A0A077YYG5_TRITR Loading...

Replication factor C subunit 3

AlphaFold DB , UniProt , Accession A0A077YYG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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
1M48Very low82.9Confident242 Ų24285 Ų85100%1.19242%0.421SS*.  0128.40-72.3169.4-158.300107.6
2A71.1Confident83.4Confident73 Ų7381.5 Ų81.560%0.60341%0.405SS*.  trans-80.8131.8174.200000108.7
3F85.2Confident83.7Confident122 Ų12275.6 Ų75.654%0.53538%0.376SS..  trans-54.4148173.2-68.7-73000110.8V5 D6 K7 L228F3-V5 HydrophobicContact CB-CB 4.47Å; F3-V5 PolarHBondContact O-N 3.46Å; F3-V5 VanDerWaalsContact O-N 3.11Å; F3-D6 PolarHBondContact O-N 3.09Å; F3-K7 PolarHBondContact O-N 3.11Å; F3-K7 VanDerWaalsContact O-N 3.12Å; F3-L228 HydrophobicContact CD1-CD2 4.22Å
4W88.8Confident83.9Confident34 Ų3476.4 Ų76.413%0.12940%0.401CS..Hα-helixtrans-58.9-29.5179.9-70.46.1000112D6 K7 H8 V199 E203 V227 E231 C234W4-D6 VanDerWaalsContact C-N 3.29Å; W4-D6 PolarHBondContact O-N 3.09Å; W4-K7 PolarHBondContact O-N 3.34Å; W4-H8 PolarHBondContact O-CD2 2.55Å; W4-H8 PolarHBondContact O-N 3.17Å; W4-V199 HydrophobicContact CE3-CG1 4.12Å; W4-E203 HydrophobicContact CD2-CG 3.86Å; W4-E203 HydrophobicContact CE3-CG 4.13Å; W4-E203 HydrophobicContact CG-CG 4.47Å; W4-E203 HydrophobicContact CH2-CB 3.73Å; W4-E203 HydrophobicContact CH2-CG 3.96Å; W4-E203 HydrophobicContact CZ2-CB 3.69Å; W4-E203 HydrophobicContact CZ2-CG 3.69Å; W4-E203 HydrophobicContact CZ3-CB 4.25Å; W4-E203 HydrophobicContact CZ3-CG 4.18Å; W4-V227 HydrophobicContact CB-CG1 4.07Å; W4-E231 HydrophobicContact CD2-CB 4.12Å; W4-E231 HydrophobicContact CD2-CG 3.92Å; W4-E231 HydrophobicContact CE3-CB 3.94Å; W4-E231 HydrophobicContact CE3-CG 4.23Å; W4-E231 HydrophobicContact CG-CB 4.45Å; W4-E231 HydrophobicContact CG-CG 4.1Å; W4-E231 HydrophobicContact CZ3-CB 4.48Å; W4-E231 PolarHBondContact N-OE2 2.97Å; W4-E231 VanDerWaalsContact N-OE2 3.09Å; W4-C234 HydrophobicContact CH2-CB 3.67Å; W4-C234 HydrophobicContact CZ3-CB 4.06Å
5V88.1Confident84.2Confident26 Ų2680.3 Ų80.316%0.15841%0.413CS..Hα-helixtrans-55-39.1173.9-179.40000113.3F3 R224 V227 L228F3-V5 HydrophobicContact CB-CB 4.47Å; F3-V5 PolarHBondContact O-N 3.46Å; F3-V5 VanDerWaalsContact O-N 3.11Å; V5-R224 HydrophobicContact CG1-CG 4.06Å; V5-V227 HydrophobicContact CB-CG1 4.42Å; V5-V227 HydrophobicContact CG2-CB 3.98Å; V5-V227 HydrophobicContact CG2-CG1 3.73Å; V5-L228 HydrophobicContact CG2-CD2 3.57Å; V5-L228 HydrophobicContact CG2-CG 3.63Å
6D86.6Confident84.4Confident82 Ų8275.9 Ų75.944%0.43939%0.39SS..Hα-helixtrans-90.8-34.7-179.5-72.1-40000111.4F3 W4 R9F3-D6 PolarHBondContact O-N 3.09Å; W4-D6 VanDerWaalsContact C-N 3.29Å; W4-D6 PolarHBondContact O-N 3.09Å; D6-R9 PolarHBondContact O-N 3.39Å; D6-R9 IonicContact OD1-CZ 2.7Å; D6-R9 IonicContact OD1-NH1 3.64Å; D6-R9 PolarHBondContact OD1-NH1 3.22Å; D6-R9 IonicContact OD1-NH2 2.69Å; D6-R9 PolarHBondContact OD1-NH2 2.8Å
