.3-560000110F33 L123 H124 L125 V126F33-T158 HydrophobicContact CB-CG2 4.2Å; F33-T158 HydrophobicContact CD1-CG2 4.43Å; F33-T158 HydrophobicContact CD2-CG2 3.74Å; F33-T158 HydrophobicContact CE2-CG2 4.24Å; F33-T158 HydrophobicContact CG-CG2 3.85Å; L123-T158 PolarHBondContact O-N 2.78Å; H124-T158 WeakPolarHBondContact CA-O 3.38Å; H124-T158 WeakPolarHBondContact ND1-CB 3.35Å; H124-T158 PolarHBondContact ND1-OG1 2.78Å; L125-T158 PolarHBondContact N-O 3.03Å; V126-T158 HydrophobicContact CG2-CG2 4.17Å
159C98.1Very high96.9Very high0 Ų046 Ų460%023%0.226CC..EExtended strand (participates in β ladder)trans-135.978.3177.5-165.20000109.3L26 A30 L125 L156 I161L26-C159 HydrophobicContact CD2-CB 3.87Å; A30-C159 WeakPolarHBondContact CB-O 3.27Å; L125-C159 CarbonylContact O-C 3.47Å; L125-C159 WeakPolarHBondContact O-CA 3.48Å; L156-C159 HydrophobicContact CD1-CB 4.14Å; L156-C159 HydrophobicContact CD2-CB 3.98Å; L156-C159 HydrophobicContact CG-CB 4.19Å; C159-I161 VanDerWaalsContact SG-CD1 3.58Å
160C98.7Very high96.9Very high0 Ų048.2 Ų48.20%024%0.235CC..EExtended strand (participates in β ladder)trans-107.572.6179.5-173.60000109.5A30 F33 L125 V126 G127A30-C160 HydrophobicContact CB-CB 4.08Å; F33-C160 HydrophobicContact CD1-CB 3.98Å; L125-C160 PolarHBondContact O-N 3.09Å; V126-C160 WeakPolarHBondContact CA-O 3.15Å; V126-C160 HydrophobicContact CG1-CB 4.32Å; V126-C160 HydrophobicContact CG2-CB 4.32Å; G127-C160 PolarHBondContact N-O 2.94Å; G127-C160 VanDerWaalsContact N-O 3.12Å
161I98.6Very high96.8Very high0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-122.1154.7-173.460.9-174.4000113.1F20 L125 G127 S140 L144 C159 E163 M164 N165F20-I161 HydrophobicContact CE2-CG1 4.24Å; F20-I161 HydrophobicContact CZ-CG1 3.9Å; L125-I161 HydrophobicContact CB-CG2 4.24Å; L125-I161 HydrophobicContact CD2-CD1 3.89Å; L125-I161 HydrophobicContact CD2-CG2 3.81Å; L125-I161 HydrophobicContact CG-CG2 3.52Å; G127-I161 WeakPolarHBondContact O-CA 3.41Å; S140-I161 WeakPolarHBondContact OG-CD1 3.48Å; L144-I161 HydrophobicContact CD1-CD1 4.31Å; C159-I161 VanDerWaalsContact SG-CD1 3.58Å; I161-E163 PolarHBondContact O-N 3.18Å; I161-E163 VanDerWaalsContact O-N 3.11Å; I161-M164 WeakPolarHBondContact O-CB 3.27Å; I161-M164 PolarHBondContact O-N 2.83Å; I161-N165 PolarHBondContact O-N 2.87Å
162T98.2Very high97Very high0 Ų043.3 Ų43.30%023%0.234CC..G310 helixtrans51.5-113.1165.5-57.60000112.3G127 F129 H137 S140 M164 N165 N166G127-T162 PolarHBondContact O-N 3.27Å; G127-T162 VanDerWaalsContact O-N 3.12Å; F129-T162 WeakPolarHBondContact CA-O 3.42Å; H137-T162 HydrophobicContact CB-CG2 4.35Å; H137-T162 WeakPolarHBondContact CD2-CG2 3.36Å; H137-T162 WeakPolarHBondContact CE1-CG2 3.38Å; H137-T162 VanDerWaalsContact CG-CG2 3.46Å; H137-T162 WeakPolarHBondContact ND1-CG2 3.09Å; H137-T162 WeakPolarHBondContact NE2-CG2 3.5Å; S140-T162 PolarHBondContact OG-OG1 3.02Å; T162-M164 PolarHBondContact O-N 2.88Å; T162-N165 CarbonylContact O-C 3.53Å; T162-N165 PolarHBondContact O-N 3.5Å; T162-N166 WeakPolarHBondContact O-CB 3.25Å; T162-N166 PolarHBondContact O-N 2.68Å; T162-N166 VanDerWaalsContact O-N 3.1Å
163E97.7Very high97.2Very high43 Ų4343 Ų4320%0.20123%0.23CC..G310 helixtrans-64.4-27.4-178.962.6-93.9-133.500112.8T16 A17 F20 H137 I161 N165T16-E163 WeakPolarHBondContact CB-OE1 3.42Å; T16-E163 VanDerWaalsContact CB-OE2 3.3Å; T16-E163 WeakPolarHBondContact CB-OE2 3.37Å; T16-E163 VanDerWaalsContact OG1-CD 3.26Å; T16-E163 PolarHBondContact OG1-OE1 3.33Å; T16-E163 PolarHBondContact OG1-OE2 3.12Å; A17-E163 VanDerWaalsContact CA-OE1 3.27Å; A17-E163 WeakPolarHBondContact CA-OE1 3.34Å; A17-E163 PolarHBondContact N-OE1 3.26Å; F20-E163 HydrophobicContact CD2-CG 4Å; F20-E163 WeakPolarHBondContact CD2-OE1 3.27Å; F20-E163 HydrophobicContact CE2-CG 4.18Å; H137-E163 IonicContact CE1-OE2 3.11Å; I161-E163 PolarHBondContact O-N 3.18Å; I161-E163 VanDerWaalsContact O-N 3.11Å; E163-N165 VanDerWaalsContact C-N 3.33Å
164M98.3Very high97.3Very high24 Ų2439.7 Ų39.712%0.11821%0.214CC..G310 helixtrans-79-19.7176.2-66.6-57.2105.800112.6F20 Q27 A30 R34 I161 T162F20-M164 HydrophobicContact CD1-CG 3.78Å; F20-M164 HydrophobicContact CD1-SD 4.4Å; F20-M164 HydrophobicContact CD2-CE 4.39Å; F20-M164 HydrophobicContact CD2-CG 3.88Å; F20-M164 HydrophobicContact CE1-CB 4.43Å; F20-M164 HydrophobicContact CE1-CG 3.44Å; F20-M164 VanDerWaalsContact CE1-CG 3.44Å; F20-M164 HydrophobicContact CE2-CB 4.39Å; F20-M164 HydrophobicContact CE2-CG 3.54Å; F20-M164 HydrophobicContact CG-CE 4.45Å; F20-M164 HydrophobicContact CG-CG 4Å; F20-M164 HydrophobicContact CG-SD 4.49Å; F20-M164 HydrophobicContact CZ-CB 4.04Å; F20-M164 HydrophobicContact CZ-CG 3.3Å; Q27-M164 HydrophobicContact CB-SD 3.95Å; Q27-M164 HydrophobicContact CG-SD 3.97Å; A30-M164 HydrophobicContact CB-CB 3.72Å; A30-M164 HydrophobicContact CB-CG 4.07Å; R34-M164 WeakPolarHBondContact CD-O 3.27Å; R34-M164 PolarHBondContact NH1-O 3.02Å; I161-M164 WeakPolarHBondContact O-CB 3.27Å; I161-M164 PolarHBondContact O-N 2.83Å; T162-M164 PolarHBondContact O-N 2.88Å
165N98.6Very high97.3Very high0 Ų039.9 Ų39.90%022%0.215CC..G310 helixtrans-102.710.4173.7-165.137.9000112.5G128 I161 T162 E163 P175 I176 V177G128-N165 WeakPolarHBondContact O-CB 3.49Å; G128-N165 PolarHBondContact O-ND2 2.74Å; I161-N165 PolarHBondContact O-N 2.87Å; T162-N165 CarbonylContact O-C 3.53Å; T162-N165 PolarHBondContact O-N 3.5Å; E163-N165 VanDerWaalsContact C-N 3.33Å; N165-P175 CarbonylContact O-C 3.54Å; N165-P175 VanDerWaalsContact O-CA 3.22Å; N165-P175 WeakPolarHBondContact O-CA 3.29Å; N165-I176 PolarHBondContact O-N 3.12Å; N165-I176 PolarHBondContact OD1-N 3.39Å; N165-V177 PolarHBondContact ND2-O 3.12Å; N165-V177 WeakPolarHBondContact OD1-CB 3.41Å; N165-V177 PolarHBondContact OD1-N 3.22Å
166N98.3Very high97.3Very high26 Ų2641.7 Ų41.714%0.13923%0.225CC..EExtended strand (participates in β ladder)trans-94.1138.5-175.1-174.677.4000113.2F129 D130 T162 H173 I176F129-N166 HydrophobicContact CB-CB 4.4Å; D130-N166 HydrophobicContact CB-CB 4.13Å; D130-N166 PolarHBondContact N-OD1 3.37Å; T162-N166 WeakPolarHBondContact O-CB 3.25Å; T162-N166 PolarHBondContact O-N 2.68Å; T162-N166 VanDerWaalsContact O-N 3.1Å; N166-H173 PolarHBondContact ND2-ND1 2.97Å; N166-H173 VanDerWaalsContact ND2-ND1 3.14Å; N166-H173 WeakPolarHBondContact OD1-CB 3.43Å; N166-H173 PolarHBondContact OD1-ND1 3.26Å; N166-I176 WeakPolarHBondContact O-CD1 3.37Å
167V97.5Very high97.4Very high65 Ų6542.1 Ų42.139%0.39423%0.227SC..EExtended strand (participates in β ladder)trans-127.1147.5163.4620000109.9H173 K174 I176V167-H173 WeakPolarHBondContact O-CA 3.36Å; V167-K174 HydrophobicContact CG1-CB 4.26Å; V167-K174 PolarHBondContact N-O 2.84Å; V167-K174 PolarHBondContact O-N 2.74Å; V167-I176 HydrophobicContact CB-CD1 4.1Å; V167-I176 HydrophobicContact CB-CG1 3.64Å; V167-I176 HydrophobicContact CG1-CG1 3.78Å
168V97.6Very high97.4Very high78 Ų7842 Ų4247%0.47323%0.225SC..EExtended strand (participates in β ladder)trans-106.2113.6173.5-1750000108.7I172V168-I172 WeakPolarHBondContact CA-O 3.3Å
169D94.1Very high97.4Very high71 Ų7141.2 Ų41.238%0.3822%0.221SC..EExtended strand (participates in β ladder)trans-113.7112.9176.8170.839.6000109G171 I172 K174D169-G171 PolarHBondContact O-N 3.04Å; D169-I172 PolarHBondContact N-O 3.5Å; D169-I172 WeakPolarHBondContact O-CB 3.5Å; D169-I172 PolarHBondContact O-N 3.31Å; D169-K174 IonicContact OD2-NZ 2.73Å; D169-K174 PolarHBondContact OD2-NZ 2.82Å
170K94.3Very high97.5Very high197 Ų19741.2 Ų41.286%0.85722%0.221SC*.THydrogen-bonded Turntrans51.439.4-177.3-59.4174.7-175.1175.40113.6I172K170-I172 VanDerWaalsContact C-N 3.28Å; K170-I172 PolarHBondContact O-N 3Å
171G94.3Very high97.5Very high63 Ų6341.2 Ų41.265%0.64922%0.221SC*.THydrogen-bonded Turntrans80.81.6-178.800000114.7D169D169-G171 PolarHBondContact O-N 3.04Å
172I95.4Very high97.5Very high64 Ų6441.2 Ų41.233%0.32822%0.221SC..EExtended strand (participates in β ladder)trans-102.3124177.2-56.8177.9000108.9V168 D169 K170 K174 F258V168-I172 WeakPolarHBondContact CA-O 3.3Å; D169-I172 PolarHBondContact N-O 3.5Å; D169-I172 WeakPolarHBondContact O-CB 3.5Å; D169-I172 PolarHBondContact O-N 3.31Å; K170-I172 VanDerWaalsContact C-N 3.28Å; K170-I172 PolarHBondContact O-N 3Å; I172-K174 HydrophobicContact CG2-CG 4.14Å; I172-F258 HydrophobicContact CG2-CB 3.67Å
173H97.8Very high97.5Very high58 Ų5843.3 Ų43.327%0.26923%0.232SC..EExtended strand (participates in β ladder)trans-74.6133.9173.3-74.3-116.2000110.4F129 D130 N166 V167F129-H173 HydrophobicContact CD2-CB 3.9Å; F129-H173 HydrophobicContact CE2-CB 3.94Å; F129-H173 WeakPolarHBondContact CE2-O 3.17Å; D130-H173 PolarHBondContact O-ND1 3.45Å; D130-H173 IonicContact OD2-CE1 3.43Å; D130-H173 IonicContact OD2-ND1 2.99Å; N166-H173 PolarHBondContact ND2-ND1 2.97Å; N166-H173 VanDerWaalsContact ND2-ND1 3.14Å; N166-H173 WeakPolarHBondContact OD1-CB 3.43Å; N166-H173 PolarHBondContact OD1-ND1 3.26Å; V167-H173 WeakPolarHBondContact O-CA 3.36Å
174K97.7Very high97.5Very high49 Ų4941.3 Ų41.321%0.21322%0.223CC..EExtended strand (participates in β ladder)trans-145.3153.9-179.3-61.4178.7-174.1166.90110.6V167 D169 I172 F258 A259V167-K174 HydrophobicContact CG1-CB 4.26Å; V167-K174 PolarHBondContact N-O 2.84Å; V167-K174 PolarHBondContact O-N 2.74Å; D169-K174 IonicContact OD2-NZ 2.73Å; D169-K174 PolarHBondContact OD2-NZ 2.82Å; I172-K174 HydrophobicContact CG2-CG 4.14Å; K174-F258 WeakPolarHBondContact CE-O 3.28Å; K174-A259 HydrophobicContact CG-CB 4.32Å
175P98Very high97.4Very high3 Ų346.4 Ų46.42%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-69.8146.1169.828.4-30.3000110.7F129 N165 Y178F129-P175 HydrophobicContact CB-CB 4.01Å; F129-P175 HydrophobicContact CD1-CB 4.39Å; F129-P175 HydrophobicContact CD1-CG 4.18Å; F129-P175 HydrophobicContact CG-CB 4.48Å; N165-P175 CarbonylContact O-C 3.54Å; N165-P175 VanDerWaalsContact O-CA 3.22Å; N165-P175 WeakPolarHBondContact O-CA 3.29Å; P175-Y178 HydrophobicContact CB-CE2 4.47Å; P175-Y178 HydrophobicContact CG-CD1 3.95Å; P175-Y178 HydrophobicContact CG-CD2 4.16Å; P175-Y178 HydrophobicContact CG-CE1 3.53Å; P175-Y178 HydrophobicContact CG-CE2 3.75Å; P175-Y178 HydrophobicContact CG-CG 4.27Å; P175-Y178 VanDerWaalsContact CG-CZ 3.42Å; P175-Y178 WeakPolarHBondContact O-CE2 3.46Å
176I98Very high97.4Very high60 Ų6050.7 Ų50.731%0.30827%0.27SS..SBendtrans-81.6-48.1173.5-65.5167.9000109.2R34 N165 N166 V167R34-I176 HydrophobicContact CB-CG2 4.08Å; N165-I176 PolarHBondContact O-N 3.12Å; N165-I176 PolarHBondContact OD1-N 3.39Å; N166-I176 WeakPolarHBondContact O-CD1 3.37Å; V167-I176 HydrophobicContact CB-CD1 4.1Å; V167-I176 HydrophobicContact CB-CG1 3.64Å; V167-I176 HydrophobicContact CG1-CG1 3.78Å
177V98.4Very high97.3Very high9 Ų950 Ų506%0.05527%0.269CS..  trans-106114.9178.6-175.60000109.1F33 R34 V126 N165 G179 I180 P191F33-V177 HydrophobicContact CE1-CG1 4.31Å; F33-V177 HydrophobicContact CE1-CG2 4.39Å; R34-V177 HydrophobicContact CB-CG2 4.03Å; V126-V177 HydrophobicContact CG1-CB 4.05Å; V126-V177 HydrophobicContact CG1-CG1 3.82Å; N165-V177 PolarHBondContact ND2-O 3.12Å; N165-V177 WeakPolarHBondContact OD1-CB 3.41Å; N165-V177 PolarHBondContact OD1-N 3.22Å; V177-G179 VanDerWaalsContact CG1-O 3.27Å; V177-G179 WeakPolarHBondContact CG1-O 3.32Å; V177-I180 HydrophobicContact CG1-CG2 3.95Å; V177-P191 HydrophobicContact CG1-CB 4.13Å; V177-P191 HydrophobicContact CG2-CB 4.46Å; V177-P191 HydrophobicContact CG2-CG 4.34Å
178Y98.4Very high97.4Very high53 Ų5351.9 Ų51.921%0.20827%0.274CS..  trans-94.1-27.9175.6-74.6-100000112.8D70 D71 A72 T73 P175 A259 P261D70-Y178 CarbonylContact C-O 3.4Å; D70-Y178 VanDerWaalsContact OD1-C 3.32Å; D71-Y178 PolarHBondContact N-O 3.11Å; A72-Y178 VanDerWaalsContact CB-O 3.25Å; A72-Y178 WeakPolarHBondContact CB-O 3.35Å; A72-Y178 PolarHBondContact N-O 2.88Å; T73-Y178 HydrophobicContact CG2-CD1 4.36Å; T73-Y178 HydrophobicContact CG2-CE1 3.97Å; P175-Y178 HydrophobicContact CB-CE2 4.47Å; P175-Y178 HydrophobicContact CG-CD1 3.95Å; P175-Y178 HydrophobicContact CG-CD2 4.16Å; P175-Y178 HydrophobicContact CG-CE1 3.53Å; P175-Y178 HydrophobicContact CG-CE2 3.75Å; P175-Y178 HydrophobicContact CG-CG 4.27Å; P175-Y178 VanDerWaalsContact CG-CZ 3.42Å; P175-Y178 WeakPolarHBondContact O-CE2 3.46Å; Y178-A259 VanDerWaalsContact CE1-O 3.23Å; Y178-A259 WeakPolarHBondContact CE1-O 3.41Å; Y178-A259 PolarHBondContact OH-O 2.82Å; Y178-P261 HydrophobicContact CD1-CG 4.15Å; Y178-P261 HydrophobicContact CE1-CG 4.21Å
179G98.6Very high97.4Very high2 Ų248.5 Ų48.52%0.02125%0.253CS..  trans-141.5149.5-174.400000112.8S69 D70 V177 P191 A192S69-G179 CarbonylContact O-C 3.5Å; S69-G179 WeakPolarHBondContact O-CA 3.21Å; D70-G179 WeakPolarHBondContact OD1-CA 3.18Å; D70-G179 PolarHBondContact OD1-N 2.54Å; V177-G179 VanDerWaalsContact CG1-O 3.27Å; V177-G179 WeakPolarHBondContact CG1-O 3.32Å; G179-P191 WeakPolarHBondContact O-CA 3.48Å; G179-A192 CarbonylContact C-O 3.54Å; G179-A192 PolarHBondContact O-N 2.94Å
180I98.9Very high97.6Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-133.5147.7174.970.7-179.9000110.8F33 G68 S69 L77 V79 L90 V126 V177 V189 F190 F194F33-I180 HydrophobicContact CE1-CG2 4.2Å; F33-I180 HydrophobicContact CZ-CG2 3.91Å; G68-I180 WeakPolarHBondContact CA-O 3.26Å; S69-I180 PolarHBondContact N-O 3.46Å; S69-I180 VanDerWaalsContact N-O 3.09Å; S69-I180 PolarHBondContact O-N 2.62Å; L77-I180 HydrophobicContact CB-CD1 3.57Å; L77-I180 HydrophobicContact CB-CG1 3.89Å; L77-I180 HydrophobicContact CD1-CB 4.32Å; L77-I180 HydrophobicContact CD1-CD1 4.34Å; L77-I180 HydrophobicContact CD1-CG1 3.74Å; L77-I180 HydrophobicContact CD1-CG2 4.26Å; L77-I180 HydrophobicContact CG-CG1 4.46Å; V79-I180 HydrophobicContact CG2-CD1 3.83Å; L90-I180 HydrophobicContact CD1-CG1 4.18Å; V126-I180 HydrophobicContact CB-CD1 4.43Å; V126-I180 HydrophobicContact CB-CG2 3.98Å; V126-I180 HydrophobicContact CG1-CG2 3.82Å; V126-I180 HydrophobicContact CG2-CD1 4.43Å; V126-I180 HydrophobicContact CG2-CG2 4.17Å; V177-I180 HydrophobicContact CG1-CG2 3.95Å; I180-V189 HydrophobicContact CB-CG1 4.31Å; I180-V189 HydrophobicContact CD1-CG1 4.02Å; I180-F190 CarbonylContact C-O 3.56Å; I180-F190 VanDerWaalsContact CA-O 3.25Å; I180-F190 WeakPolarHBondContact CA-O 3.5Å; I180-F194 VanDerWaalsContact O-CZ 3.29Å; I180-F194 WeakPolarHBondContact O-CZ 3.36Å
181G98.6Very high97.8Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-110.8152.1163.600000110.5L67 V189 F190L67-G181 CarbonylContact O-C 3.59Å; L67-G181 WeakPolarHBondContact O-CA 3.41Å; G181-V189 WeakPolarHBondContact O-CA 3.33Å; G181-F190 PolarHBondContact N-O 3.34Å; G181-F190 WeakPolarHBondContact O-CD1 3.44Å; G181-F190 PolarHBondContact O-N 2.8Å
182V98.7Very high98Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans-124.8126.216558.90000110.1I66 L67 V79 V88 L90 V184 E188 V189I66-V182 WeakPolarHBondContact CA-O 3.24Å; L67-V182 HydrophobicContact CB-CG1 3.74Å; L67-V182 HydrophobicContact CD1-CG1 4.34Å; L67-V182 HydrophobicContact CG-CG1 4.32Å; L67-V182 PolarHBondContact N-O 2.78Å; L67-V182 VanDerWaalsContact N-O 3.1Å; L67-V182 PolarHBondContact O-N 2.94Å; V79-V182 HydrophobicContact CG1-CB 4.35Å; V79-V182 HydrophobicContact CG1-CG1 4.31Å; V79-V182 HydrophobicContact CG1-CG2 4.17Å; V79-V182 HydrophobicContact CG2-CB 4.41Å; V79-V182 HydrophobicContact CG2-CG1 4.29Å; V88-V182 HydrophobicContact CG2-CG1 4.09Å; V88-V182 HydrophobicContact CG2-CG2 3.97Å; L90-V182 HydrophobicContact CB-CG1 4.34Å; L90-V182 HydrophobicContact CD1-CG1 4.06Å; V182-V184 PolarHBondContact O-N 2.8Å; V182-E188 WeakPolarHBondContact CA-O 3.38Å; V182-V189 HydrophobicContact CB-CG2 4.21Å; V182-V189 HydrophobicContact CG2-CG2 3.99Å
183N98.3Very high98Very high45 Ų4532.3 Ų32.324%0.24116%0.164CC..EExtended strand (participates in β ladder)trans-76117.6172-177.3-45.2000108.9K185 T186 G187 E188N183-K185 VanDerWaalsContact C-N 3.29Å; N183-K185 PolarHBondContact O-N 3.45Å; N183-K185 PolarHBondContact OD1-N 3.5Å; N183-T186 WeakPolarHBondContact CB-OG1 3.32Å; N183-T186 VanDerWaalsContact CG-OG1 3.31Å; N183-T186 PolarHBondContact OD1-N 3.22Å; N183-T186 VanDerWaalsContact OD1-N 3.12Å; N183-G187 VanDerWaalsContact O-CA 3.27Å; N183-G187 WeakPolarHBondContact O-CA 3.25Å; N183-G187 PolarHBondContact O-N 3.14Å; N183-E188 PolarHBondContact N-O 3.48Å
184V98Very high97.9Very high1 Ų130 Ų301%0.00615%0.153CC..THydrogen-bonded Turntrans-62.2-38.4-174.6175.40000111.5T57 T58 S65 L67 R81 V88 V182T57-V184 HydrophobicContact CG2-CB 4.44Å; T57-V184 HydrophobicContact CG2-CG1 3.8Å; T57-V184 HydrophobicContact CG2-CG2 3.7Å; T58-V184 VanDerWaalsContact C-CG1 3.45Å; T58-V184 WeakPolarHBondContact O-CG1 3.18Å; S65-V184 PolarHBondContact O-N 3Å; L67-V184 HydrophobicContact CG-CG2 4.21Å; R81-V184 PolarHBondContact NH1-O 2.81Å; V88-V184 HydrophobicContact CG1-CB 4.32Å; V88-V184 HydrophobicContact CG1-CG1 4.06Å; V88-V184 HydrophobicContact CG1-CG2 4.09Å; V182-V184 PolarHBondContact O-N 2.8Å
185K96.6Very high97.4Very high131 Ų13132 Ų3257%0.5717%0.171SC*.THydrogen-bonded Turntrans-72.1-52-177.5-65.9-173.8176.6-178.40111.3R81 N183R81-K185 PolarHBondContact NH2-O 2.94Å; R81-K185 VanDerWaalsContact NH2-O 3.15Å; N183-K185 VanDerWaalsContact C-N 3.29Å; N183-K185 PolarHBondContact O-N 3.45Å; N183-K185 PolarHBondContact OD1-N 3.5Å
186T97.2Very high97Very high89 Ų8937.3 Ų37.355%0.54620%0.195SC..THydrogen-bonded Turntrans-85.8-23.4-173.7650000113.4N183 E188N183-T186 WeakPolarHBondContact CB-OG1 3.32Å; N183-T186 VanDerWaalsContact CG-OG1 3.31Å; N183-T186 PolarHBondContact OD1-N 3.22Å; N183-T186 VanDerWaalsContact OD1-N 3.12Å; T186-E188 WeakPolarHBondContact OG1-CB 3.42Å; T186-E188 PolarHBondContact OG1-N 3.41Å
187G97.7Very high96.9Very high11 Ų1135.4 Ų35.411%0.11319%0.185CC..  trans78.33.3-170.200000114.2N183 V189N183-G187 VanDerWaalsContact O-CA 3.27Å; N183-G187 WeakPolarHBondContact O-CA 3.25Å; N183-G187 PolarHBondContact O-N 3.14Å; G187-V189 PolarHBondContact O-N 2.86Å
188E98.1Very high96.7Very high105 Ų10536.3 Ų36.349%0.49120%0.196SC..  trans-67.3124.6-178.8-176.8-179.6-167.900111.3V182 N183 T186 F190V182-E188 WeakPolarHBondContact CA-O 3.38Å; N183-E188 PolarHBondContact N-O 3.48Å; T186-E188 WeakPolarHBondContact OG1-CB 3.42Å; T186-E188 PolarHBondContact OG1-N 3.41Å; E188-F190 HydrophobicContact CG-CD1 4.44Å
189V98.7Very high96.6Very high7 Ų734.4 Ų34.44%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-98.4133170.2-171.10000110F33 K36 V79 H124 I180 G181 V182 G187F33-V189 HydrophobicContact CE2-CB 4.26Å; F33-V189 HydrophobicContact CE2-CG1 3.91Å; F33-V189 WeakPolarHBondContact CE2-O 3.34Å; F33-V189 HydrophobicContact CZ-CG1 4.06Å; K36-V189 PolarHBondContact NZ-O 3.42Å; V79-V189 HydrophobicContact CB-CG2 4.44Å; V79-V189 HydrophobicContact CG1-CG2 4.24Å; H124-V189 HydrophobicContact CB-CG2 4.21Å; I180-V189 HydrophobicContact CB-CG1 4.31Å; I180-V189 HydrophobicContact CD1-CG1 4.02Å; G181-V189 WeakPolarHBondContact O-CA 3.33Å; V182-V189 HydrophobicContact CB-CG2 4.21Å; V182-V189 HydrophobicContact CG2-CG2 3.99Å; G187-V189 PolarHBondContact O-N 2.86Å
190F98.4Very high96.5Very high19 Ų1935.6 Ų35.68%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-145.1149-175.856.6-89000112.4V39 V41 I66 I180 G181 E188 A192V39-F190 HydrophobicContact CB-CD2 3.71Å; V39-F190 HydrophobicContact CB-CE2 3.73Å; V39-F190 HydrophobicContact CG1-CD2 4.41Å; V39-F190 HydrophobicContact CG1-CE2 4Å; V39-F190 HydrophobicContact CG2-CD2 3.64Å; V39-F190 HydrophobicContact CG2-CE2 4.08Å; V39-F190 HydrophobicContact CG2-CG 4.41Å; V41-F190 HydrophobicContact CG2-CE2 3.86Å; V41-F190 HydrophobicContact CG2-CZ 4.27Å; I66-F190 HydrophobicContact CG2-CZ 4.35Å; I180-F190 CarbonylContact C-O 3.56Å; I180-F190 VanDerWaalsContact CA-O 3.25Å; I180-F190 WeakPolarHBondContact CA-O 3.5Å; G181-F190 PolarHBondContact N-O 3.34Å; G181-F190 WeakPolarHBondContact O-CD1 3.44Å; G181-F190 PolarHBondContact O-N 2.8Å; E188-F190 HydrophobicContact CG-CD1 4.44Å; F190-A192 HydrophobicContact CD2-CB 4.06Å; F190-A192 HydrophobicContact CE2-CB 3.87Å
191P98.6Very high96.4Very high8 Ų838.3 Ų38.35%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-60.2134.4169.5-22.233.9000111.4F33 K36 R38 V39 V177 G179F33-P191 HydrophobicContact CD1-CG 4.4Å; F33-P191 HydrophobicContact CE1-CG 3.93Å; F33-P191 HydrophobicContact CZ-CG 4.15Å; K36-P191 HydrophobicContact CB-CG 4.06Å; R38-P191 WeakPolarHBondContact CA-O 3.19Å; V39-P191 PolarHBondContact N-O 3.02Å; V177-P191 HydrophobicContact CG1-CB 4.13Å; V177-P191 HydrophobicContact CG2-CB 4.46Å; V177-P191 HydrophobicContact CG2-CG 4.34Å; G179-P191 WeakPolarHBondContact O-CA 3.48Å
192A97.8Very high96.3Very high2 Ų240.3 Ų40.32%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-143.5160.6-172.700000113V39 V41 G179 F190 F194V39-A192 CarbonylContact O-C 3.53Å; V39-A192 WeakPolarHBondContact O-CA 3.39Å; V41-A192 HydrophobicContact CG2-CB 3.88Å; G179-A192 CarbonylContact C-O 3.54Å; G179-A192 PolarHBondContact O-N 2.94Å; F190-A192 HydrophobicContact CD2-CB 4.06Å; F190-A192 HydrophobicContact CE2-CB 3.87Å; A192-F194 HydrophobicContact CB-CE1 4.22Å; A192-F194 HydrophobicContact CB-CE2 3.63Å; A192-F194 HydrophobicContact CB-CZ 3.43Å; A192-F194 VanDerWaalsContact CB-CZ 3.43Å
193S95.9Very high96.3Very high27 Ų2740.6 Ų40.619%0.18922%0.224CC..EExtended strand (participates in β ladder)trans-127.8151.5166.893.80000110.4V39 D40 V41 D70V39-S193 PolarHBondContact O-N 2.87Å; D40-S193 PolarHBondContact OD1-OG 2.9Å; V41-S193 PolarHBondContact N-O 2.89Å; D70-S193 WeakPolarHBondContact OD2-CA 3.3Å
194F95.5Very high96.3Very high9 Ų938.5 Ų38.54%0.03921%0.212CC..  trans-132.5103.4-170.9-55.1-87.6000111.8V41 L46 Y48 G68 S69 D70 I180 A192 H196 K197V41-F194 HydrophobicContact CB-CD1 3.93Å; V41-F194 HydrophobicContact CB-CE1 3.79Å; V41-F194 HydrophobicContact CG1-CD1 4.39Å; V41-F194 HydrophobicContact CG1-CE1 4.13Å; V41-F194 HydrophobicContact CG2-CD1 4.26Å; V41-F194 HydrophobicContact CG2-CE1 3.68Å; V41-F194 HydrophobicContact CG2-CZ 4.25Å; L46-F194 HydrophobicContact CD1-CD1 3.64Å; L46-F194 HydrophobicContact CD1-CE1 3.53Å; L46-F194 HydrophobicContact CD2-CD1 3.6Å; L46-F194 HydrophobicContact CD2-CE1 4.36Å; L46-F194 HydrophobicContact CD2-CG 4.49Å; L46-F194 HydrophobicContact CG-CD1 4.26Å; Y48-F194 HydrophobicContact CD2-CB 3.74Å; Y48-F194 HydrophobicContact CD2-CD1 4.09Å; Y48-F194 HydrophobicContact CD2-CD2 4.22Å; Y48-F194 AromaticContact CD2-CG 3.74Å; Y48-F194 HydrophobicContact CD2-CG 3.74Å; Y48-F194 HydrophobicContact CE2-CB 3.68Å; Y48-F194 AromaticContact CE2-CD2 3.84Å; Y48-F194 HydrophobicContact CE2-CD2 3.84Å; Y48-F194 AromaticContact CE2-CG 3.75Å; Y48-F194 HydrophobicContact CE2-CG 3.75Å; G68-F194 VanDerWaalsContact CA-CZ 3.41Å; S69-F194 VanDerWaalsContact O-CE2 3.28Å; S69-F194 WeakPolarHBondContact O-CE2 3.09Å; D70-F194 HydrophobicContact CB-CD2 3.71Å; D70-F194 HydrophobicContact CB-CE2 4.32Å; D70-F194 PolarHBondContact OD2-N 2.97Å; I180-F194 VanDerWaalsContact O-CZ 3.29Å; I180-F194 WeakPolarHBondContact O-CZ 3.36Å; A192-F194 HydrophobicContact CB-CE1 4.22Å; A192-F194 HydrophobicContact CB-CE2 3.63Å; A192-F194 HydrophobicContact CB-CZ 3.43Å; A192-F194 VanDerWaalsContact CB-CZ 3.43Å; F194-H196 PolarHBondContact O-N 3.38Å; F194-K197 WeakPolarHBondContact O-CE 3.34Å
195P87.6Confident96.3Very high91 Ų9138.9 Ų38.959%0.59122%0.215SC*.SBendtrans-72.6-18.117827.1-32.5000113.2