7K89Confident84.4Confident120 Ų12074.9 Ų74.952%0.52239%0.386SS..Hα-helixtrans-62.3-45.4177.9-173.1-179.5175.6-168.30112.2F3 W4 E203F3-K7 PolarHBondContact O-N 3.11Å; F3-K7 VanDerWaalsContact O-N 3.12Å; W4-K7 PolarHBondContact O-N 3.34Å; K7-E203 WeakPolarHBondContact CD-OE1 3.41Å; K7-E203 VanDerWaalsContact CE-OE1 3.25Å; K7-E203 WeakPolarHBondContact CE-OE1 3.16Å; K7-E203 VanDerWaalsContact NZ-CD 3.29Å; K7-E203 IonicContact NZ-OE1 3.2Å; K7-E203 PolarHBondContact NZ-OE1 3.27Å; K7-E203 IonicContact NZ-OE2 3.63Å; K7-E203 PolarHBondContact NZ-OE2 3.37Å
8H89Confident84.7Confident36 Ų3671.2 Ų71.217%0.16737%0.366CS..THydrogen-bonded Turntrans-92.74.2-176.9-67-66.2000114.2W4 P10 V199 K202 E203W4-H8 PolarHBondContact O-CD2 2.55Å; W4-H8 PolarHBondContact O-N 3.17Å; H8-P10 WeakPolarHBondContact O-CD 3.44Å; H8-V199 HydrophobicContact CB-CG2 4.02Å; H8-K202 WeakPolarHBondContact ND1-CD 3.03Å; H8-E203 IonicContact CD2-OE1 2.66Å; H8-E203 IonicContact CE1-OE1 2.74Å; H8-E203 PolarHBondContact CE1-OE1 3.4Å; H8-E203 VanDerWaalsContact CE1-OE1 3.32Å; H8-E203 IonicContact NE2-OE1 3.85Å; H8-E203 PolarHBondContact NE2-OE1 3.22Å
9R89.5Confident84.9Confident49 Ų4970.1 Ų70.119%0.18536%0.359CS..  trans-61.6126.3178.3-176.4174.9-65.915711.5110.4D6 K11 T50D6-R9 PolarHBondContact O-N 3.39Å; D6-R9 IonicContact OD1-CZ 2.7Å; D6-R9 IonicContact OD1-NH1 3.64Å; D6-R9 PolarHBondContact OD1-NH1 3.22Å; D6-R9 IonicContact OD1-NH2 2.69Å; D6-R9 PolarHBondContact OD1-NH2 2.8Å; R9-K11 PolarHBondContact O-N 2.58Å; R9-T50 HydrophobicContact CG-CG2 3.6Å
10P89.8Confident85.2Confident22 Ų2274.2 Ų74.214%0.14337%0.374CS..  trans-56134.7171.9-27.535000111.9H8 K15 L16 T50 C54H8-P10 WeakPolarHBondContact O-CD 3.44Å; P10-K15 HydrophobicContact CB-CB 4.39Å; P10-K15 WeakPolarHBondContact CB-O 3.45Å; P10-K15 WeakPolarHBondContact CG-O 3.31Å; P10-L16 HydrophobicContact CB-CD2 4.18Å; P10-L16 HydrophobicContact CG-CD2 4.46Å; P10-T50 HydrophobicContact CB-CG2 4.35Å; P10-C54 PolarHBondContact O-SG 3.38Å; P10-C54 VanDerWaalsContact O-SG 3.41Å
11K87.1Confident85.5Confident129 Ų12977.8 Ų77.856%0.56139%0.39SS*.  trans-100.9-21178.3-61.8-177-178.5177.40113.1R9 Q57R9-K11 PolarHBondContact O-N 2.58Å; K11-Q57 PolarHBondContact O-NE2 3.37Å; K11-Q57 PolarHBondContact O-OE1 3.12Å
12D89.3Confident87.5Confident43 Ų4367.9 Ų67.923%0.2334%0.341CS..SBendtrans-118.4147.3-176.5-53-53000110.1A14 K15 Q57D12-A14 PolarHBondContact O-N 2.76Å; D12-K15 HydrophobicContact CB-CB 4.42Å; D12-K15 HydrophobicContact CB-CD 4.25Å; D12-K15 HydrophobicContact CB-CG 4.23Å; D12-K15 PolarHBondContact O-N 3.23Å; D12-K15 WeakPolarHBondContact OD2-CD 3.27Å; D12-K15 VanDerWaalsContact OD2-CE 3.28Å; D12-K15 WeakPolarHBondContact OD2-CE 3.41Å; D12-K15 IonicContact OD2-NZ 3.06Å; D12-K15 PolarHBondContact OD2-NZ 2.98Å; D12-Q57 PolarHBondContact OD1-NE2 3.15Å