196H89.5Confident96.4Very high115 Ų11532.7 Ų32.753%0.53219%0.188SC..  trans-127.4121.5-179.2-59.7-75000110.9P43 F194P43-H196 HydrophobicContact CB-CB 4.06Å; F194-H196 PolarHBondContact O-N 3.38Å
197K95.2Very high96.3Very high20 Ų2029.6 Ų29.69%0.08717%0.166CC..  trans-117.37.7-173.9-59.5179.3175.8173.30113.7Y48 D71 F194 E201 R204 H263Y48-K197 HydrophobicContact CD1-CB 3.62Å; Y48-K197 HydrophobicContact CD1-CG 3.93Å; Y48-K197 HydrophobicContact CD2-CG 4.07Å; Y48-K197 HydrophobicContact CE1-CB 3.72Å; Y48-K197 HydrophobicContact CE1-CD 3.88Å; Y48-K197 HydrophobicContact CE1-CG 3.69Å; Y48-K197 HydrophobicContact CE2-CD 4.21Å; Y48-K197 HydrophobicContact CE2-CG 3.83Å; Y48-K197 HydrophobicContact CG-CB 4.05Å; Y48-K197 HydrophobicContact CG-CG 4.11Å; Y48-K197 WeakPolarHBondContact OH-CE 3.33Å; D71-K197 VanDerWaalsContact CG-NZ 3.28Å; D71-K197 IonicContact OD1-NZ 3.86Å; D71-K197 PolarHBondContact OD1-NZ 3.48Å; D71-K197 IonicContact OD2-NZ 2.65Å; D71-K197 PolarHBondContact OD2-NZ 3.2Å; F194-K197 WeakPolarHBondContact O-CE 3.34Å; K197-E201 HydrophobicContact CB-CG 4.1Å; K197-R204 PolarHBondContact O-NH1 2.9Å; K197-R204 VanDerWaalsContact O-NH1 3.11Å; K197-H263 PolarHBondContact NZ-NE2 3.03Å
198G93.9Very high96.3Very high28 Ų2829.9 Ų29.929%0.28917%0.166SC..  trans-71.8178176.400000114.1
199P95.9Very high96.2Very high13 Ų1328.3 Ų28.38%0.08416%0.158CC..SBendcis-79.8170.62.234.2-34.2000112.4E201 R204 V225 Y293 W301P199-E201 PolarHBondContact O-N 3.09Å; P199-E201 VanDerWaalsContact O-N 3.12Å; P199-R204 WeakPolarHBondContact O-CD 3.41Å; P199-R204 PolarHBondContact O-NH1 3.39Å; P199-V225 HydrophobicContact CG-CB 4.31Å; P199-V225 HydrophobicContact CG-CG1 3.95Å; P199-Y293 HydrophobicContact CB-CD1 3.53Å; P199-Y293 HydrophobicContact CB-CD2 4.2Å; P199-Y293 HydrophobicContact CB-CE1 3.7Å; P199-Y293 HydrophobicContact CB-CE2 4.35Å; P199-Y293 HydrophobicContact CB-CG 3.84Å; P199-Y293 HydrophobicContact CG-CD1 3.9Å; P199-Y293 HydrophobicContact CG-CD2 3.84Å; P199-Y293 HydrophobicContact CG-CE1 4.38Å; P199-Y293 HydrophobicContact CG-CE2 4.33Å; P199-Y293 HydrophobicContact CG-CG 3.64Å; P199-W301 HydrophobicContact CB-CB 3.9Å; P199-W301 HydrophobicContact CG-CB 3.81Å; P199-W301 HydrophobicContact CG-CG 4.04Å
200A96.7Very high96Very high26 Ų2630.6 Ų30.622%0.21517%0.172CC..SBendtrans50.538.7173.600000114.2M202 L203 R204 V227 Y293A200-M202 PolarHBondContact O-N 3.12Å; A200-L203 HydrophobicContact CB-CB 4.24Å; A200-L203 HydrophobicContact CB-CD2 4.44Å; A200-L203 PolarHBondContact O-N 3.2Å; A200-L203 VanDerWaalsContact O-N 3.12Å; A200-R204 WeakPolarHBondContact O-CG 3.31Å; A200-R204 PolarHBondContact O-N 3.44Å; A200-V227 HydrophobicContact CB-CG2 4.16Å; A200-Y293 HydrophobicContact CB-CE2 4.19Å
201E97.4Very high95.8Very high57 Ų5732 Ų3227%0.26619%0.191SC..Hα-helixtrans-54.2-50.9-170.1-170.2-175.6149.300112Q50 K197 P199 L203 R204 S205 H267Q50-E201 VanDerWaalsContact NE2-CG 3.34Å; Q50-E201 PolarHBondContact NE2-O 2.93Å; Q50-E201 VanDerWaalsContact NE2-O 3.1Å; K197-E201 HydrophobicContact CB-CG 4.1Å; P199-E201 PolarHBondContact O-N 3.09Å; P199-E201 VanDerWaalsContact O-N 3.12Å; E201-L203 PolarHBondContact O-N 3.27Å; E201-R204 PolarHBondContact O-N 2.75Å; E201-S205 WeakPolarHBondContact O-CB 3.43Å; E201-S205 PolarHBondContact O-N 3.29Å; E201-S205 PolarHBondContact O-OG 2.89Å; E201-S205 VanDerWaalsContact O-OG 3.05Å; E201-H267 IonicContact OE1-CE1 2.69Å; E201-H267 PolarHBondContact OE1-CE1 2.62Å; E201-H267 VanDerWaalsContact OE1-CE1 3.29Å; E201-H267 IonicContact OE1-ND1 2.89Å; E201-H267 PolarHBondContact OE1-ND1 3.39Å
202M97.6Very high95.7Very high42 Ų4232.5 Ų32.521%0.20720%0.198CC..Hα-helixtrans-68.2-31.5-178.3-63.3-60.99600113.5A200 A206 H267 S270 F274A200-M202 PolarHBondContact O-N 3.12Å; M202-A206 WeakPolarHBondContact O-CB 3.5Å; M202-A206 PolarHBondContact O-N 3.37Å; M202-H267 VanDerWaalsContact CE-CE1 3.44Å; M202-H267 WeakPolarHBondContact CE-CE1 3.46Å; M202-S270 VanDerWaalsContact SD-CB 3.53Å; M202-F274 HydrophobicContact CB-CB 3.9Å; M202-F274 HydrophobicContact CB-CD1 4.46Å; M202-F274 HydrophobicContact CB-CD2 3.57Å; M202-F274 HydrophobicContact CB-CE2 4.23Å; M202-F274 HydrophobicContact CB-CG 3.71Å
203L97.8Very high95.6Very high7 Ų739.5 Ų39.54%0.03723%0.231CC..Hα-helixtrans-67-42.8175.4172.153.4000110.9A200 E201 R207 V227 W232 F274 L284 F285A200-L203 HydrophobicContact CB-CB 4.24Å; A200-L203 HydrophobicContact CB-CD2 4.44Å; A200-L203 PolarHBondContact O-N 3.2Å; A200-L203 VanDerWaalsContact O-N 3.12Å; E201-L203 PolarHBondContact O-N 3.27Å; L203-R207 PolarHBondContact O-N 2.75Å; L203-R207 VanDerWaalsContact O-N 3.11Å; L203-V227 HydrophobicContact CD2-CG1 3.83Å; L203-V227 HydrophobicContact CG-CG1 4.02Å; L203-W232 HydrophobicContact CD1-CH2 3.62Å; L203-W232 HydrophobicContact CD1-CZ3 4.12Å; L203-F274 HydrophobicContact CB-CE1 4.13Å; L203-F274 HydrophobicContact CB-CZ 3.83Å; L203-F274 HydrophobicContact CD1-CE1 4.09Å; L203-F274 HydrophobicContact CD1-CZ 4.23Å; L203-L284 HydrophobicContact CD1-CD1 3.72Å; L203-F285 HydrophobicContact CD1-CE2 4.24Å; L203-F285 HydrophobicContact CD1-CZ 4.02Å; L203-F285 HydrophobicContact CD2-CE1 4.33Å; L203-F285 HydrophobicContact CD2-CZ 3.87Å; L203-F285 HydrophobicContact CG-CZ 4.34Å
204R98.3Very high95.7Very high1 Ų139.1 Ų39.10%0.00423%0.226CC..Hα-helixtrans-67.9-43.6176.6-69.5160.761-159.72.3111.3Y48 Q50 E53 K197 P199 A200 E201 A206 R207 T208 V227Y48-R204 PolarHBondContact O-NH2 3.42Å; Q50-R204 VanDerWaalsContact OE1-C 3.29Å; Q50-R204 VanDerWaalsContact OE1-CB 3.26Å; E53-R204 WeakPolarHBondContact OE1-CB 3.42Å; E53-R204 WeakPolarHBondContact OE1-CG 3.37Å; E53-R204 IonicContact OE1-CZ 3.85Å; E53-R204 IonicContact OE1-NE 2.81Å; E53-R204 PolarHBondContact OE1-NE 2.99Å; E53-R204 IonicContact OE1-NH2 3.43Å; E53-R204 IonicContact OE2-CZ 3.65Å; E53-R204 IonicContact OE2-NE 3.83Å; E53-R204 PolarHBondContact OE2-NE 3.2Å; E53-R204 IonicContact OE2-NH2 2.73Å; E53-R204 PolarHBondContact OE2-NH2 2.84Å; K197-R204 PolarHBondContact O-NH1 2.9Å; K197-R204 VanDerWaalsContact O-NH1 3.11Å; P199-R204 WeakPolarHBondContact O-CD 3.41Å; P199-R204 PolarHBondContact O-NH1 3.39Å; A200-R204 WeakPolarHBondContact O-CG 3.31Å; A200-R204 PolarHBondContact O-N 3.44Å; E201-R204 PolarHBondContact O-N 2.75Å; R204-A206 PolarHBondContact O-N 3.29Å; R204-R207 WeakPolarHBondContact O-CB 3.15Å; R204-R207 PolarHBondContact O-N 2.87Å; R204-T208 PolarHBondContact O-N 3.11Å; R204-V227 HydrophobicContact CG-CG1 4.13Å; R204-V227 HydrophobicContact CG-CG2 4.06Å
205S98.1Very high95.8Very high9 Ų941.3 Ų41.36%0.06324%0.24CC..Hα-helixtrans-61.4-43.9174.2-62.20000111.7Q50 E201 R207 T208 F209 H267 T271Q50-S205 VanDerWaalsContact OE1-N 3.07Å; Q50-S205 PolarHBondContact OE1-OG 2.85Å; E201-S205 WeakPolarHBondContact O-CB 3.43Å; E201-S205 PolarHBondContact O-N 3.29Å; E201-S205 PolarHBondContact O-OG 2.89Å; E201-S205 VanDerWaalsContact O-OG 3.05Å; S205-R207 PolarHBondContact O-N 3.1Å; S205-T208 PolarHBondContact O-N 3.18Å; S205-F209 VanDerWaalsContact O-CB 3.27Å; S205-F209 WeakPolarHBondContact O-CB 3.24Å; S205-F209 PolarHBondContact O-N 3.05Å; S205-H267 PolarHBondContact OG-CE1 2.9Å; S205-H267 PolarHBondContact OG-NE2 2.87Å; S205-T271 WeakPolarHBondContact CB-OG1 3.47Å
206A97.5Very high96.3Very high0 Ų040.5 Ų40.50%023%0.231CC..Hα-helixtrans-58.7-46.2177.700000111.6M202 R204 T208 F209 T210 W232 T271 F274 L275M202-A206 WeakPolarHBondContact O-CB 3.5Å; M202-A206 PolarHBondContact O-N 3.37Å; R204-A206 PolarHBondContact O-N 3.29Å; A206-T208 VanDerWaalsContact C-N 3.34Å; A206-T208 PolarHBondContact O-N 3.11Å; A206-F209 PolarHBondContact O-N 3.33Å; A206-T210 WeakPolarHBondContact O-CG2 3.12Å; A206-T210 PolarHBondContact O-N 3.05Å; A206-T210 PolarHBondContact O-OG1 3.48Å; A206-T210 VanDerWaalsContact O-OG1 3.07Å; A206-W232 HydrophobicContact CB-CH2 4.23Å; A206-W232 HydrophobicContact CB-CZ3 4.18Å; A206-T271 HydrophobicContact CB-CG2 4.32Å; A206-F274 HydrophobicContact CB-CD1 3.76Å; A206-F274 HydrophobicContact CB-CE1 4.18Å; A206-L275 HydrophobicContact CB-CD2 3.7Å; A206-L275 HydrophobicContact CB-CG 3.93Å
207R97.1Very high96.7Very high24 Ų2435.1 Ų35.19%0.09121%0.206CC..Hα-helixtrans-56.4-46.2175.7179.4-164.976.387.76112R52 L203 R204 S205 T210 G212 E213 C230R52-R207 PolarHBondContact O-NH2 3.47Å; L203-R207 PolarHBondContact O-N 2.75Å; L203-R207 VanDerWaalsContact O-N 3.11Å; R204-R207 WeakPolarHBondContact O-CB 3.15Å; R204-R207 PolarHBondContact O-N 2.87Å; S205-R207 PolarHBondContact O-N 3.1Å; R207-T210 PolarHBondContact O-OG1 2.81Å; R207-G212 WeakPolarHBondContact O-CA 3.4Å; R207-G212 PolarHBondContact O-N 3.03Å; R207-E213 PolarHBondContact NH1-O 3.1Å; R207-C230 HydrophobicContact CB-CB 4.17Å; R207-C230 HydrophobicContact CG-CB 3.67Å
208T96.8Very high96.8Very high17 Ų1734.5 Ų34.510%0.10420%0.203CC..Hα-helixtrans-68.2-44.1178.5-64.70000111.1Q51 R52 R204 S205 A206 T210 G211Q51-T208 HydrophobicContact CB-CG2 4.45Å; Q51-T208 HydrophobicContact CG-CG2 4.4Å; Q51-T208 PolarHBondContact O-OG1 2.87Å; R52-T208 HydrophobicContact CB-CG2 4.28Å; R52-T208 HydrophobicContact CG-CG2 4.12Å; R204-T208 PolarHBondContact O-N 3.11Å; S205-T208 PolarHBondContact O-N 3.18Å; A206-T208 VanDerWaalsContact C-N 3.34Å; A206-T208 PolarHBondContact O-N 3.11Å; T208-T210 VanDerWaalsContact C-N 3.29Å; T208-T210 PolarHBondContact O-N 3.45Å; T208-G211 PolarHBondContact O-N 3.23Å
209F96.1Very high97Very high72 Ų7235.6 Ų35.632%0.31620%0.203SC..Hα-helixtrans-59.2-38.5179.3-171.4-82.7000112.3S205 A206 G211 I238 I268 T271 I272 L275S205-F209 VanDerWaalsContact O-CB 3.27Å; S205-F209 WeakPolarHBondContact O-CB 3.24Å; S205-F209 PolarHBondContact O-N 3.05Å; A206-F209 PolarHBondContact O-N 3.33Å; F209-G211 PolarHBondContact O-N 3.18Å; F209-I238 HydrophobicContact CD1-CD1 4.11Å; F209-I238 HydrophobicContact CE1-CD1 3.44Å; F209-I238 VanDerWaalsContact CE1-CD1 3.44Å; F209-I238 HydrophobicContact CE1-CG1 4.24Å; F209-I238 HydrophobicContact CZ-CD1 4.19Å; F209-I268 HydrophobicContact CD2-CD1 4.23Å; F209-I268 HydrophobicContact CE2-CD1 4.15Å; F209-I268 HydrophobicContact CE2-CG2 4.3Å; F209-T271 HydrophobicContact CB-CG2 3.92Å; F209-T271 HydrophobicContact CD2-CG2 4.43Å; F209-T271 HydrophobicContact CG-CG2 4.19Å; F209-I272 HydrophobicContact CZ-CD1 4.31Å; F209-I272 HydrophobicContact CZ-CG1 4.24Å; F209-L275 HydrophobicContact CD1-CD1 3.76Å; F209-L275 HydrophobicContact CE1-CD1 4.37Å; F209-L275 HydrophobicContact CG-CD1 4.45Å
210T95.2Very high97Very high56 Ų5636.2 Ų36.234%0.34421%0.207SC..THydrogen-bonded Turntrans-84.312.6177.862.50000113.7A206 R207 T208 W232 L275A206-T210 WeakPolarHBondContact O-CG2 3.12Å; A206-T210 PolarHBondContact O-N 3.05Å; A206-T210 PolarHBondContact O-OG1 3.48Å; A206-T210 VanDerWaalsContact O-OG1 3.07Å; R207-T210 PolarHBondContact O-OG1 2.81Å; T208-T210 VanDerWaalsContact C-N 3.29Å; T208-T210 PolarHBondContact O-N 3.45Å; T210-W232 HydrophobicContact CG2-CB 3.72Å; T210-W232 HydrophobicContact CG2-CG 4.16Å; T210-L275 HydrophobicContact CG2-CD1 3.87Å; T210-L275 HydrophobicContact CG2-CD2 3.62Å; T210-L275 HydrophobicContact CG2-CG 4.42Å
211G94.4Very high96.9Very high47 Ų4745.2 Ų45.249%0.48524%0.235SC..THydrogen-bonded Turntrans92.515.7172.200000115.8R52 T208 F209R52-G211 VanDerWaalsContact NH1-C 3.33Å; R52-G211 PolarHBondContact NH1-O 2.87Å; T208-G211 PolarHBondContact O-N 3.23Å; F209-G211 PolarHBondContact O-N 3.18Å
212G95.4Very high96.8Very high20 Ų2048.6 Ų48.621%0.20625%0.251CS..PPolyproline II helixtrans-58144.5176.600000113.3R52 R207R52-G212 WeakPolarHBondContact CD-O 3.11Å; R52-G212 PolarHBondContact NH1-O 3.31Å; R207-G212 WeakPolarHBondContact O-CA 3.4Å; R207-G212 PolarHBondContact O-N 3.03Å
213E96.1Very high96.7Very high149 Ų14946.9 Ų46.970%0.69624%0.244SC*.PPolyproline II helixtrans-75170.1177-62.5-170.2145.800112.4R207 T215R207-E213 PolarHBondContact NH1-O 3.1Å; E213-T215 PolarHBondContact O-N 3.27Å
214M97.3Very high96.7Very high19 Ų1947.9 Ų47.99%0.09425%0.249CC..PPolyproline II helixtrans-56.5137173.9-179.571.976.400112.4R52 E53 F54 L93 E101 L104R52-M214 WeakPolarHBondContact O-CA 3.44Å; E53-M214 VanDerWaalsContact CA-SD 3.51Å; E53-M214 PolarHBondContact N-SD 3.21Å; E53-M214 VanDerWaalsContact O-SD 3.34Å; F54-M214 HydrophobicContact CB-SD 4.35Å; F54-M214 HydrophobicContact CD1-CG 3.74Å; F54-M214 HydrophobicContact CD1-SD 4.04Å; F54-M214 HydrophobicContact CE1-CG 4.26Å; L93-M214 HydrophobicContact CD1-CE 3.77Å; L93-M214 HydrophobicContact CG-CE 3.89Å; E101-M214 HydrophobicContact CB-CE 4.21Å; E101-M214 HydrophobicContact CG-CB 3.68Å; E101-M214 HydrophobicContact CG-CE 3.8Å; E101-M214 HydrophobicContact CG-CG 4.01Å; L104-M214 HydrophobicContact CD1-CB 4.34Å; L104-M214 HydrophobicContact CD1-CG 4.19Å
215T97.6Very high96.7Very high55 Ų5547.8 Ų47.834%0.33725%0.249SC..EExtended strand (participates in β ladder)trans-137.9149.4-179.8-157.80000113.6R52 E53 F54 E213 I217R52-T215 PolarHBondContact O-N 3.24Å; E53-T215 WeakPolarHBondContact CA-O 3.38Å; E53-T215 HydrophobicContact CG-CG2 4.32Å; F54-T215 VanDerWaalsContact CD1-O 3.32Å; F54-T215 WeakPolarHBondContact CD1-O 3.48Å; F54-T215 VanDerWaalsContact CE1-C 3.49Å; F54-T215 PolarHBondContact N-O 3.49Å; E213-T215 PolarHBondContact O-N 3.27Å; T215-I217 HydrophobicContact CG2-CG2 3.96Å
216D98.3Very high96.7Very high73 Ų7353.6 Ų53.639%0.3927%0.269SS..EExtended strand (participates in β ladder)trans-79.8125.1170.8-170-8.2000109F54 Y218F54-D216 HydrophobicContact CD2-CB 4.47Å; F54-D216 HydrophobicContact CE1-CB 3.84Å; F54-D216 VanDerWaalsContact CE1-N 3.3Å; F54-D216 HydrophobicContact CE2-CB 3.74Å; F54-D216 HydrophobicContact CZ-CB 3.41Å; F54-D216 VanDerWaalsContact CZ-CB 3.41Å; F54-D216 WeakPolarHBondContact O-CA 3.28Å; D216-Y218 PolarHBondContact OD1-N 3.29Å
217I98.3Very high96.7Very high2 Ų254 Ų541%0.0127%0.271CS..  trans-105.10.7-177.864156.6000114L47 V49 E53 F54 A55 T215 V225 R226L47-I217 HydrophobicContact CD1-CD1 4.1Å; V49-I217 HydrophobicContact CG2-CD1 4.44Å; E53-I217 HydrophobicContact CB-CG2 3.97Å; E53-I217 HydrophobicContact CG-CG2 3.82Å; F54-I217 PolarHBondContact O-N 3.36Å; F54-I217 VanDerWaalsContact O-N 3.11Å; A55-I217 HydrophobicContact CB-CG1 4.05Å; T215-I217 HydrophobicContact CG2-CG2 3.96Å; I217-V225 CarbonylContact O-C 3.4Å; I217-V225 WeakPolarHBondContact O-CA 3.27Å; I217-R226 PolarHBondContact O-N 2.73Å
218Y98.4Very high96.5Very high7 Ų754 Ų543%0.02728%0.279CS..EExtended strand (participates in β ladder)trans-140.1120.5-168.7-169.9-116.3000114.8L47 D61 V64 D216 S220 G223 L224 V225 W301L47-Y218 HydrophobicContact CD2-CD1 3.8Å; L47-Y218 HydrophobicContact CD2-CD2 3.63Å; L47-Y218 HydrophobicContact CD2-CE1 4.35Å; L47-Y218 HydrophobicContact CD2-CE2 4.22Å; L47-Y218 HydrophobicContact CD2-CG 3.39Å; D61-Y218 VanDerWaalsContact CG-OH 3.28Å; D61-Y218 PolarHBondContact OD1-OH 3.41Å; D61-Y218 WeakPolarHBondContact OD2-CE1 3.45Å; D61-Y218 VanDerWaalsContact OD2-CZ 3.23Å; D61-Y218 PolarHBondContact OD2-OH 3.07Å; V64-Y218 HydrophobicContact CG2-CE1 4.14Å; V64-Y218 HydrophobicContact CG2-CE2 3.92Å; V64-Y218 VanDerWaalsContact CG2-OH 3.27Å; V64-Y218 WeakPolarHBondContact CG2-OH 3.2Å; D216-Y218 PolarHBondContact OD1-N 3.29Å; Y218-S220 VanDerWaalsContact CE1-CA 3.49Å; Y218-S220 PolarHBondContact O-N 2.87Å; Y218-G223 WeakPolarHBondContact OH-CA 3.46Å; Y218-L224 VanDerWaalsContact CD2-O 3.23Å; Y218-L224 WeakPolarHBondContact CD2-O 3.37Å; Y218-V225 HydrophobicContact CD2-CG2 4.06Å; Y218-V225 HydrophobicContact CE2-CG2 4.5Å; Y218-W301 AromaticContact CE2-CH2 3.91Å; Y218-W301 HydrophobicContact CE2-CH2 3.91Å
219D97.3Very high96.4Very high52 Ų5256.5 Ų56.528%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-90.491.1169.7-173.5-13.6000109.6R221 H222 G223 L224D219-R221 PolarHBondContact O-N 3.31Å; D219-R221 WeakPolarHBondContact OD1-CB 3.22Å; D219-R221 PolarHBondContact OD1-N 3.26Å; D219-R221 VanDerWaalsContact OD1-N 3.1Å; D219-H222 VanDerWaalsContact CG-ND1 3.29Å; D219-H222 PolarHBondContact O-N 3.33Å; D219-H222 PolarHBondContact OD1-N 3.4Å; D219-H222 IonicContact OD1-ND1 3.35Å; D219-H222 PolarHBondContact OD1-ND1 2.85Å; D219-H222 IonicContact OD2-CE1 3.63Å; D219-H222 IonicContact OD2-CG 3.74Å; D219-H222 IonicContact OD2-ND1 2.73Å; D219-H222 PolarHBondContact OD2-ND1 2.93Å; D219-G223 PolarHBondContact O-N 2.79Å; D219-L224 HydrophobicContact CB-CB 4.42Å; D219-L224 PolarHBondContact N-O 2.99Å; D219-L224 PolarHBondContact O-N 3.38Å; D219-L224 VanDerWaalsContact O-N 3.09Å
220S95.7Very high96.3Very high26 Ų2653.9 Ų53.918%0.18229%0.286CS..THydrogen-bonded Turntrans-65.7-17.3179.452.30000114.2A56 T57 Y218A56-S220 PolarHBondContact O-OG 3.02Å; T57-S220 WeakPolarHBondContact OG1-CB 3.19Å; Y218-S220 VanDerWaalsContact CE1-CA 3.49Å; Y218-S220 PolarHBondContact O-N 2.87Å
221R94.4Very high96.1Very high214 Ų21459.2 Ų59.281%0.80831%0.307SS*.THydrogen-bonded Turntrans-73-34.7176.2-63.1179.9178.4178.4-1111.6D219D219-R221 PolarHBondContact O-N 3.31Å; D219-R221 WeakPolarHBondContact OD1-CB 3.22Å; D219-R221 PolarHBondContact OD1-N 3.26Å; D219-R221 VanDerWaalsContact OD1-N 3.1Å
222H95.1Very high96Very high129 Ų12958.1 Ų58.160%0.59729%0.288SS*.THydrogen-bonded Turntrans-108-5.5-177.8-56.1107.9000113.2D219 L224D219-H222 VanDerWaalsContact CG-ND1 3.29Å; D219-H222 PolarHBondContact O-N 3.33Å; D219-H222 PolarHBondContact OD1-N 3.4Å; D219-H222 IonicContact OD1-ND1 3.35Å; D219-H222 PolarHBondContact OD1-ND1 2.85Å; D219-H222 IonicContact OD2-CE1 3.63Å; D219-H222 IonicContact OD2-CG 3.74Å; D219-H222 IonicContact OD2-ND1 2.73Å; D219-H222 PolarHBondContact OD2-ND1 2.93Å; H222-L224 HydrophobicContact CB-CD1 3.83Å; H222-L224 HydrophobicContact CB-CG 3.85Å
223G95.9Very high95.6Very high5 Ų562 Ų625%0.05231%0.312CS..THydrogen-bonded Turntrans69.133.1-177.300000113.1Y218 D219Y218-G223 WeakPolarHBondContact OH-CA 3.46Å; D219-G223 PolarHBondContact O-N 2.79Å
224L97.4Very high95.2Very high28 Ų2858.8 Ų58.815%0.14731%0.305CS..EExtended strand (participates in β ladder)trans-113.9129.9-172-60.5177.6000112.2Y218 D219 H222 L292 Y293 H294 L304Y218-L224 VanDerWaalsContact CD2-O 3.23Å; Y218-L224 WeakPolarHBondContact CD2-O 3.37Å; D219-L224 HydrophobicContact CB-CB 4.42Å; D219-L224 PolarHBondContact N-O 2.99Å; D219-L224 PolarHBondContact O-N 3.38Å; D219-L224 VanDerWaalsContact O-N 3.09Å; H222-L224 HydrophobicContact CB-CD1 3.83Å; H222-L224 HydrophobicContact CB-CG 3.85Å; L224-L292 HydrophobicContact CD1-CD1 4.44Å; L224-Y293 CarbonylContact C-O 3.51Å; L224-Y293 VanDerWaalsContact CA-O 3.31Å; L224-Y293 WeakPolarHBondContact CA-O 3.33Å; L224-H294 HydrophobicContact CD2-CB 3.68Å; L224-L304 HydrophobicContact CD1-CD1 4.32Å; L224-L304 HydrophobicContact CD2-CD1 3.88Å
225V98.1Very high94.6Very high0 Ų061.9 Ų61.90%032%0.322CS..EExtended strand (participates in β ladder)trans-76.1127.5161.8175.90000108.3L47 P199 I217 Y218 V227 L292 Y293 W301L47-V225 HydrophobicContact CD1-CG2 3.52Å; P199-V225 HydrophobicContact CG-CB 4.31Å; P199-V225 HydrophobicContact CG-CG1 3.95Å; I217-V225 CarbonylContact O-C 3.4Å; I217-V225 WeakPolarHBondContact O-CA 3.27Å; Y218-V225 HydrophobicContact CD2-CG2 4.06Å; Y218-V225 HydrophobicContact CE2-CG2 4.5Å; V225-V227 HydrophobicContact CG1-CG2 4.38Å; V225-L292 CarbonylContact O-C 3.6Å; V225-L292 WeakPolarHBondContact O-CA 3.3Å; V225-Y293 HydrophobicContact CG1-CD2 4.49Å; V225-Y293 PolarHBondContact N-O 2.92Å; V225-Y293 PolarHBondContact O-N 3.33Å; V225-W301 HydrophobicContact CG2-CD2 3.89Å; V225-W301 HydrophobicContact CG2-CE3 3.88Å; V225-W301 HydrophobicContact CG2-CH2 3.73Å; V225-W301 HydrophobicContact CG2-CZ2 3.68Å; V225-W301 HydrophobicContact CG2-CZ3 3.82Å
226R97.8Very high93.8Very high131 Ų13166 Ų6649%0.49434%0.341SS..EExtended strand (participates in β ladder)trans-117.4107.7-178.9178.7178.2162.9180-5109.7I217 P290 H291 L292I217-R226 PolarHBondContact O-N 2.73Å; R226-P290 HydrophobicContact CG-CB 3.86Å; R226-P290 HydrophobicContact CG-CG 4.33Å; R226-H291 WeakPolarHBondContact CA-O 3.44Å; R226-L292 HydrophobicContact CB-CD2 3.98Å; R226-L292 HydrophobicContact CG-CD2 3.85Å
227V97.4Very high93.3Very high7 Ų770.4 Ų70.44%0.04236%0.359CS..EExtended strand (participates in β ladder)trans-94.7102.1169.3-176.60000107.7A200 L203 R204 V225 F285 P290 H291 Y293A200-V227 HydrophobicContact CB-CG2 4.16Å; L203-V227 HydrophobicContact CD2-CG1 3.83Å; L203-V227 HydrophobicContact CG-CG1 4.02Å; R204-V227 HydrophobicContact CG-CG1 4.13Å; R204-V227 HydrophobicContact CG-CG2 4.06Å; V225-V227 HydrophobicContact CG1-CG2 4.38Å; V227-F285 WeakPolarHBondContact O-CE1 3.12Å; V227-P290 CarbonylContact O-C 3.49Å; V227-P290 WeakPolarHBondContact O-CA 3.38Å; V227-P290 WeakPolarHBondContact O-CB 3.48Å; V227-H291 HydrophobicContact CB-CB 4.3Å; V227-H291 PolarHBondContact N-O 3.01Å; V227-H291 PolarHBondContact O-N 3.36Å; V227-Y293 HydrophobicContact CG2-CE2 4.19Å
228G94.8Very high93Very high25 Ų2570.8 Ų70.826%0.25836%0.361SS..  trans-71.5160.7-177.200000113.5C230 F285G228-C230 PolarHBondContact O-N 2.8Å; G228-F285 VanDerWaalsContact O-CE1 3.28Å; G228-F285 WeakPolarHBondContact O-CE1 3.35Å; G228-F285 WeakPolarHBondContact O-CZ 3.49Å
229P93.7Very high92.8Very high70 Ų7072.4 Ų72.446%0.45538%0.376SS..  trans-54.7133.2170.2-20.730.8000111F285 G288P229-F285 HydrophobicContact CB-CB 4.14Å; P229-F285 HydrophobicContact CB-CD1 4.26Å; P229-F285 HydrophobicContact CB-CD2 4.16Å; P229-F285 HydrophobicContact CB-CG 3.92Å; P229-F285 HydrophobicContact CG-CB 4.22Å; P229-F285 HydrophobicContact CG-CD1 4.19Å; P229-F285 HydrophobicContact CG-CG 4.19Å; P229-G288 WeakPolarHBondContact CG-O 3.43Å
230C93.3Very high92.7Very high16 Ų1675.6 Ų75.611%0.10839%0.387CS..  trans-123.5168.2171.550.70000109.1R207 G228 W232 S281 F285R207-C230 HydrophobicContact CB-CB 4.17Å; R207-C230 HydrophobicContact CG-CB 3.67Å; G228-C230 PolarHBondContact O-N 2.8Å; C230-W232 HydrophobicContact CB-CZ3 4.43Å; C230-W232 WeakPolarHBondContact SG-CZ3 3.14Å; C230-S281 VanDerWaalsContact O-CB 3.24Å; C230-S281 WeakPolarHBondContact O-CB 3.31Å; C230-S281 PolarHBondContact O-OG 3.26Å; C230-F285 VanDerWaalsContact SG-CE2 3.54Å
231Q91.3Very high92.8Very high168 Ų16877 Ų7779%0.78539%0.388SS*.  trans-132.7136.2179.1-69.3-175.5-4.700109.9S281Q231-S281 WeakPolarHBondContact CA-OG 3.46Å
232W93.3Very high92.9Very high24 Ų2469.2 Ų69.29%0.09136%0.363CS..  trans-144.715316655.679.8000109L203 A206 T210 C230 F274 L275 H278 L284L203-W232 HydrophobicContact CD1-CH2 3.62Å; L203-W232 HydrophobicContact CD1-CZ3 4.12Å; A206-W232 HydrophobicContact CB-CH2 4.23Å; A206-W232 HydrophobicContact CB-CZ3 4.18Å; T210-W232 HydrophobicContact CG2-CB 3.72Å; T210-W232 HydrophobicContact CG2-CG 4.16Å; C230-W232 HydrophobicContact CB-CZ3 4.43Å; C230-W232 WeakPolarHBondContact SG-CZ3 3.14Å; W232-F274 HydrophobicContact CH2-CE1 4.18Å; W232-F274 HydrophobicContact CZ2-CE1 4.36Å; W232-L275 HydrophobicContact CD2-CD2 3.85Å; W232-L275 HydrophobicContact CE3-CD2 4.38Å; W232-L275 HydrophobicContact CG-CD2 4.02Å; W232-L275 HydrophobicContact CZ2-CD2 4.24Å; W232-H278 HydrophobicContact CZ2-CB 4.34Å; W232-H278 PolarHBondContact NE1-O 2.94Å; W232-L284 HydrophobicContact CH2-CD1 3.78Å; W232-L284 HydrophobicContact CZ2-CD1 3.81Å
233S87Confident92.9Very high101 Ų10167.5 Ų67.571%0.70637%0.365SS*.  trans-90.1150.9175.3-63.50000110.2D235 P279S233-D235 PolarHBondContact O-N 2.56Å; S233-P279 CarbonylContact C-O 3.59Å