13L86.8Confident88.4Confident5 Ų564.8 Ų64.83%0.02632%0.315CS..G310 helixtrans-59.8-32.9176.3-73.7174.9000112K15 L16 L26 K27 C54 E58L13-K15 VanDerWaalsContact C-N 3.26Å; L13-K15 PolarHBondContact O-N 3.41Å; L13-L16 HydrophobicContact CD2-CD1 3.81Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-L26 HydrophobicContact CD1-CB 4.19Å; L13-L26 HydrophobicContact CD2-CB 4.36Å; L13-L26 HydrophobicContact CD2-CD1 4.26Å; L13-K27 HydrophobicContact CD1-CB 4.2Å; L13-C54 HydrophobicContact CD2-CB 3.53Å; L13-C54 HydrophobicContact CG-CB 3.8Å; L13-E58 HydrophobicContact CD1-CB 4.06Å; L13-E58 HydrophobicContact CD1-CG 4.18Å
14A86.7Confident88.8Confident87 Ų8761.3 Ų61.372%0.71931%0.309SS*.G310 helixtrans-70-21.1177.900000113.7D12D12-A14 PolarHBondContact O-N 2.76Å
15K87.9Confident88.9Confident134 Ų13467.9 Ų67.958%0.58333%0.334SS*.G310 helixtrans-96.811-179.7-66.7178.1-176.8152.80112.8P10 D12 L13P10-K15 HydrophobicContact CB-CB 4.39Å; P10-K15 WeakPolarHBondContact CB-O 3.45Å; P10-K15 WeakPolarHBondContact CG-O 3.31Å; D12-K15 HydrophobicContact CB-CB 4.42Å; D12-K15 HydrophobicContact CB-CD 4.25Å; D12-K15 HydrophobicContact CB-CG 4.23Å; D12-K15 PolarHBondContact O-N 3.23Å; D12-K15 WeakPolarHBondContact OD2-CD 3.27Å; D12-K15 VanDerWaalsContact OD2-CE 3.28Å; D12-K15 WeakPolarHBondContact OD2-CE 3.41Å; D12-K15 IonicContact OD2-NZ 3.06Å; D12-K15 PolarHBondContact OD2-NZ 2.98Å; L13-K15 VanDerWaalsContact C-N 3.26Å; L13-K15 PolarHBondContact O-N 3.41Å
16L88.4Confident89.1Confident11 Ų1166.9 Ų66.96%0.05833%0.328CS..  trans-70.9131.2175.8-74.1169000110.3P10 L13 A23 T50 R51P10-L16 HydrophobicContact CB-CD2 4.18Å; P10-L16 HydrophobicContact CG-CD2 4.46Å; L13-L16 HydrophobicContact CD2-CD1 3.81Å; L13-L16 PolarHBondContact O-N 3.41Å; L16-A23 HydrophobicContact CB-CB 4.46Å; L16-A23 HydrophobicContact CD1-CB 3.65Å; L16-T50 HydrophobicContact CD2-CG2 4.21Å; L16-R51 HydrophobicContact CD1-CG 4.07Å; L16-R51 HydrophobicContact CD2-CG 4.23Å
17D84.6Confident89.3Confident58 Ų5867.9 Ų67.931%0.3133%0.328SS..SBendtrans-75.6-29.2-171.3-48.3-61.4000113.2I195D17-I195 HydrophobicContact CB-CD1 3.69Å; D17-I195 HydrophobicContact CB-CG1 3.61Å
18Y88.9Confident89.4Confident9 Ų968.7 Ų68.74%0.03533%0.334CS..SBendtrans-141.1162.9-174.463.8-79.5000112.9A46 G47 R51 P187 I195 L223Y18-A46 PolarHBondContact OH-O 3.39Å; Y18-G47 WeakPolarHBondContact OH-CA 3.34Å; Y18-G47 PolarHBondContact OH-N 3.2Å; Y18-R51 VanDerWaalsContact CD2-NH2 3.25Å; Y18-R51 PolarHBondContact O-NH2 2.99Å; Y18-R51 PolarHBondContact OH-NH1 3.18Å; Y18-P187 HydrophobicContact CD1-CB 4.43Å; Y18-P187 HydrophobicContact CD2-CB 3.79Å; Y18-P187 HydrophobicContact CD2-CG 4.49Å; Y18-P187 HydrophobicContact CE2-CB 3.94Å; Y18-P187 HydrophobicContact CE2-CG 4.14Å; Y18-P187 HydrophobicContact CG-CB 4.07Å; Y18-I195 HydrophobicContact CD1-CD1 3.74Å; Y18-I195 HydrophobicContact CE1-CD1 4.21Å; Y18-L223 HydrophobicContact CE1-CD2 3.7Å