234P86.8Confident93Very high83 Ų8369.1 Ų69.154%0.53937%0.372SS..  trans-56.9124.5170.1-21.630.5000110.4P279P234-P279 VanDerWaalsContact CA-O 3.28Å; P234-P279 WeakPolarHBondContact CA-O 3.48Å; P234-P279 HydrophobicContact CB-CB 4.06Å; P234-P279 WeakPolarHBondContact CD-O 3.32Å; P234-P279 HydrophobicContact CG-CB 4.15Å; P234-P279 VanDerWaalsContact CG-O 3.29Å; P234-P279 WeakPolarHBondContact CG-O 3.43Å; P234-P279 VanDerWaalsContact N-O 3.12Å
235D85.7Confident93.1Very high84 Ų8470.8 Ų70.845%0.44939%0.386SS..  trans-123.7107.1169.8-179.9-1.9000107S233 E237 I238S233-D235 PolarHBondContact O-N 2.56Å; D235-E237 WeakPolarHBondContact OD1-CA 3.39Å; D235-E237 WeakPolarHBondContact OD1-CB 3.32Å; D235-E237 PolarHBondContact OD1-N 2.6Å; D235-I238 HydrophobicContact CB-CB 4.47Å; D235-I238 WeakPolarHBondContact O-CG2 3.44Å; D235-I238 PolarHBondContact OD1-N 3.16Å
236L79.1Confident93.1Very high142 Ų14275 Ų7574%0.74341%0.408SS*.SBendtrans-82.5-19.5177.3-67175.7000111.7I238 A239L236-I238 PolarHBondContact O-N 3.03Å; L236-A239 WeakPolarHBondContact O-CB 3.03Å; L236-A239 PolarHBondContact O-N 2.81Å
237E89.2Confident93.1Very high164 Ų16472.2 Ų72.277%0.76641%0.413SS*.G310 helixtrans-70.2-25.2178.4-59.1-170.5171.200110.8D235 A239 F240D235-E237 WeakPolarHBondContact OD1-CA 3.39Å; D235-E237 WeakPolarHBondContact OD1-CB 3.32Å; D235-E237 PolarHBondContact OD1-N 2.6Å; E237-A239 PolarHBondContact O-N 2.91Å; E237-F240 WeakPolarHBondContact O-CB 3.36Å; E237-F240 PolarHBondContact O-N 3.41Å
238I92.1Very high93.1Very high11 Ų1173.8 Ų73.86%0.05642%0.422CS..G310 helixtrans-56.5-25.9174.2-155178.8000113F209 D235 L236 F240 W241 I272 L275 L276F209-I238 HydrophobicContact CD1-CD1 4.11Å; F209-I238 HydrophobicContact CE1-CD1 3.44Å; F209-I238 VanDerWaalsContact CE1-CD1 3.44Å; F209-I238 HydrophobicContact CE1-CG1 4.24Å; F209-I238 HydrophobicContact CZ-CD1 4.19Å; D235-I238 HydrophobicContact CB-CB 4.47Å; D235-I238 WeakPolarHBondContact O-CG2 3.44Å; D235-I238 PolarHBondContact OD1-N 3.16Å; L236-I238 PolarHBondContact O-N 3.03Å; I238-F240 PolarHBondContact O-N 3.02Å; I238-W241 WeakPolarHBondContact O-CB 3.46Å; I238-W241 PolarHBondContact O-N 3.37Å; I238-W241 VanDerWaalsContact O-N 3.14Å; I238-I272 HydrophobicContact CB-CG2 4.49Å; I238-I272 HydrophobicContact CD1-CB 4.44Å; I238-I272 HydrophobicContact CD1-CG1 3.89Å; I238-I272 HydrophobicContact CD1-CG2 4.22Å; I238-I272 HydrophobicContact CG1-CB 4.49Å; I238-I272 HydrophobicContact CG1-CD1 4.14Å; I238-I272 HydrophobicContact CG1-CG1 3.96Å; I238-I272 HydrophobicContact CG1-CG2 3.9Å; I238-I272 HydrophobicContact CG2-CG2 4.12Å; I238-L275 HydrophobicContact CD1-CD1 3.64Å; I238-L276 HydrophobicContact CG2-CD2 3.65Å; I238-L276 HydrophobicContact CG2-CG 4.06Å
239A93.9Very high93.2Very high40 Ų4072.6 Ų72.633%0.33141%0.41SS..G310 helixtrans-62.3-25.6175.900000112.7L236 E237 W241 L242 L276L236-A239 WeakPolarHBondContact O-CB 3.03Å; L236-A239 PolarHBondContact O-N 2.81Å; E237-A239 PolarHBondContact O-N 2.91Å; A239-W241 PolarHBondContact O-N 3.34Å; A239-L242 WeakPolarHBondContact O-CB 3.25Å; A239-L242 PolarHBondContact O-N 2.95Å; A239-L242 VanDerWaalsContact O-N 3.08Å; A239-L276 HydrophobicContact CB-CD1 3.84Å; A239-L276 HydrophobicContact CB-CD2 4.1Å
240F95.9Very high93.4Very high119 Ų11971.3 Ų71.352%0.52240%0.399SS..G310 helixtrans-53.6-37.8173.7171-99.4000112.1E237 I238 L242 S243 Q244E237-F240 WeakPolarHBondContact O-CB 3.36Å; E237-F240 PolarHBondContact O-N 3.41Å; I238-F240 PolarHBondContact O-N 3.02Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-L242 PolarHBondContact O-N 3.44Å; F240-S243 PolarHBondContact O-N 3.49Å; F240-S243 PolarHBondContact O-OG 3.32Å; F240-Q244 HydrophobicContact CD1-CG 4.11Å; F240-Q244 HydrophobicContact CE1-CG 3.77Å; F240-Q244 HydrophobicContact CZ-CG 4.17Å; F240-Q244 WeakPolarHBondContact O-CG 3.41Å; F240-Q244 PolarHBondContact O-NE2 3.1Å
241W96.6Very high93.6Very high55 Ų5577 Ų7721%0.20842%0.422CS..G310 helixtrans-66.2-27.5-178.9-67.9114.1000113.1I238 A239 S243 Q244 T248 I249 Y252 L253 I272I238-W241 WeakPolarHBondContact O-CB 3.46Å; I238-W241 PolarHBondContact O-N 3.37Å; I238-W241 VanDerWaalsContact O-N 3.14Å; A239-W241 PolarHBondContact O-N 3.34Å; W241-S243 VanDerWaalsContact C-N 3.27Å; W241-S243 PolarHBondContact O-N 2.78Å; W241-Q244 HydrophobicContact CE3-CB 4.45Å; W241-Q244 HydrophobicContact CE3-CG 3.91Å; W241-Q244 HydrophobicContact CZ3-CG 4.4Å; W241-Q244 PolarHBondContact O-N 2.96Å; W241-Q244 VanDerWaalsContact O-N 3.16Å; W241-T248 HydrophobicContact CZ3-CG2 4.23Å; W241-I249 HydrophobicContact CE3-CG1 4.39Å; W241-I249 WeakPolarHBondContact O-CD1 3.39Å; W241-Y252 VanDerWaalsContact CH2-CB 3.43Å; W241-Y252 HydrophobicContact CH2-CD2 4.27Å; W241-Y252 AromaticContact CH2-CG 3.94Å; W241-Y252 HydrophobicContact CH2-CG 3.94Å; W241-Y252 HydrophobicContact CZ3-CD2 4.31Å; W241-Y252 HydrophobicContact CZ3-CG 4.34Å; W241-L253 HydrophobicContact CB-CD1 4.39Å; W241-L253 HydrophobicContact CD2-CD1 3.78Å; W241-L253 HydrophobicContact CD2-CD2 4.29Å; W241-L253 HydrophobicContact CD2-CG 4.24Å; W241-L253 HydrophobicContact CE3-CD1 3.99Å; W241-L253 HydrophobicContact CE3-CG 4.22Å; W241-L253 HydrophobicContact CG-CD1 3.94Å; W241-L253 HydrophobicContact CH2-CD2 4.32Å; W241-L253 HydrophobicContact CZ2-CD2 3.94Å; W241-L253 HydrophobicContact CZ2-CG 4.5Å; W241-L253 HydrophobicContact CZ3-CG 4.35Å; W241-I272 HydrophobicContact CB-CD1 3.56Å; W241-I272 HydrophobicContact CG-CD1 4.2Å
242L96.6Very high93.8Very high52 Ų5275.8 Ų75.827%0.27241%0.412SS..G310 helixtrans-66.9-28.7178.9-65.1-178.7000112.8A239 F240 K269 I272 Q273 L276A239-L242 WeakPolarHBondContact O-CB 3.25Å; A239-L242 PolarHBondContact O-N 2.95Å; A239-L242 VanDerWaalsContact O-N 3.08Å; F240-L242 VanDerWaalsContact C-N 3.26Å; F240-L242 PolarHBondContact O-N 3.44Å; L242-K269 HydrophobicContact CD2-CB 4.03Å; L242-K269 HydrophobicContact CD2-CG 4.19Å; L242-K269 WeakPolarHBondContact CD2-O 3.21Å; L242-I272 HydrophobicContact CD1-CG2 4.12Å; L242-I272 HydrophobicContact CD2-CB 3.93Å; L242-I272 HydrophobicContact CD2-CG2 3.73Å; L242-I272 HydrophobicContact CG-CB 4.47Å; L242-I272 HydrophobicContact CG-CG2 3.71Å; L242-Q273 HydrophobicContact CD1-CG 3.94Å; L242-Q273 HydrophobicContact CD2-CG 3.97Å; L242-L276 HydrophobicContact CD1-CD1 3.53Å
243S95.8Very high94Very high92 Ų9276.9 Ų76.964%0.64342%0.419SS*.G310 helixtrans-87-5176.468.30000113.6F240 W241F240-S243 PolarHBondContact O-N 3.49Å; F240-S243 PolarHBondContact O-OG 3.32Å; W241-S243 VanDerWaalsContact C-N 3.27Å; W241-S243 PolarHBondContact O-N 2.78Å
244Q98.1Very high94.4Very high40 Ų4072.9 Ų72.919%0.18739%0.391CS..SBendtrans-79.7153.1-177.5-58.8-46.2-60.800112.3F240 W241 T248 I249 K269F240-Q244 HydrophobicContact CD1-CG 4.11Å; F240-Q244 HydrophobicContact CE1-CG 3.77Å; F240-Q244 HydrophobicContact CZ-CG 4.17Å; F240-Q244 WeakPolarHBondContact O-CG 3.41Å; F240-Q244 PolarHBondContact O-NE2 3.1Å; W241-Q244 HydrophobicContact CE3-CB 4.45Å; W241-Q244 HydrophobicContact CE3-CG 3.91Å; W241-Q244 HydrophobicContact CZ3-CG 4.4Å; W241-Q244 PolarHBondContact O-N 2.96Å; W241-Q244 VanDerWaalsContact O-N 3.16Å; Q244-T248 HydrophobicContact CB-CG2 4.03Å; Q244-T248 HydrophobicContact CG-CG2 4.16Å; Q244-I249 HydrophobicContact CB-CD1 4.38Å; Q244-I249 HydrophobicContact CB-CG1 4.03Å; Q244-K269 PolarHBondContact O-NZ 2.8Å
245S97.9Very high94.8Very high63 Ų6371.8 Ų71.844%0.44138%0.383SS..  trans-64.8154.917180.80000111.2A247 T248 I249S245-A247 PolarHBondContact O-N 3.13Å; S245-T248 WeakPolarHBondContact O-CB 3.03Å; S245-T248 PolarHBondContact O-N 2.76Å; S245-T248 VanDerWaalsContact O-N 3.08Å; S245-T248 PolarHBondContact OG-N 2.99Å; S245-T248 VanDerWaalsContact OG-N 3.16Å; S245-T248 PolarHBondContact OG-OG1 3.34Å; S245-I249 PolarHBondContact O-N 3.03Å
246D98.1Very high95.3Very high89 Ų8968.2 Ų68.248%0.47636%0.364SS..Hα-helixtrans-60.8-36.4179-66.71000111.8T248 I249 L250 V265 K269D246-T248 PolarHBondContact O-N 3.47Å; D246-I249 PolarHBondContact O-N 3.06Å; D246-L250 WeakPolarHBondContact O-CB 3.12Å; D246-L250 WeakPolarHBondContact O-CG 3.27Å; D246-L250 PolarHBondContact O-N 2.76Å; D246-V265 HydrophobicContact CB-CB 4.4Å; D246-V265 HydrophobicContact CB-CG1 4.02Å; D246-V265 HydrophobicContact CB-CG2 4.08Å; D246-V265 VanDerWaalsContact OD1-CG1 3.32Å; D246-V265 WeakPolarHBondContact OD1-CG1 3.48Å; D246-K269 IonicContact OD1-NZ 3.91Å; D246-K269 PolarHBondContact OD1-NZ 3.39Å
247A97.7Very high96.2Very high71 Ų7163.4 Ų63.459%0.58734%0.341SS*.Hα-helixtrans-64.1-39.317500000112.6S245 K251S245-A247 PolarHBondContact O-N 3.13Å; A247-K251 VanDerWaalsContact O-CB 3.3Å; A247-K251 WeakPolarHBondContact O-CB 3.25Å; A247-K251 PolarHBondContact O-N 3.23Å
248T97.7Very high96.5Very high40 Ų4062.8 Ų62.825%0.24534%0.337CS..Hα-helixtrans-65.6-44.3175.3-57.80000110.6W241 Q244 S245 D246 K251 Y252W241-T248 HydrophobicContact CZ3-CG2 4.23Å; Q244-T248 HydrophobicContact CB-CG2 4.03Å; Q244-T248 HydrophobicContact CG-CG2 4.16Å; S245-T248 WeakPolarHBondContact O-CB 3.03Å; S245-T248 PolarHBondContact O-N 2.76Å; S245-T248 VanDerWaalsContact O-N 3.08Å; S245-T248 PolarHBondContact OG-N 2.99Å; S245-T248 VanDerWaalsContact OG-N 3.16Å; S245-T248 PolarHBondContact OG-OG1 3.34Å; D246-T248 PolarHBondContact O-N 3.47Å; T248-K251 PolarHBondContact O-N 2.98Å; T248-Y252 HydrophobicContact CG2-CD2 3.85Å; T248-Y252 HydrophobicContact CG2-CE2 4.14Å; T248-Y252 VanDerWaalsContact O-CD2 3.28Å; T248-Y252 WeakPolarHBondContact O-CD2 3.5Å; T248-Y252 PolarHBondContact O-N 2.91Å; T248-Y252 VanDerWaalsContact O-N 3.13Å
249I97.8Very high96.7Very high1 Ų162.4 Ų62.41%0.00534%0.335CS..Hα-helixtrans-62.8-48.3178.7-70.9166.3000110.9W241 Q244 S245 D246 K251 Y252 L253 F264 V265 I268 K269W241-I249 HydrophobicContact CE3-CG1 4.39Å; W241-I249 WeakPolarHBondContact O-CD1 3.39Å; Q244-I249 HydrophobicContact CB-CD1 4.38Å; Q244-I249 HydrophobicContact CB-CG1 4.03Å; S245-I249 PolarHBondContact O-N 3.03Å; D246-I249 PolarHBondContact O-N 3.06Å; I249-K251 VanDerWaalsContact C-N 3.31Å; I249-K251 PolarHBondContact O-N 2.9Å; I249-Y252 PolarHBondContact O-N 2.95Å; I249-L253 HydrophobicContact CG2-CB 4.41Å; I249-L253 HydrophobicContact CG2-CD1 4.2Å; I249-L253 WeakPolarHBondContact O-CA 3.48Å; I249-L253 WeakPolarHBondContact O-CB 3.5Å; I249-L253 PolarHBondContact O-N 3.23Å; I249-F264 HydrophobicContact CG2-CE1 4.49Å; I249-V265 HydrophobicContact CB-CG1 4.19Å; I249-V265 HydrophobicContact CB-CG2 4.41Å; I249-V265 HydrophobicContact CD1-CG1 3.75Å; I249-V265 HydrophobicContact CG2-CB 4.43Å; I249-V265 HydrophobicContact CG2-CG1 4.01Å; I249-V265 HydrophobicContact CG2-CG2 4.1Å; I249-I268 HydrophobicContact CG2-CB 4.39Å; I249-I268 HydrophobicContact CG2-CG2 4.1Å; I249-K269 HydrophobicContact CD1-CD 4.25Å; I249-K269 HydrophobicContact CD1-CG 4.08Å
250L97.6Very high96.8Very high43 Ų4362 Ų6223%0.22533%0.326CS..Hα-helixtrans-55.4-49.2175.2-76.1164.8000110.7D246 Y252 S254 P257 E260 F264 V265D246-L250 WeakPolarHBondContact O-CB 3.12Å; D246-L250 WeakPolarHBondContact O-CG 3.27Å; D246-L250 PolarHBondContact O-N 2.76Å; L250-Y252 VanDerWaalsContact C-N 3.31Å; L250-Y252 PolarHBondContact O-N 3.4Å; L250-S254 VanDerWaalsContact O-CB 3.29Å; L250-S254 WeakPolarHBondContact O-CB 3.42Å; L250-S254 PolarHBondContact O-N 3.39Å; L250-P257 HydrophobicContact CB-CB 4.15Å; L250-P257 WeakPolarHBondContact O-CG 3.24Å; L250-E260 HydrophobicContact CD2-CB 3.8Å; L250-E260 HydrophobicContact CD2-CG 3.85Å; L250-F264 HydrophobicContact CD2-CD1 3.57Å; L250-F264 HydrophobicContact CD2-CE1 4.12Å; L250-F264 HydrophobicContact CD2-CG 4.33Å; L250-V265 HydrophobicContact CD1-CG2 4.18Å; L250-V265 HydrophobicContact CD2-CG2 4.03Å; L250-V265 HydrophobicContact CG-CG2 3.65Å
251K96.8Very high96.7Very high135 Ų13557 Ų5759%0.58731%0.306SS*.Hα-helixtrans-59.3-38-177.1-177.5177.9177.9-174.30114A247 T248 I249A247-K251 VanDerWaalsContact O-CB 3.3Å; A247-K251 WeakPolarHBondContact O-CB 3.25Å; A247-K251 PolarHBondContact O-N 3.23Å; T248-K251 PolarHBondContact O-N 2.98Å; I249-K251 VanDerWaalsContact C-N 3.31Å; I249-K251 PolarHBondContact O-N 2.9Å
252Y96.9Very high96.6Very high143 Ų14361.1 Ų61.156%0.56134%0.34SS*.Hα-helixtrans-106.3-22.9-170.4-71.7-74.1000114.7W241 T248 I249 L250W241-Y252 VanDerWaalsContact CH2-CB 3.43Å; W241-Y252 HydrophobicContact CH2-CD2 4.27Å; W241-Y252 AromaticContact CH2-CG 3.94Å; W241-Y252 HydrophobicContact CH2-CG 3.94Å; W241-Y252 HydrophobicContact CZ3-CD2 4.31Å; W241-Y252 HydrophobicContact CZ3-CG 4.34Å; T248-Y252 HydrophobicContact CG2-CD2 3.85Å; T248-Y252 HydrophobicContact CG2-CE2 4.14Å; T248-Y252 VanDerWaalsContact O-CD2 3.28Å; T248-Y252 WeakPolarHBondContact O-CD2 3.5Å; T248-Y252 PolarHBondContact O-N 2.91Å; T248-Y252 VanDerWaalsContact O-N 3.13Å; I249-Y252 PolarHBondContact O-N 2.95Å; L250-Y252 VanDerWaalsContact C-N 3.31Å; L250-Y252 PolarHBondContact O-N 3.4Å
253L96.4Very high96.6Very high47 Ų4762 Ų6225%0.24634%0.342CS..Hα-helixtrans-112.6-5.4-175.5-57.3-174.1000113.7W241 I249 I268 I272W241-L253 HydrophobicContact CB-CD1 4.39Å; W241-L253 HydrophobicContact CD2-CD1 3.78Å; W241-L253 HydrophobicContact CD2-CD2 4.29Å; W241-L253 HydrophobicContact CD2-CG 4.24Å; W241-L253 HydrophobicContact CE3-CD1 3.99Å; W241-L253 HydrophobicContact CE3-CG 4.22Å; W241-L253 HydrophobicContact CG-CD1 3.94Å; W241-L253 HydrophobicContact CH2-CD2 4.32Å; W241-L253 HydrophobicContact CZ2-CD2 3.94Å; W241-L253 HydrophobicContact CZ2-CG 4.5Å; W241-L253 HydrophobicContact CZ3-CG 4.35Å; I249-L253 HydrophobicContact CG2-CB 4.41Å; I249-L253 HydrophobicContact CG2-CD1 4.2Å; I249-L253 WeakPolarHBondContact O-CA 3.48Å; I249-L253 WeakPolarHBondContact O-CB 3.5Å; I249-L253 PolarHBondContact O-N 3.23Å; L253-I268 HydrophobicContact CD1-CG2 3.68Å; L253-I272 HydrophobicContact CD1-CD1 4.41Å
254S96.5Very high96.7Very high16 Ų1659.1 Ų59.111%0.11232%0.318CS..  trans-106149.3170.6162.50000111.3L250 S256 E260L250-S254 VanDerWaalsContact O-CB 3.29Å; L250-S254 WeakPolarHBondContact O-CB 3.42Å; L250-S254 PolarHBondContact O-N 3.39Å; S254-S256 VanDerWaalsContact C-N 3.32Å; S254-S256 PolarHBondContact OG-N 2.89Å; S254-S256 PolarHBondContact OG-O 2.92Å; S254-E260 WeakPolarHBondContact CB-OE1 3.48Å; S254-E260 WeakPolarHBondContact OG-CG 3.4Å; S254-E260 PolarHBondContact OG-OE1 2.9Å
255T95.1Very high96.7Very high61 Ų6157.7 Ų57.737%0.37431%0.312SS..SBendtrans-79.7-14.1169.9530000113.2T74T74-T255 PolarHBondContact OG1-OG1 3.15Å
256S96.3Very high96.6Very high8 Ų861.4 Ų61.46%0.05632%0.323CS..SBendtrans-148.774.5-177.751.70000111.5T73 S254 F258 A259 E260T73-S256 WeakPolarHBondContact CB-OG 3.3Å; T73-S256 PolarHBondContact OG1-OG 3.32Å; S254-S256 VanDerWaalsContact C-N 3.32Å; S254-S256 PolarHBondContact OG-N 2.89Å; S254-S256 PolarHBondContact OG-O 2.92Å; S256-F258 PolarHBondContact O-N 3.38Å; S256-A259 PolarHBondContact O-N 2.95Å; S256-E260 PolarHBondContact O-N 2.88Å
257P96.6Very high96.6Very high41 Ų4159.4 Ų59.427%0.26631%0.31SS..THydrogen-bonded Turntrans-55.4-26.4-167.4-28.234.7000116.1L250L250-P257 HydrophobicContact CB-CB 4.15Å; L250-P257 WeakPolarHBondContact O-CG 3.24Å
258F95.6Very high96.6Very high152 Ų15256.7 Ų56.767%0.66729%0.286SS*.THydrogen-bonded Turntrans-98.2-4.8-178.3-57.3-71.1000114.4I172 K174 S256I172-F258 HydrophobicContact CG2-CB 3.67Å; K174-F258 WeakPolarHBondContact CE-O 3.28Å; S256-F258 PolarHBondContact O-N 3.38Å
259A96.2Very high96.7Very high2 Ų257.1 Ų57.12%0.01728%0.284CS..THydrogen-bonded Turntrans-110.8-7.1-178.600000112.9F129 K174 Y178 S256F129-A259 HydrophobicContact CE1-CB 3.84Å; F129-A259 HydrophobicContact CE2-CB 4.23Å; F129-A259 HydrophobicContact CZ-CB 3.57Å; K174-A259 HydrophobicContact CG-CB 4.32Å; Y178-A259 VanDerWaalsContact CE1-O 3.23Å; Y178-A259 WeakPolarHBondContact CE1-O 3.41Å; Y178-A259 PolarHBondContact OH-O 2.82Å; S256-A259 PolarHBondContact O-N 2.95Å
260E96.7Very high96.7Very high31 Ų3158.8 Ų58.815%0.14530%0.296CS..SBendtrans-62.8146.4179.8-68.9-57.3159.200113.4T73 L250 S254 S256 F264T73-E260 WeakPolarHBondContact CG2-OE2 3.47Å; L250-E260 HydrophobicContact CD2-CB 3.8Å; L250-E260 HydrophobicContact CD2-CG 3.85Å; S254-E260 WeakPolarHBondContact CB-OE1 3.48Å; S254-E260 WeakPolarHBondContact OG-CG 3.4Å; S254-E260 PolarHBondContact OG-OE1 2.9Å; S256-E260 PolarHBondContact O-N 2.88Å; E260-F264 HydrophobicContact CB-CB 3.79Å; E260-F264 HydrophobicContact CB-CD1 4.37Å; E260-F264 HydrophobicContact CB-CD2 4.22Å; E260-F264 HydrophobicContact CB-CG 3.87Å; E260-F264 VanDerWaalsContact CD-CD2 3.45Å; E260-F264 HydrophobicContact CG-CB 4.27Å; E260-F264 HydrophobicContact CG-CD1 4.08Å; E260-F264 HydrophobicContact CG-CD2 3.82Å; E260-F264 HydrophobicContact CG-CE1 4.41Å; E260-F264 HydrophobicContact CG-CE2 4.17Å; E260-F264 HydrophobicContact CG-CG 3.78Å; E260-F264 HydrophobicContact CG-CZ 4.46Å; E260-F264 WeakPolarHBondContact OE2-CD2 3.43Å
261P94.4Very high96.7Very high16 Ų1656.8 Ų56.810%0.10429%0.286CS..  trans-59153.9170.4-23.834.4000112.9D71 Y178 H263 F264D71-P261 HydrophobicContact CB-CG 4.23Å; Y178-P261 HydrophobicContact CD1-CG 4.15Å; Y178-P261 HydrophobicContact CE1-CG 4.21Å; P261-H263 WeakPolarHBondContact CB-CE1 3.16Å; P261-H263 PolarHBondContact O-N 3.14Å; P261-F264 VanDerWaalsContact O-CB 3.3Å; P261-F264 WeakPolarHBondContact O-CB 3.46Å; P261-F264 PolarHBondContact O-N 2.99Å
262P94.4Very high96.7Very high141 Ų14150.4 Ų50.492%0.91626%0.258SS*.THydrogen-bonded Turntrans-57.1-27.5-178.2-25.934.3000115
263H95.6Very high96.7Very high70 Ų7049 Ų4932%0.32426%0.256SS..THydrogen-bonded Turntrans-86.7-3.5-179.260.6-85.4000114.4D71 K197 P261 V265 Q266 H267D71-H263 IonicContact OD1-CE1 3.35Å; D71-H263 PolarHBondContact OD1-CE1 3.21Å; D71-H263 IonicContact OD1-NE2 2.65Å; D71-H263 PolarHBondContact OD1-NE2 3.04Å; D71-H263 VanDerWaalsContact OD1-NE2 3.11Å; D71-H263 IonicContact OD2-CE1 2.91Å; D71-H263 IonicContact OD2-NE2 3.82Å; D71-H263 PolarHBondContact OD2-NE2 3.37Å; K197-H263 PolarHBondContact NZ-NE2 3.03Å; P261-H263 WeakPolarHBondContact CB-CE1 3.16Å; P261-H263 PolarHBondContact O-N 3.14Å; H263-V265 PolarHBondContact O-N 2.81Å; H263-Q266 PolarHBondContact O-N 2.96Å; H263-H267 PolarHBondContact O-N 2.81Å
264F97.6Very high96.8Very high31 Ų3148.5 Ų48.514%0.13625%0.252CS..Hα-helixtrans-52.7-52.9-173.2175-91.6000112.8I249 L250 E260 P261 Q266 H267 I268I249-F264 HydrophobicContact CG2-CE1 4.49Å; L250-F264 HydrophobicContact CD2-CD1 3.57Å; L250-F264 HydrophobicContact CD2-CE1 4.12Å; L250-F264 HydrophobicContact CD2-CG 4.33Å; E260-F264 HydrophobicContact CB-CB 3.79Å; E260-F264 HydrophobicContact CB-CD1 4.37Å; E260-F264 HydrophobicContact CB-CD2 4.22Å; E260-F264 HydrophobicContact CB-CG 3.87Å; E260-F264 VanDerWaalsContact CD-CD2 3.45Å; E260-F264 HydrophobicContact CG-CB 4.27Å; E260-F264 HydrophobicContact CG-CD1 4.08Å; E260-F264 HydrophobicContact CG-CD2 3.82Å; E260-F264 HydrophobicContact CG-CE1 4.41Å; E260-F264 HydrophobicContact CG-CE2 4.17Å; E260-F264 HydrophobicContact CG-CG 3.78Å; E260-F264 HydrophobicContact CG-CZ 4.46Å; E260-F264 WeakPolarHBondContact OE2-CD2 3.43Å; P261-F264 VanDerWaalsContact O-CB 3.3Å; P261-F264 WeakPolarHBondContact O-CB 3.46Å; P261-F264 PolarHBondContact O-N 2.99Å; F264-Q266 VanDerWaalsContact C-N 3.34Å; F264-Q266 PolarHBondContact O-N 3.22Å; F264-H267 WeakPolarHBondContact O-CB 3.23Å; F264-H267 PolarHBondContact O-N 3.23Å; F264-H267 VanDerWaalsContact O-N 3.13Å; F264-I268 HydrophobicContact CD1-CG1 4.18Å; F264-I268 HydrophobicContact CE1-CD1 4.5Å; F264-I268 HydrophobicContact CE1-CG1 3.7Å; F264-I268 HydrophobicContact CE2-CD1 4.26Å; F264-I268 HydrophobicContact CE2-CG1 4.14Å; F264-I268 HydrophobicContact CZ-CD1 3.98Å; F264-I268 HydrophobicContact CZ-CG1 3.66Å; F264-I268 WeakPolarHBondContact O-CG1 3.4Å; F264-I268 PolarHBondContact O-N 3.09Å
265V98.1Very high96.8Very high11 Ų1148.3 Ų48.37%0.06725%0.25CS..Hα-helixtrans-64-40.3-176.2176.80000111.8D246 I249 L250 H263 H267 I268 K269D246-V265 HydrophobicContact CB-CB 4.4Å; D246-V265 HydrophobicContact CB-CG1 4.02Å; D246-V265 HydrophobicContact CB-CG2 4.08Å; D246-V265 VanDerWaalsContact OD1-CG1 3.32Å; D246-V265 WeakPolarHBondContact OD1-CG1 3.48Å; I249-V265 HydrophobicContact CB-CG1 4.19Å; I249-V265 HydrophobicContact CB-CG2 4.41Å; I249-V265 HydrophobicContact CD1-CG1 3.75Å; I249-V265 HydrophobicContact CG2-CB 4.43Å; I249-V265 HydrophobicContact CG2-CG1 4.01Å; I249-V265 HydrophobicContact CG2-CG2 4.1Å; L250-V265 HydrophobicContact CD1-CG2 4.18Å; L250-V265 HydrophobicContact CD2-CG2 4.03Å; L250-V265 HydrophobicContact CG-CG2 3.65Å; H263-V265 PolarHBondContact O-N 2.81Å; V265-H267 VanDerWaalsContact C-N 3.31Å; V265-H267 PolarHBondContact O-N 3.45Å; V265-I268 PolarHBondContact O-N 3.22Å; V265-K269 HydrophobicContact CG1-CD 4.19Å; V265-K269 HydrophobicContact CG1-CG 4.44Å; V265-K269 WeakPolarHBondContact O-CG 3.47Å; V265-K269 PolarHBondContact O-N 2.88Å
266Q97.7Very high96.8Very high141 Ų14147.9 Ų47.966%0.65925%0.245SC*.Hα-helixtrans-62.2-41.8176.1-177.7-176.7-900111H263 F264 K269 S270H263-Q266 PolarHBondContact O-N 2.96Å; F264-Q266 VanDerWaalsContact C-N 3.34Å; F264-Q266 PolarHBondContact O-N 3.22Å; Q266-K269 PolarHBondContact O-N 2.53Å; Q266-S270 WeakPolarHBondContact O-CB 3.08Å; Q266-S270 PolarHBondContact O-N 3.24Å; Q266-S270 PolarHBondContact O-OG 3.4Å
267H97.5Very high96.8Very high46 Ų4651.1 Ų51.121%0.21327%0.268CS..Hα-helixtrans-64.4-43.9177.6-173.584.4000111.9E201 M202 S205 H263 F264 V265 S270 T271E201-H267 IonicContact OE1-CE1 2.69Å; E201-H267 PolarHBondContact OE1-CE1 2.62Å; E201-H267 VanDerWaalsContact OE1-CE1 3.29Å; E201-H267 IonicContact OE1-ND1 2.89Å; E201-H267 PolarHBondContact OE1-ND1 3.39Å; M202-H267 VanDerWaalsContact CE-CE1 3.44Å; M202-H267 WeakPolarHBondContact CE-CE1 3.46Å; S205-H267 PolarHBondContact OG-CE1 2.9Å; S205-H267 PolarHBondContact OG-NE2 2.87Å; H263-H267 PolarHBondContact O-N 2.81Å; F264-H267 WeakPolarHBondContact O-CB 3.23Å; F264-H267 PolarHBondContact O-N 3.23Å; F264-H267 VanDerWaalsContact O-N 3.13Å; V265-H267 VanDerWaalsContact C-N 3.31Å; V265-H267 PolarHBondContact O-N 3.45Å; H267-S270 PolarHBondContact O-N 3.17Å; H267-T271 WeakPolarHBondContact O-CB 3.28Å; H267-T271 PolarHBondContact O-N 3.18Å; H267-T271 PolarHBondContact O-OG1 2.85Å
268I98Very high96.7Very high15 Ų1551.6 Ų51.68%0.07727%0.266CS..Hα-helixtrans-60-49.7174.4-66.5-59.7000111F209 I249 L253 F264 V265 S270 T271 I272F209-I268 HydrophobicContact CD2-CD1 4.23Å; F209-I268 HydrophobicContact CE2-CD1 4.15Å; F209-I268 HydrophobicContact CE2-CG2 4.3Å; I249-I268 HydrophobicContact CG2-CB 4.39Å; I249-I268 HydrophobicContact CG2-CG2 4.1Å; L253-I268 HydrophobicContact CD1-CG2 3.68Å; F264-I268 HydrophobicContact CD1-CG1 4.18Å; F264-I268 HydrophobicContact CE1-CD1 4.5Å; F264-I268 HydrophobicContact CE1-CG1 3.7Å; F264-I268 HydrophobicContact CE2-CD1 4.26Å; F264-I268 HydrophobicContact CE2-CG1 4.14Å; F264-I268 HydrophobicContact CZ-CD1 3.98Å; F264-I268 HydrophobicContact CZ-CG1 3.66Å; F264-I268 WeakPolarHBondContact O-CG1 3.4Å; F264-I268 PolarHBondContact O-N 3.09Å; V265-I268 PolarHBondContact O-N 3.22Å; I268-S270 VanDerWaalsContact C-N 3.29Å; I268-S270 PolarHBondContact O-N 3.15Å; I268-T271 WeakPolarHBondContact O-CB 3.36Å; I268-T271 PolarHBondContact O-N 3.45Å; I268-T271 VanDerWaalsContact O-N 3.15Å; I268-I272 HydrophobicContact CG2-CD1 3.83Å; I268-I272 HydrophobicContact CG2-CG1 4.4Å; I268-I272 VanDerWaalsContact O-CG1 3.32Å; I268-I272 WeakPolarHBondContact O-CG1 3.44Å; I268-I272 PolarHBondContact O-N 3.35Å