19H89.4Confident89.5Confident50 Ų5068.4 Ų68.423%0.23133%0.333CS..  trans52.952-171.1-58.1-43.5000112.9E21 M22 A23 A185H19-E21 VanDerWaalsContact C-N 3.28Å; H19-E21 PolarHBondContact O-N 2.9Å; H19-M22 HydrophobicContact CB-CB 4.22Å; H19-M22 HydrophobicContact CB-CE 4.27Å; H19-M22 WeakPolarHBondContact O-CB 3.43Å; H19-M22 PolarHBondContact O-N 2.9Å; H19-M22 VanDerWaalsContact O-N 3.12Å; H19-A23 PolarHBondContact O-N 3.05Å; H19-A185 PolarHBondContact NE2-O 3.38Å
20K89.6Confident89.5Confident152 Ų15266.5 Ų66.566%0.66133%0.327SS*.Hα-helixtrans-59.6-34.2-176.1-65.8-178.3-179175.10113.4M22 A23 A24K20-M22 VanDerWaalsContact C-N 3.35Å; K20-M22 PolarHBondContact O-N 3.24Å; K20-A23 WeakPolarHBondContact O-CB 3.31Å; K20-A23 PolarHBondContact O-N 3.27Å; K20-A24 PolarHBondContact O-N 3.32Å
21E91.5Very high89.5Confident149 Ų14969.5 Ų69.570%0.69635%0.354SS*.Hα-helixtrans-62.4-41.2175.7-63.5-174.1177.500112.4H19 A23 A24 R25H19-E21 VanDerWaalsContact C-N 3.28Å; H19-E21 PolarHBondContact O-N 2.9Å; E21-A23 VanDerWaalsContact C-N 3.34Å; E21-A24 PolarHBondContact O-N 3.46Å; E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.13Å
22M91Very high89.5Confident35 Ų3567 Ų6717%0.17236%0.357CS..Hα-helixtrans-66.8-38.5176.6-175-170-54.500111.1H19 K20 A24 R25 L26 I182 R183 V184H19-M22 HydrophobicContact CB-CB 4.22Å; H19-M22 HydrophobicContact CB-CE 4.27Å; H19-M22 WeakPolarHBondContact O-CB 3.43Å; H19-M22 PolarHBondContact O-N 2.9Å; H19-M22 VanDerWaalsContact O-N 3.12Å; K20-M22 VanDerWaalsContact C-N 3.35Å; K20-M22 PolarHBondContact O-N 3.24Å; M22-A24 VanDerWaalsContact C-N 3.33Å; M22-R25 PolarHBondContact O-N 3.4Å; M22-L26 WeakPolarHBondContact O-CB 3.49Å; M22-L26 WeakPolarHBondContact O-CG 3.17Å; M22-L26 PolarHBondContact O-N 3.44Å; M22-I182 HydrophobicContact CG-CG2 4.25Å; M22-I182 HydrophobicContact SD-CG2 3.92Å; M22-R183 WeakPolarHBondContact CE-O 3.36Å; M22-V184 HydrophobicContact SD-CG2 3.9Å
23A90.5Very high89Confident7 Ų767 Ų676%0.05837%0.367CS..Hα-helixtrans-61.4-42.1173.400000111.6L16 H19 K20 E21 L26 K27L16-A23 HydrophobicContact CB-CB 4.46Å; L16-A23 HydrophobicContact CD1-CB 3.65Å; H19-A23 PolarHBondContact O-N 3.05Å; K20-A23 WeakPolarHBondContact O-CB 3.31Å; K20-A23 PolarHBondContact O-N 3.27Å; E21-A23 VanDerWaalsContact C-N 3.34Å; A23-L26 PolarHBondContact O-N 3.1Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 PolarHBondContact O-N 2.92Å
24A91.8Very high88.9Confident50 Ų5072.1 Ų72.141%0.41339%0.394SS..Hα-helixtrans-63.8-43.5175.400000112.1K20 E21 M22 K27 Q28K20-A24 PolarHBondContact O-N 3.32Å; E21-A24 PolarHBondContact O-N 3.46Å; M22-A24 VanDerWaalsContact C-N 3.33Å; A24-K27 WeakPolarHBondContact O-CB 3.32Å; A24-K27 PolarHBondContact O-N 3.48Å; A24-Q28 WeakPolarHBondContact O-CG 3.47Å; A24-Q28 PolarHBondContact O-N 3.34Å
25R91.9Very high89.1Confident172 Ų17268 Ų6865%0.64936%0.36SS*.Hα-helixtrans-62.5-42.4174.6-70.4179.5-170.5-178.95.4112.4E21 M22 K27 Q28 L29E21-R25 WeakPolarHBondContact O-CG 3.4Å; E21-R25 PolarHBondContact O-N 3.13Å; M22-R25 PolarHBondContact O-N 3.4Å; R25-K27 VanDerWaalsContact C-N 3.31Å; R25-K27 PolarHBondContact O-N 3.32Å; R25-Q28 PolarHBondContact O-N 3.33Å; R25-L29 WeakPolarHBondContact O-CB 3.49Å; R25-L29 PolarHBondContact O-N 3.38Å