269K98.1Very high96.4Very high48 Ų4847 Ų4721%0.20925%0.252CS..Hα-helixtrans-58.4-41.6178-73.6179.6177.6171.60111.8L242 Q244 D246 I249 V265 Q266 I272 Q273L242-K269 HydrophobicContact CD2-CB 4.03Å; L242-K269 HydrophobicContact CD2-CG 4.19Å; L242-K269 WeakPolarHBondContact CD2-O 3.21Å; Q244-K269 PolarHBondContact O-NZ 2.8Å; D246-K269 IonicContact OD1-NZ 3.91Å; D246-K269 PolarHBondContact OD1-NZ 3.39Å; I249-K269 HydrophobicContact CD1-CD 4.25Å; I249-K269 HydrophobicContact CD1-CG 4.08Å; V265-K269 HydrophobicContact CG1-CD 4.19Å; V265-K269 HydrophobicContact CG1-CG 4.44Å; V265-K269 WeakPolarHBondContact O-CG 3.47Å; V265-K269 PolarHBondContact O-N 2.88Å; Q266-K269 PolarHBondContact O-N 2.53Å; K269-I272 PolarHBondContact O-N 2.69Å; K269-Q273 WeakPolarHBondContact O-CG 3.29Å; K269-Q273 PolarHBondContact O-N 3.37Å
270S98.2Very high96.1Very high36 Ų3650.1 Ų50.125%0.25227%0.268SS..Hα-helixtrans-65.2-39.8177.6-54.90000112M202 Q266 H267 I268 Q273 F274M202-S270 VanDerWaalsContact SD-CB 3.53Å; Q266-S270 WeakPolarHBondContact O-CB 3.08Å; Q266-S270 PolarHBondContact O-N 3.24Å; Q266-S270 PolarHBondContact O-OG 3.4Å; H267-S270 PolarHBondContact O-N 3.17Å; I268-S270 VanDerWaalsContact C-N 3.29Å; I268-S270 PolarHBondContact O-N 3.15Å; S270-Q273 PolarHBondContact O-N 3.03Å; S270-F274 PolarHBondContact O-N 3.38Å
271T97.9Very high95.9Very high2 Ų248.8 Ų48.81%0.01226%0.262CS..Hα-helixtrans-64.3-42.9175.7-58.50000111.3S205 A206 F209 H267 I268 F274 L275S205-T271 WeakPolarHBondContact CB-OG1 3.47Å; A206-T271 HydrophobicContact CB-CG2 4.32Å; F209-T271 HydrophobicContact CB-CG2 3.92Å; F209-T271 HydrophobicContact CD2-CG2 4.43Å; F209-T271 HydrophobicContact CG-CG2 4.19Å; H267-T271 WeakPolarHBondContact O-CB 3.28Å; H267-T271 PolarHBondContact O-N 3.18Å; H267-T271 PolarHBondContact O-OG1 2.85Å; I268-T271 WeakPolarHBondContact O-CB 3.36Å; I268-T271 PolarHBondContact O-N 3.45Å; I268-T271 VanDerWaalsContact O-N 3.15Å; T271-F274 WeakPolarHBondContact O-CB 3.43Å; T271-F274 PolarHBondContact O-N 2.89Å; T271-L275 PolarHBondContact O-N 2.89Å
272I97.4Very high95.6Very high1 Ų153.1 Ų53.11%0.00529%0.285CS..Hα-helixtrans-64.6-43.2176.5-66.6176.7000111.1F209 I238 W241 L242 L253 I268 K269 F274 L275 L276F209-I272 HydrophobicContact CZ-CD1 4.31Å; F209-I272 HydrophobicContact CZ-CG1 4.24Å; I238-I272 HydrophobicContact CB-CG2 4.49Å; I238-I272 HydrophobicContact CD1-CB 4.44Å; I238-I272 HydrophobicContact CD1-CG1 3.89Å; I238-I272 HydrophobicContact CD1-CG2 4.22Å; I238-I272 HydrophobicContact CG1-CB 4.49Å; I238-I272 HydrophobicContact CG1-CD1 4.14Å; I238-I272 HydrophobicContact CG1-CG1 3.96Å; I238-I272 HydrophobicContact CG1-CG2 3.9Å; I238-I272 HydrophobicContact CG2-CG2 4.12Å; W241-I272 HydrophobicContact CB-CD1 3.56Å; W241-I272 HydrophobicContact CG-CD1 4.2Å; L242-I272 HydrophobicContact CD1-CG2 4.12Å; L242-I272 HydrophobicContact CD2-CB 3.93Å; L242-I272 HydrophobicContact CD2-CG2 3.73Å; L242-I272 HydrophobicContact CG-CB 4.47Å; L242-I272 HydrophobicContact CG-CG2 3.71Å; L253-I272 HydrophobicContact CD1-CD1 4.41Å; I268-I272 HydrophobicContact CG2-CD1 3.83Å; I268-I272 HydrophobicContact CG2-CG1 4.4Å; I268-I272 VanDerWaalsContact O-CG1 3.32Å; I268-I272 WeakPolarHBondContact O-CG1 3.44Å; I268-I272 PolarHBondContact O-N 3.35Å; K269-I272 PolarHBondContact O-N 2.69Å; I272-F274 VanDerWaalsContact C-N 3.28Å; I272-F274 PolarHBondContact O-N 3.2Å; I272-L275 PolarHBondContact O-N 2.99Å; I272-L276 HydrophobicContact CG2-CD1 4.12Å; I272-L276 HydrophobicContact CG2-CG 4.46Å; I272-L276 WeakPolarHBondContact O-CG 3.46Å; I272-L276 PolarHBondContact O-N 3.42Å
273Q97.3Very high95.4Very high112 Ų11250.3 Ų50.352%0.52327%0.268SS..Hα-helixtrans-60.4-38.5173.7-74.1172.4-1300112.1L242 K269 S270 L276 S277L242-Q273 HydrophobicContact CD1-CG 3.94Å; L242-Q273 HydrophobicContact CD2-CG 3.97Å; K269-Q273 WeakPolarHBondContact O-CG 3.29Å; K269-Q273 PolarHBondContact O-N 3.37Å; S270-Q273 PolarHBondContact O-N 3.03Å; Q273-L276 PolarHBondContact O-N 2.96Å; Q273-S277 PolarHBondContact O-N 3.44Å; Q273-S277 PolarHBondContact O-OG 2.93Å
274F97.2Very high95.3Very high38 Ų3848 Ų4817%0.16726%0.258CS..Hα-helixtrans-62.9-44.3174.7-174.7-87.5000111.9M202 L203 A206 W232 S270 T271 I272 S277 H278 L284M202-F274 HydrophobicContact CB-CB 3.9Å; M202-F274 HydrophobicContact CB-CD1 4.46Å; M202-F274 HydrophobicContact CB-CD2 3.57Å; M202-F274 HydrophobicContact CB-CE2 4.23Å; M202-F274 HydrophobicContact CB-CG 3.71Å; L203-F274 HydrophobicContact CB-CE1 4.13Å; L203-F274 HydrophobicContact CB-CZ 3.83Å; L203-F274 HydrophobicContact CD1-CE1 4.09Å; L203-F274 HydrophobicContact CD1-CZ 4.23Å; A206-F274 HydrophobicContact CB-CD1 3.76Å; A206-F274 HydrophobicContact CB-CE1 4.18Å; W232-F274 HydrophobicContact CH2-CE1 4.18Å; W232-F274 HydrophobicContact CZ2-CE1 4.36Å; S270-F274 PolarHBondContact O-N 3.38Å; T271-F274 WeakPolarHBondContact O-CB 3.43Å; T271-F274 PolarHBondContact O-N 2.89Å; I272-F274 VanDerWaalsContact C-N 3.28Å; I272-F274 PolarHBondContact O-N 3.2Å; F274-S277 WeakPolarHBondContact CA-OG 3.42Å; F274-S277 PolarHBondContact O-N 2.92Å; F274-S277 PolarHBondContact O-OG 3.36Å; F274-H278 AromaticContact CD2-ND1 3.96Å; F274-H278 AromaticContact CE1-ND1 3.97Å; F274-H278 AromaticContact CE2-CE1 3.73Å; F274-H278 AromaticContact CE2-ND1 3.8Å; F274-H278 AromaticContact CZ-ND1 3.8Å; F274-H278 PolarHBondContact O-N 2.92Å; F274-H278 PolarHBondContact O-ND1 2.94Å; F274-L284 HydrophobicContact CE1-CD1 3.92Å; F274-L284 HydrophobicContact CZ-CD1 3.86Å; F274-L284 HydrophobicContact CZ-CD2 4.44Å
275L96.7Very high95.2Very high12 Ų1247 Ų476%0.06325%0.254CS..Hα-helixtrans-63.1-41.1176.1-74.1168000112.4A206 F209 T210 W232 I238 T271 I272 H278A206-L275 HydrophobicContact CB-CD2 3.7Å; A206-L275 HydrophobicContact CB-CG 3.93Å; F209-L275 HydrophobicContact CD1-CD1 3.76Å; F209-L275 HydrophobicContact CE1-CD1 4.37Å; F209-L275 HydrophobicContact CG-CD1 4.45Å; T210-L275 HydrophobicContact CG2-CD1 3.87Å; T210-L275 HydrophobicContact CG2-CD2 3.62Å; T210-L275 HydrophobicContact CG2-CG 4.42Å; W232-L275 HydrophobicContact CD2-CD2 3.85Å; W232-L275 HydrophobicContact CE3-CD2 4.38Å; W232-L275 HydrophobicContact CG-CD2 4.02Å; W232-L275 HydrophobicContact CZ2-CD2 4.24Å; I238-L275 HydrophobicContact CD1-CD1 3.64Å; T271-L275 PolarHBondContact O-N 2.89Å; I272-L275 PolarHBondContact O-N 2.99Å; L275-H278 CarbonylContact O-C 3.58Å; L275-H278 PolarHBondContact O-N 3.33Å; L275-H278 VanDerWaalsContact O-O 3.05Å
276L95.4Very high94.8Very high52 Ų5250.7 Ų50.727%0.27228%0.278SS..Hα-helixtrans-68.6-34.1177.8-69.6173.1000113I238 A239 L242 I272 Q273 H278I238-L276 HydrophobicContact CG2-CD2 3.65Å; I238-L276 HydrophobicContact CG2-CG 4.06Å; A239-L276 HydrophobicContact CB-CD1 3.84Å; A239-L276 HydrophobicContact CB-CD2 4.1Å; L242-L276 HydrophobicContact CD1-CD1 3.53Å; I272-L276 HydrophobicContact CG2-CD1 4.12Å; I272-L276 HydrophobicContact CG2-CG 4.46Å; I272-L276 WeakPolarHBondContact O-CG 3.46Å; I272-L276 PolarHBondContact O-N 3.42Å; Q273-L276 PolarHBondContact O-N 2.96Å; L276-H278 VanDerWaalsContact C-N 3.28Å
277S95.4Very high94.4Very high76 Ų7647.6 Ų47.653%0.53128%0.284SS..Hα-helixtrans-75.7-18.3173.951.90000113.1Q273 F274Q273-S277 PolarHBondContact O-N 3.44Å; Q273-S277 PolarHBondContact O-OG 2.93Å; F274-S277 WeakPolarHBondContact CA-OG 3.42Å; F274-S277 PolarHBondContact O-N 2.92Å; F274-S277 PolarHBondContact O-OG 3.36Å
278H94.8Very high94.1Very high50 Ų5047.6 Ų47.623%0.23130%0.296CS..  trans-129.871.3175.9-53.387.4000110.6W232 F274 L275 L276 N280 L284W232-H278 HydrophobicContact CZ2-CB 4.34Å; W232-H278 PolarHBondContact NE1-O 2.94Å; F274-H278 AromaticContact CD2-ND1 3.96Å; F274-H278 AromaticContact CE1-ND1 3.97Å; F274-H278 AromaticContact CE2-CE1 3.73Å; F274-H278 AromaticContact CE2-ND1 3.8Å; F274-H278 AromaticContact CZ-ND1 3.8Å; F274-H278 PolarHBondContact O-N 2.92Å; F274-H278 PolarHBondContact O-ND1 2.94Å; L275-H278 CarbonylContact O-C 3.58Å; L275-H278 PolarHBondContact O-N 3.33Å; L275-H278 VanDerWaalsContact O-O 3.05Å; L276-H278 VanDerWaalsContact C-N 3.28Å; H278-N280 PolarHBondContact O-N 3.36Å; H278-L284 HydrophobicContact CB-CD1 4.06Å; H278-L284 HydrophobicContact CB-CG 4.49Å; H278-L284 WeakPolarHBondContact CD2-CD2 3.33Å
279P90.8Very high93.9Very high57 Ų5751.7 Ų51.737%0.3732%0.315SS..SBendtrans-57.9-22-173.8-25.434.3000114.3S233 P234S233-P279 CarbonylContact C-O 3.59Å; P234-P279 VanDerWaalsContact CA-O 3.28Å; P234-P279 WeakPolarHBondContact CA-O 3.48Å; P234-P279 HydrophobicContact CB-CB 4.06Å; P234-P279 WeakPolarHBondContact CD-O 3.32Å; P234-P279 HydrophobicContact CG-CB 4.15Å; P234-P279 VanDerWaalsContact CG-O 3.29Å; P234-P279 WeakPolarHBondContact CG-O 3.43Å; P234-P279 VanDerWaalsContact N-O 3.12Å
280N89.2Confident93.8Very high66 Ų6650.3 Ų50.335%0.35331%0.311SS..SBendtrans-133.9153.4164.563.285.8000109.1H278 N282H278-N280 PolarHBondContact O-N 3.36Å; N280-N282 WeakPolarHBondContact OD1-CB 3.08Å; N280-N282 PolarHBondContact OD1-N 2.95Å
281S91.2Very high93.7Very high3 Ų349.2 Ų49.22%0.02130%0.302CS..SBendtrans-83-7.7-17956.90000114.2C230 Q231 S283 L284 F285C230-S281 VanDerWaalsContact O-CB 3.24Å; C230-S281 WeakPolarHBondContact O-CB 3.31Å; C230-S281 PolarHBondContact O-OG 3.26Å; Q231-S281 WeakPolarHBondContact CA-OG 3.46Å; S281-S283 VanDerWaalsContact C-N 3.3Å; S281-S283 PolarHBondContact O-N 2.93Å; S281-L284 WeakPolarHBondContact O-CA 3.16Å; S281-L284 VanDerWaalsContact O-CB 3.29Å; S281-L284 WeakPolarHBondContact O-CB 3.36Å; S281-L284 PolarHBondContact O-N 3.42Å; S281-F285 WeakPolarHBondContact O-CD2 3.01Å; S281-F285 PolarHBondContact O-N 2.84Å
282N89.5Confident93.7Very high108 Ų10850.7 Ų50.758%0.57831%0.31SS*.G310 helixtrans-60-39.6-172.9-67.6-23.2000112.6N280 L284 F285N280-N282 WeakPolarHBondContact OD1-CB 3.08Å; N280-N282 PolarHBondContact OD1-N 2.95Å; N282-L284 PolarHBondContact O-N 2.86Å; N282-F285 CarbonylContact O-C 3.46Å; N282-F285 PolarHBondContact O-N 3.06Å
283S90.8Very high93.7Very high81 Ų8151.8 Ų51.857%0.56631%0.314SS*.G310 helixtrans-67.4-24.4177.358.90000113S281 F285S281-S283 VanDerWaalsContact C-N 3.3Å; S281-S283 PolarHBondContact O-N 2.93Å; S283-F285 VanDerWaalsContact C-N 3.34Å
284L93.3Very high93.6Very high23 Ų2349.1 Ų49.112%0.1230%0.302CS..G310 helixtrans-74.4-27.6176.3-63.1174.6000111.3L203 W232 F274 H278 S281 N282 P286 H291L203-L284 HydrophobicContact CD1-CD1 3.72Å; W232-L284 HydrophobicContact CH2-CD1 3.78Å; W232-L284 HydrophobicContact CZ2-CD1 3.81Å; F274-L284 HydrophobicContact CE1-CD1 3.92Å; F274-L284 HydrophobicContact CZ-CD1 3.86Å; F274-L284 HydrophobicContact CZ-CD2 4.44Å; H278-L284 HydrophobicContact CB-CD1 4.06Å; H278-L284 HydrophobicContact CB-CG 4.49Å; H278-L284 WeakPolarHBondContact CD2-CD2 3.33Å; S281-L284 WeakPolarHBondContact O-CA 3.16Å; S281-L284 VanDerWaalsContact O-CB 3.29Å; S281-L284 WeakPolarHBondContact O-CB 3.36Å; S281-L284 PolarHBondContact O-N 3.42Å; N282-L284 PolarHBondContact O-N 2.86Å; L284-P286 VanDerWaalsContact C-CD 3.44Å; L284-P286 VanDerWaalsContact O-CD 3.3Å; L284-P286 WeakPolarHBondContact O-CD 3.29Å; L284-H291 PolarHBondContact O-NE2 3.24Å
285F93.9Very high93.4Very high9 Ų949 Ų494%0.03930%0.3CS..SBendtrans-121.172.5-179.4-54-80.1000111.5L203 V227 G228 P229 C230 S281 N282 S283 G287 G288 Q289 H291L203-F285 HydrophobicContact CD1-CE2 4.24Å; L203-F285 HydrophobicContact CD1-CZ 4.02Å; L203-F285 HydrophobicContact CD2-CE1 4.33Å; L203-F285 HydrophobicContact CD2-CZ 3.87Å; L203-F285 HydrophobicContact CG-CZ 4.34Å; V227-F285 WeakPolarHBondContact O-CE1 3.12Å; G228-F285 VanDerWaalsContact O-CE1 3.28Å; G228-F285 WeakPolarHBondContact O-CE1 3.35Å; G228-F285 WeakPolarHBondContact O-CZ 3.49Å; P229-F285 HydrophobicContact CB-CB 4.14Å; P229-F285 HydrophobicContact CB-CD1 4.26Å; P229-F285 HydrophobicContact CB-CD2 4.16Å; P229-F285 HydrophobicContact CB-CG 3.92Å; P229-F285 HydrophobicContact CG-CB 4.22Å; P229-F285 HydrophobicContact CG-CD1 4.19Å; P229-F285 HydrophobicContact CG-CG 4.19Å; C230-F285 VanDerWaalsContact SG-CE2 3.54Å; S281-F285 WeakPolarHBondContact O-CD2 3.01Å; S281-F285 PolarHBondContact O-N 2.84Å; N282-F285 CarbonylContact O-C 3.46Å; N282-F285 PolarHBondContact O-N 3.06Å; S283-F285 VanDerWaalsContact C-N 3.34Å; F285-G287 PolarHBondContact O-N 3.49Å; F285-G288 WeakPolarHBondContact O-CA 3.32Å; F285-G288 PolarHBondContact O-N 2.84Å; F285-Q289 WeakPolarHBondContact CD1-O 3.48Å; F285-H291 AromaticContact CD1-CD2 3.91Å; F285-H291 AromaticContact CE1-CD2 3.95Å