26L91.7Very high89.3Confident4 Ų463.6 Ų63.62%0.02135%0.345CS..Hα-helixtrans-60.8-41.7174.1-78.9172.3000111.3L13 M22 A23 L29 V30 L38 R51 I182L13-L26 HydrophobicContact CD1-CB 4.19Å; L13-L26 HydrophobicContact CD2-CB 4.36Å; L13-L26 HydrophobicContact CD2-CD1 4.26Å; M22-L26 WeakPolarHBondContact O-CB 3.49Å; M22-L26 WeakPolarHBondContact O-CG 3.17Å; M22-L26 PolarHBondContact O-N 3.44Å; A23-L26 PolarHBondContact O-N 3.1Å; L26-L29 PolarHBondContact O-N 3.36Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.19Å; L26-L38 HydrophobicContact CD2-CD1 4.39Å; L26-R51 HydrophobicContact CD1-CB 4.47Å; L26-I182 HydrophobicContact CD2-CD1 3.54Å
27K91.3Very high89.6Confident104 Ų10463.9 Ų63.945%0.45235%0.346SS..Hα-helixtrans-63.7-44.7176.4-169.6176-176.6178.40111.9L13 A23 A24 R25 L29 V30 A31 E58L13-K27 HydrophobicContact CD1-CB 4.2Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 PolarHBondContact O-N 2.92Å; A24-K27 WeakPolarHBondContact O-CB 3.32Å; A24-K27 PolarHBondContact O-N 3.48Å; R25-K27 VanDerWaalsContact C-N 3.31Å; R25-K27 PolarHBondContact O-N 3.32Å; K27-L29 VanDerWaalsContact C-N 3.35Å; K27-L29 PolarHBondContact O-N 3.35Å; K27-V30 PolarHBondContact O-N 2.86Å; K27-A31 WeakPolarHBondContact O-CB 3.38Å; K27-A31 PolarHBondContact O-N 3.12Å; K27-E58 WeakPolarHBondContact CE-OE1 3.47Å
28Q91.3Very high90.1Very high137 Ų13761.1 Ų61.164%0.6433%0.331SS*.Hα-helixtrans-61-42.5174.9-73.1173.2-14.100112A24 R25 V30 A31 A32A24-Q28 WeakPolarHBondContact O-CG 3.47Å; A24-Q28 PolarHBondContact O-N 3.34Å; R25-Q28 PolarHBondContact O-N 3.33Å; Q28-V30 VanDerWaalsContact C-N 3.32Å; Q28-V30 PolarHBondContact O-N 3.47Å; Q28-A31 PolarHBondContact O-N 3.31Å; Q28-A31 VanDerWaalsContact O-N 3.15Å; Q28-A32 PolarHBondContact O-N 2.9Å
29L91.6Very high90.5Very high29 Ų2960.7 Ų60.715%0.15233%0.33CS..Hα-helixtrans-63.3-38.2177.7-176153.9000111.8R25 L26 K27 F35 P36 L38 L180R25-L29 WeakPolarHBondContact O-CB 3.49Å; R25-L29 PolarHBondContact O-N 3.38Å; L26-L29 PolarHBondContact O-N 3.36Å; K27-L29 VanDerWaalsContact C-N 3.35Å; K27-L29 PolarHBondContact O-N 3.35Å; L29-F35 HydrophobicContact CD2-CD2 3.27Å; L29-F35 HydrophobicContact CD2-CE2 3.37Å; L29-F35 HydrophobicContact CD2-CG 4.25Å; L29-F35 HydrophobicContact CD2-CZ 4.42Å; L29-P36 HydrophobicContact CD1-CG 4.1Å; L29-P36 HydrophobicContact CD2-CG 4.47Å; L29-P36 HydrophobicContact CG-CG 4.47Å; L29-L38 HydrophobicContact CD1-CD2 4.09Å; L29-L38 HydrophobicContact CD2-CD2 4.45Å; L29-L180 HydrophobicContact CD1-CD2 3.28Å
30V89.3Confident90.8Very high10 Ų1058.4 Ų58.46%0.06132%0.319CS..Hα-helixtrans-67.5-38.8173.51720000111.6L26 K27 Q28 F35 T55 E58 L59 K127L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.19Å; K27-V30 PolarHBondContact O-N 2.86Å; Q28-V30 VanDerWaalsContact C-N 3.32Å; Q28-V30 PolarHBondContact O-N 3.47Å; V30-F35 HydrophobicContact CG2-CD2 4.42Å; V30-F35 HydrophobicContact CG2-CE2 4.25Å; V30-T55 HydrophobicContact CG2-CG2 3.82Å; V30-E58 HydrophobicContact CB-CG 4.23Å; V30-E58 HydrophobicContact CG1-CB 4.14Å; V30-E58 HydrophobicContact CG1-CG 3.76Å; V30-L59 HydrophobicContact CB-CD2 4.39Å; V30-L59 HydrophobicContact CG1-CD2 3.75Å; V30-L59 HydrophobicContact CG1-CG 3.98Å; V30-L59 HydrophobicContact CG2-CD2 4.1Å; V30-L59 HydrophobicContact CG2-CG 3.95Å; V30-K127 PolarHBondContact O-NZ 3.4Å
31A88.3Confident91.1Very high85 Ų8553.6 Ų53.670%0.70230%0.297SS*.Hα-helixtrans-70.7-29.6-18000000113.6K27 Q28 G33K27-A31 WeakPolarHBondContact O-CB 3.38Å; K27-A31 PolarHBondContact O-N 3.12Å; Q28-A31 PolarHBondContact O-N 3.31Å; Q28-A31 VanDerWaalsContact O-N 3.15Å; A31-G33 PolarHBondContact O-N 3.5Å
32A87.2Confident91.2Very high77 Ų7746.8 Ų46.864%0.63627%0.268SS*.THydrogen-bonded Turntrans-63-11.8-179.900000114.6Q28 D34Q28-A32 PolarHBondContact O-N 2.9Å; A32-D34 VanDerWaalsContact C-N 3.26Å; A32-D34 PolarHBondContact O-N 2.84Å; A32-D34 VanDerWaalsContact O-N 3.07Å
33G79.8Confident91.3Very high41 Ų4148 Ų4842%0.42328%0.278SS..SBendtrans85.4-48.2176.100000113.8A31 F35A31-G33 PolarHBondContact O-N 3.5Å; G33-F35 PolarHBondContact O-N 3.01Å
34D84.8Confident91.3Very high113 Ų11350.2 Ų50.260%0.60429%0.293SS*.  trans-8596.9175.7-171.321.1000111.4A32 P36 R160A32-D34 VanDerWaalsContact C-N 3.26Å; A32-D34 PolarHBondContact O-N 2.84Å; A32-D34 VanDerWaalsContact O-N 3.07Å; D34-P36 VanDerWaalsContact O-CD 3.24Å; D34-P36 WeakPolarHBondContact O-CD 3.42Å; D34-R160 IonicContact OD1-CZ 3.49Å; D34-R160 IonicContact OD1-NH1 3.11Å; D34-R160 IonicContact OD1-NH2 3.22Å; D34-R160 PolarHBondContact OD1-NH2 3.45Å
35F90.1Very high91.3Very high0 Ų048.4 Ų48.40%028%0.28CS..  trans-87.4110.4-177.9-173.1-94.6000110.7L29 V30 G33 L38 T55 L59 F129 R160 I162L29-F35 HydrophobicContact CD2-CD2 3.27Å; L29-F35 HydrophobicContact CD2-CE2 3.37Å; L29-F35 HydrophobicContact CD2-CG 4.25Å; L29-F35 HydrophobicContact CD2-CZ 4.42Å; V30-F35 HydrophobicContact CG2-CD2 4.42Å; V30-F35 HydrophobicContact CG2-CE2 4.25Å; G33-F35 PolarHBondContact O-N 3.01Å; F35-L38 HydrophobicContact CE1-CD1 4.21Å; F35-L38 HydrophobicContact CE1-CG 4.13Å; F35-L38 HydrophobicContact CE2-CD1 3.89Å; F35-L38 HydrophobicContact CE2-CG 4.43Å; F35-L38 HydrophobicContact CZ-CD1 3.37Å; F35-L38 HydrophobicContact CZ-CG 3.76Å; F35-T55 HydrophobicContact CE2-CG2 3.87Å; F35-T55 HydrophobicContact CZ-CG2 4.11Å; F35-L59 HydrophobicContact CD2-CD1 4.07Å; F35-L59 HydrophobicContact CD2-CD2 3.96Å; F35-L59 HydrophobicContact CE1-CD1 4.32Å; F35-L59 HydrophobicContact CE2-CD1 3.78Å; F35-L59 HydrophobicContact CE2-CD2 4.42Å; F35-L59 HydrophobicContact CE2-CG 4.48Å; F35-L59 HydrophobicContact CG-CD1 4.48Å; F35-L59 HydrophobicContact CG-CD2 4.35Å; F35-L59 HydrophobicContact CZ-CD1 3.9Å; F35-F129 HydrophobicContact CB-CE1 4.11Å; F35-F129 HydrophobicContact