286P90.4Very high93.2Very high89 Ų8951.6 Ų51.658%0.57831%0.312SS*.G310 helixtrans-53129.6176.3-24.633.7000111.4L284 G288 Q289L284-P286 VanDerWaalsContact C-CD 3.44Å; L284-P286 VanDerWaalsContact O-CD 3.3Å; L284-P286 WeakPolarHBondContact O-CD 3.29Å; P286-G288 PolarHBondContact O-N 3.47Å; P286-G288 VanDerWaalsContact O-N 3.16Å; P286-Q289 PolarHBondContact O-N 3.34Å; P286-Q289 VanDerWaalsContact O-N 3.15Å
287G88.8Confident92.8Very high76 Ų7659 Ų5978%0.78435%0.346SS*.G310 helixtrans62.419.2-177.500000114.6F285 Q289F285-G287 PolarHBondContact O-N 3.49Å; G287-Q289 PolarHBondContact O-N 3.08Å; G287-Q289 PolarHBondContact O-NE2 3.16Å
288G90.8Very high92.3Very high46 Ų4658.8 Ų58.847%0.47434%0.344SS..G310 helixtrans67.118.5-175.900000113.6P229 F285 P286P229-G288 WeakPolarHBondContact CG-O 3.43Å; F285-G288 WeakPolarHBondContact O-CA 3.32Å; F285-G288 PolarHBondContact O-N 2.84Å; P286-G288 PolarHBondContact O-N 3.47Å; P286-G288 VanDerWaalsContact O-N 3.16Å
289Q94.2Very high91.9Very high100 Ų10056.8 Ų56.847%0.46734%0.337SS..PPolyproline II helixtrans-81.2138.3-177.9-63.5-55-45.700111.6F285 P286 G287F285-Q289 WeakPolarHBondContact CD1-O 3.48Å; P286-Q289 PolarHBondContact O-N 3.34Å; P286-Q289 VanDerWaalsContact O-N 3.15Å; G287-Q289 PolarHBondContact O-N 3.08Å; G287-Q289 PolarHBondContact O-NE2 3.16Å
290P95.9Very high91.9Very high20 Ų2057 Ų5713%0.1334%0.34CS..PPolyproline II helixtrans-68.9155.6175.731.6-36.1000111.2R226 V227 L292 Q306R226-P290 HydrophobicContact CG-CB 3.86Å; R226-P290 HydrophobicContact CG-CG 4.33Å; V227-P290 CarbonylContact O-C 3.49Å; V227-P290 WeakPolarHBondContact O-CA 3.38Å; V227-P290 WeakPolarHBondContact O-CB 3.48Å; P290-L292 HydrophobicContact CB-CD2 4.38Å; P290-L292 HydrophobicContact CG-CD2 4.03Å; P290-L292 HydrophobicContact CG-CG 4.42Å; P290-Q306 PolarHBondContact O-NE2 3.08Å
291H96.8Very high92.2Very high12 Ų1255.7 Ų55.76%0.05633%0.33CS..EExtended strand (participates in β ladder)trans-79.2126163.3-63.7-171.3000108.5R226 V227 L284 F285 Y293 R303R226-H291 WeakPolarHBondContact CA-O 3.44Å; V227-H291 HydrophobicContact CB-CB 4.3Å; V227-H291 PolarHBondContact N-O 3.01Å; V227-H291 PolarHBondContact O-N 3.36Å; L284-H291 PolarHBondContact O-NE2 3.24Å; F285-H291 AromaticContact CD1-CD2 3.91Å; F285-H291 AromaticContact CE1-CD2 3.95Å; H291-Y293 HydrophobicContact CB-CD2 4.33Å; H291-Y293 HydrophobicContact CB-CE2 3.44Å; H291-Y293 VanDerWaalsContact CB-CE2 3.44Å; H291-Y293 PolarHBondContact ND1-OH 3.01Å; H291-Y293 VanDerWaalsContact ND1-OH 3.15Å; H291-R303 PolarHBondContact CD2-NH2 3.26Å; H291-R303 PolarHBondContact CE1-NH2 2.86Å; H291-R303 PolarHBondContact NE2-NH2 2.96Å
292L97.6Very high92.4Very high34 Ų3460.1 Ų60.118%0.17835%0.351CS..EExtended strand (participates in β ladder)trans-107.6135.5175.1-57178000108.7L224 V225 R226 P290 L304L224-L292 HydrophobicContact CD1-CD1 4.44Å; V225-L292 CarbonylContact O-C 3.6Å; V225-L292 WeakPolarHBondContact O-CA 3.3Å; R226-L292 HydrophobicContact CB-CD2 3.98Å; R226-L292 HydrophobicContact CG-CD2 3.85Å; P290-L292 HydrophobicContact CB-CD2 4.38Å; P290-L292 HydrophobicContact CG-CD2 4.03Å; P290-L292 HydrophobicContact CG-CG 4.42Å; L292-L304 HydrophobicContact CB-CB 4.23Å; L292-L304 HydrophobicContact CB-CD1 3.85Å; L292-L304 HydrophobicContact CB-CG 4.36Å; L292-L304 HydrophobicContact CD1-CD1 4.46Å; L292-L304 PolarHBondContact O-N 3.3Å
293Y97.5Very high92.7Very high23 Ų2360.8 Ų60.89%0.0935%0.345CS..EExtended strand (participates in β ladder)trans-126.5137.1175.4-55.8-104.2000110P199 A200 L224 V225 V227 H291 E302 R303P199-Y293 HydrophobicContact CB-CD1 3.53Å; P199-Y293 HydrophobicContact CB-CD2 4.2Å; P199-Y293 HydrophobicContact CB-CE1 3.7Å; P199-Y293 HydrophobicContact CB-CE2 4.35Å; P199-Y293 HydrophobicContact CB-CG 3.84Å; P199-Y293 HydrophobicContact CG-CD1 3.9Å; P199-Y293 HydrophobicContact CG-CD2 3.84Å; P199-Y293 HydrophobicContact CG-CE1 4.38Å; P199-Y293 HydrophobicContact CG-CE2 4.33Å; P199-Y293 HydrophobicContact CG-CG 3.64Å; A200-Y293 HydrophobicContact CB-CE2 4.19Å; L224-Y293 CarbonylContact C-O 3.51Å; L224-Y293 VanDerWaalsContact CA-O 3.31Å; L224-Y293 WeakPolarHBondContact CA-O 3.33Å; V225-Y293 HydrophobicContact CG1-CD2 4.49Å; V225-Y293 PolarHBondContact N-O 2.92Å; V225-Y293 PolarHBondContact O-N 3.33Å; V227-Y293 HydrophobicContact CG2-CE2 4.19Å; H291-Y293 HydrophobicContact CB-CD2 4.33Å; H291-Y293 HydrophobicContact CB-CE2 3.44Å; H291-Y293 VanDerWaalsContact CB-CE2 3.44Å; H291-Y293 PolarHBondContact ND1-OH 3.01Å; H291-Y293 VanDerWaalsContact ND1-OH 3.15Å; Y293-E302 CarbonylContact C-O 3.55Å; Y293-E302 WeakPolarHBondContact CA-O 3.44Å; Y293-E302 WeakPolarHBondContact CB-O 3.45Å; Y293-R303 HydrophobicContact CD1-CB 3.8Å; Y293-R303 HydrophobicContact CD1-CG 4.37Å; Y293-R303 HydrophobicContact CE1-CB 3.53Å; Y293-R303 HydrophobicContact CE1-CG 3.9Å
294H95.4Very high92.8Very high57 Ų5759.8 Ų59.826%0.26433%0.333SS..EExtended strand (participates in β ladder)trans-113.8156.6175.768.7112.8000110.4L224 M296 W301 E302 L304L224-H294 HydrophobicContact CD2-CB 3.68Å; H294-M296 PolarHBondContact CE1-SD 3.23Å; H294-W301 WeakPolarHBondContact O-CA 3.35Å; H294-E302 PolarHBondContact CD2-O 3.4Å; H294-E302 VanDerWaalsContact CD2-O 3.27Å; H294-E302 PolarHBondContact N-O 3.31Å; H294-E302 PolarHBondContact O-N 3.4Å; H294-L304 HydrophobicContact CB-CD2 4.46Å; H294-L304 WeakPolarHBondContact CD2-CD2 3.38Å
295R93.3Very high92.1Very high35 Ų3565.2 Ų65.213%0.13237%0.367CS..EExtended strand (participates in β ladder)trans-78.7131.2176.9-172.177.577.9179.33.3109.6P43 L46 C63 G299 W301P43-R295 PolarHBondContact O-NH1 3.22Å; L46-R295 VanDerWaalsContact C-NH2 3.28Å; L46-R295 VanDerWaalsContact O-CZ 3.3Å; L46-R295 PolarHBondContact O-NH1 3.3Å; L46-R295 PolarHBondContact O-NH2 3.49Å; C63-R295 HydrophobicContact CB-CB 4.13Å; C63-R295 PolarHBondContact O-NE 2.77Å; C63-R295 PolarHBondContact O-NH2 2.98Å; R295-G299 WeakPolarHBondContact CD-O 3.28Å; R295-G299 PolarHBondContact NH1-O 3.28Å; R295-G299 VanDerWaalsContact NH1-O 3.07Å; R295-W301 HydrophobicContact CB-CE3 4.24Å; R295-W301 HydrophobicContact CB-CH2 4.26Å; R295-W301 HydrophobicContact CB-CZ3 3.88Å
296M92Very high90.7Very high66 Ų6669.3 Ų69.333%0.32539%0.386SS..  trans-88.1162.3171.8-65-61-79.700111.6H294 S298 G299 S300 E302H294-M296 PolarHBondContact CE1-SD 3.23Å; M296-S298 WeakPolarHBondContact CB-OG 3.41Å; M296-S298 PolarHBondContact O-N 3.23Å; M296-G299 WeakPolarHBondContact O-CA 3.35Å; M296-G299 PolarHBondContact O-N 3.14Å; M296-S300 PolarHBondContact N-O 3.33Å; M296-E302 WeakPolarHBondContact CE-OE2 3.08Å; M296-E302 HydrophobicContact CG-CB 3.71Å; M296-E302 HydrophobicContact SD-CB 4.08Å
297E87Confident88.8Confident208 Ų20874 Ų7497%0.97242%0.421SS*.THydrogen-bonded Turntrans-58.4-30.4172.9-66.5-176.1174.200112.7G299E297-G299 PolarHBondContact O-N 2.92Å
298S86.3Confident88.7Confident72 Ų7273.9 Ų73.950%0.50340%0.403SS..THydrogen-bonded Turntrans-65-16.8172.960.30000113.4K44 M296 S300K44-S298 WeakPolarHBondContact CG-O 3.45Å; M296-S298 WeakPolarHBondContact CB-OG 3.41Å; M296-S298 PolarHBondContact O-N 3.23Å; S298-S300 PolarHBondContact OG-N 3.06Å; S298-S300 PolarHBondContact OG-OG 3.27Å
299G86.3Confident88.6Confident8 Ų875.3 Ų75.38%0.08240%0.399CS..SBendtrans90.5-4-175.200000115R295 M296 E297R295-G299 WeakPolarHBondContact CD-O 3.28Å; R295-G299 PolarHBondContact NH1-O 3.28Å; R295-G299 VanDerWaalsContact NH1-O 3.07Å; M296-G299 WeakPolarHBondContact O-CA 3.35Å; M296-G299 PolarHBondContact O-N 3.14Å; E297-G299 PolarHBondContact O-N 2.92Å
300S90.3Very high88.3Confident62 Ų6273.9 Ų73.943%0.43440%0.395SS..  trans-77.9155.1174.8580000112.3M296 S298M296-S300 PolarHBondContact N-O 3.33Å; S298-S300 PolarHBondContact OG-N 3.06Å; S298-S300 PolarHBondContact OG-OG 3.27Å
301W94.8Very high87.9Confident37 Ų3777.1 Ų77.114%0.1441%0.411CS..EExtended strand (participates in β ladder)trans-86.4124.7169.3-68.1109.3000110.3L46 L47 V64 P199 Y218 V225 H294 R295L46-W301 PolarHBondContact O-NE1 3.13Å; L47-W301 HydrophobicContact CB-CZ2 4.47Å; L47-W301 HydrophobicContact CD1-CZ2 4.15Å; V64-W301 HydrophobicContact CG2-CH2 3.93Å; V64-W301 HydrophobicContact CG2-CZ2 3.9Å; P199-W301 HydrophobicContact CB-CB 3.9Å; P199-W301 HydrophobicContact CG-CB 3.81Å; P199-W301 HydrophobicContact CG-CG 4.04Å; Y218-W301 AromaticContact CE2-CH2 3.91Å; Y218-W301 HydrophobicContact CE2-CH2 3.91Å; V225-W301 HydrophobicContact CG2-CD2 3.89Å; V225-W301 HydrophobicContact CG2-CE3 3.88Å; V225-W301 HydrophobicContact CG2-CH2 3.73Å; V225-W301 HydrophobicContact CG2-CZ2 3.68Å; V225-W301 HydrophobicContact CG2-CZ3 3.82Å; H294-W301 WeakPolarHBondContact O-CA 3.35Å; R295-W301 HydrophobicContact CB-CE3 4.24Å; R295-W301 HydrophobicContact CB-CH2 4.26Å; R295-W301 HydrophobicContact CB-CZ3 3.88Å
302E95.4Very high87.3Confident97 Ų9781.2 Ų81.245%0.45343%0.433SS..EExtended strand (participates in β ladder)trans-115141.8176.4-176.6166.4-154.500111.2Y293 H294 M296Y293-E302 CarbonylContact C-O 3.55Å; Y293-E302 WeakPolarHBondContact CA-O 3.44Å; Y293-E302 WeakPolarHBondContact CB-O 3.45Å; H294-E302 PolarHBondContact CD2-O 3.4Å; H294-E302 VanDerWaalsContact CD2-O 3.27Å; H294-E302 PolarHBondContact N-O 3.31Å; H294-E302 PolarHBondContact O-N 3.4Å; M296-E302 WeakPolarHBondContact CE-OE2 3.08Å; M296-E302 HydrophobicContact CG-CB 3.71Å; M296-E302 HydrophobicContact SD-CB 4.08Å
303R95.6Very high86.7Confident121 Ų12184.3 Ų84.346%0.45745%0.45SS..EExtended strand (participates in β ladder)trans-75.7127.2-178.4-170174.2175.2-171.8-2.2110.1H291 Y293 V305H291-R303 PolarHBondContact CD2-NH2 3.26Å; H291-R303 PolarHBondContact CE1-NH2 2.86Å; H291-R303 PolarHBondContact NE2-NH2 2.96Å; Y293-R303 HydrophobicContact CD1-CB 3.8Å; Y293-R303 HydrophobicContact CD1-CG 4.37Å; Y293-R303 HydrophobicContact CE1-CB 3.53Å; Y293-R303 HydrophobicContact CE1-CG 3.9Å; R303-V305 PolarHBondContact O-N 2.94Å
304L93.1Very high85.9Confident60 Ų6088.7 Ų88.731%0.31448%0.476SS..  trans-68.7120.5167.8-66.8178.2000109.4L224 L292 H294 Q306L224-L304 HydrophobicContact CD1-CD1 4.32Å; L224-L304 HydrophobicContact CD2-CD1 3.88Å; L292-L304 HydrophobicContact CB-CB 4.23Å; L292-L304 HydrophobicContact CB-CD1 3.85Å; L292-L304 HydrophobicContact CB-CG 4.36Å; L292-L304 HydrophobicContact CD1-CD1 4.46Å; L292-L304 PolarHBondContact O-N 3.3Å; H294-L304 HydrophobicContact CB-CD2 4.46Å; H294-L304 WeakPolarHBondContact CD2-CD2 3.38Å; L304-Q306 PolarHBondContact O-N 3.16Å
305V79.9Confident85.1Confident138 Ų13891.2 Ų91.284%0.83649%0.492SS*.  trans-79.2104.6170.9-174.60000107.3R303 S307R303-V305 PolarHBondContact O-N 2.94Å; V305-S307 PolarHBondContact O-N 3.01Å
306Q63.4Low84.5Confident94 Ų9495.8 Ų95.844%0.43952%0.522SS..  trans-73.8114.7171.6-69.3175.72.700107.9P290 L304P290-Q306 PolarHBondContact O-NE2 3.08Å; L304-Q306 PolarHBondContact O-N 3.16Å
307S49.7Very low83.8Confident187 Ų18798.5 Ų98.5100%1.30854%0.54SS*.  trans-73.30173.759.10000112.1V305V305-S307 PolarHBondContact O-N 3.01Å

Retrieved 307 of 307 residues in 240.6 ms (Link to these results)

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