CB-CE2 4.16Å; F35-F129 HydrophobicContact CB-CZ 3.47Å; F35-F129 VanDerWaalsContact CB-CZ 3.47Å; F35-F129 HydrophobicContact CD1-CE2 4.14Å; F35-F129 HydrophobicContact CD1-CZ 4.29Å; F35-F129 HydrophobicContact CG-CE2 4.38Å; F35-F129 HydrophobicContact CG-CZ 4.09Å; F35-R160 HydrophobicContact CD1-CB 4Å; F35-R160 HydrophobicContact CD1-CG 4.25Å; F35-R160 HydrophobicContact CE1-CB 4.46Å; F35-R160 WeakPolarHBondContact O-CD 3.47Å; F35-R160 PolarHBondContact O-NE 3.47Å; F35-R160 PolarHBondContact O-NH1 3.23Å; F35-R160 VanDerWaalsContact O-NH1 3.15Å; F35-I162 HydrophobicContact CE1-CD1 4.22Å; F35-I162 HydrophobicContact CE1-CG1 4.18Å; F35-I162 HydrophobicContact CZ-CD1 3.99Å; F35-I162 HydrophobicContact CZ-CG1 4.3Å
36P92.7Very high91.3Very high43 Ų4340.3 Ų40.328%0.27925%0.249SC..  trans-70.7168.7177.930.4-37.2000112.3L29 D34 L38 L180L29-P36 HydrophobicContact CD1-CG 4.1Å; L29-P36 HydrophobicContact CD2-CG 4.47Å; L29-P36 HydrophobicContact CG-CG 4.47Å; D34-P36 VanDerWaalsContact O-CD 3.24Å; D34-P36 WeakPolarHBondContact O-CD 3.42Å; P36-L38 HydrophobicContact CG-CD2 4.15Å; P36-L180 HydrophobicContact CG-CB 4.33Å; P36-L180 HydrophobicContact CG-CD2 4.4Å
37H94.5Very high91.3Very high16 Ų1640.7 Ų40.77%0.07425%0.254CS..  trans-64136.8164.5-56.5-72.3000109.2M152 L161 C179 L180H37-M152 HydrophobicContact CB-CE 3.87Å; H37-L161 CarbonylContact C-O 3.58Å; H37-L161 VanDerWaalsContact CA-O 3.29Å; H37-L161 WeakPolarHBondContact CA-O 3.27Å; H37-L161 PolarHBondContact ND1-N 3.35Å; H37-C179 HydrophobicContact CB-CB 4.39Å; H37-C179 CarbonylContact O-C 3.48Å; H37-C179 VanDerWaalsContact O-CA 3.31Å; H37-C179 WeakPolarHBondContact O-CA 3.33Å; H37-L180 PolarHBondContact O-N 3.18Å
38L95.6Very high91.4Very high0 Ų036.7 Ų36.70%024%0.237CC..EExtended strand (participates in β ladder)trans-109.4141-179.6-60.5-172.7000110.7L26 L29 F35 P36 L161 I162 L163 L180 I182L26-L38 HydrophobicContact CD2-CD1 4.39Å; L29-L38 HydrophobicContact CD1-CD2 4.09Å; L29-L38 HydrophobicContact CD2-CD2 4.45Å; F35-L38 HydrophobicContact CE1-CD1 4.21Å; F35-L38 HydrophobicContact CE1-CG 4.13Å; F35-L38 HydrophobicContact CE2-CD1 3.89Å; F35-L38 HydrophobicContact CE2-CG 4.43Å; F35-L38 HydrophobicContact CZ-CD1 3.37Å; F35-L38 HydrophobicContact CZ-CG 3.76Å; P36-L38 HydrophobicContact CG-CD2 4.15Å; L38-L161 PolarHBondContact N-O 3.32Å; L38-I162 HydrophobicContact CB-CG1 4.3Å; L38-I162 HydrophobicContact CB-CG2 4.39Å; L38-I162 WeakPolarHBondContact O-CA 3.31Å; L38-L163 PolarHBondContact O-N 2.64Å; L38-L180 HydrophobicContact CD2-CB 3.93Å; L38-L180 HydrophobicContact CD2-CD2 4.02Å; L38-L180 HydrophobicContact CD2-CG 4.47Å; L38-I182 HydrophobicContact CD1-CD1 4.1Å; L38-I182 HydrophobicContact CD2-CD1 3.98Å
39L96Very high91.5Very high0 Ų035.2 Ų35.20%023%0.225CC..EExtended strand (participates in β ladder)trans-118.398.8168.3175.463.2000108.8L163 I168 Q176 C179 L180 P181 I182L39-L163 CarbonylContact C-O 3.6Å; L39-L163 HydrophobicContact CD1-CB 3.64Å; L39-L163 HydrophobicContact CD1-CD1 4.38Å; L39-I168 HydrophobicContact CD2-CD1 3.84Å; L39-I168 HydrophobicContact CD2-CG1 4.1Å; L39-Q176 HydrophobicContact CD2-CG 4.17Å; L39-C179 HydrophobicContact CB-CB 3.63Å; L39-L180 PolarHBondContact N-O 3.23Å; L39-P181 CarbonylContact O-C 3.51Å; L39-P181 WeakPolarHBondContact O-CA 3.22Å; L39-I182 PolarHBondContact O-N 3.01Å
40I96.1Very high91.6Very high2 Ų234.8 Ų34.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-95.1118.6-179.5-64.8166.4000109K48 I52 I162 L163 C164 C165 I182 V184I40-K48 HydrophobicContact CG2-CB 3.95Å; I40-K48 HydrophobicContact CG2-CD 4.38Å; I40-K48 HydrophobicContact CG2-CG 3.97Å; I40-I52 HydrophobicContact CD1-CD1 4.12Å; I40-I52 HydrophobicContact CD1-CG1 3.45Å; I40-I52 VanDerWaalsContact CD1-CG1 3.45Å; I40-I162 HydrophobicContact CD1-CG2 3.85Å; I40-L163 PolarHBondContact N-O 2.94Å; I40-C164 WeakPolarHBondContact O-CA 3.29Å; I40-C165 PolarHBondContact O-N 2.78Å; I40-C165 VanDerWaalsContact O-N 3.09Å; I40-I182 WeakPolarHBondContact CA-O 3.14Å; I40-I182 HydrophobicContact CG1-CB 4.08Å; I40-I182 HydrophobicContact CG1-CD1 4.48Å; I40-V184 HydrophobicContact CG2-CG2 3.73Å
41Y95.9Very high91.8Very high51 Ų5134.4 Ų34.420%0.222%0.221CC..EExtended strand (participates in β ladder)trans-134.8158.3-176.669.6-81.8000112.5C165 I168 P181 I182 R183 V184Y41-C165 WeakPolarHBondContact CA-O 3.39Å; Y41-C165 WeakPolarHBondContact CB-SG 3.36Å; Y41-I168 HydrophobicContact CD1-CD1 4.41Å; Y41-I168 HydrophobicContact CD2-CB 4.25Å; Y41-I168 HydrophobicContact CE1-CD1 4.19Å; Y41-I168 HydrophobicContact CE2-CB 4.46Å; Y41-I168 HydrophobicContact CE2-CG2 4.42Å; Y41-I168 HydrophobicContact CG-CB 4.39Å; Y41-P181 HydrophobicContact CE1-CB 3.96Å; Y41-I182 WeakPolarHBondContact CD1-O 3.44Å; Y41-I182 PolarHBondContact N-O 3.23Å; Y41-R183 HydrophobicContact CD2-CG 4.39Å; Y41-R183 HydrophobicContact CE1-CB 3.99Å; Y41-R183 HydrophobicContact CE2-CB 3.9Å; Y41-R183 HydrophobicContact CE2-CG 3.75Å; Y41-V184 PolarHBondContact O-N 3.48Å
42G93.9Very high92Very high7 Ų730.5 Ų30.57%0.07219%0.189CC..  trans151.9173.2-175.300000113.3K48 Q166 V184G42-K48 PolarHBondContact O-NZ 2.92Å; G42-Q166 CarbonylContact C-O 3.54Å; G42-Q166 PolarHBondContact N-O 3.23Å; G42-Q166 WeakPolarHBondContact O-CA 3.22Å; G42-Q166 VanDerWaalsContact O-O 3.11Å; G42-V184 WeakPolarHBondContact CA-O 3.36Å
43P92.9Very high92.3Very high61 Ų6129.8 Ų29.840%0.39617%0.172SC..  trans-62.3159.7-178.723.4-29.4000112.6A46 V184 A186P43-A46 HydrophobicContact CG-CB 4.06Å; P43-A46 WeakPolarHBondContact O-CB 3.34Å; P43-A46 PolarHBondContact O-N 2.9Å; P43-V184 WeakPolarHBondContact CD-O 3.49Å; P43-A186 HydrophobicContact CG-CB 3.77Å
44S91.4Very high92.9Very high52 Ų5227.9 Ų27.936%0.36415%0.152SC..THydrogen-bonded Turntrans-64.5141.6174.1-169.60000110.3A46S44-A46 VanDerWaalsContact C-N 3.29Å; S44-A46 PolarHBondContact O-N 3.33Å
45G90.7Very high93.3Very high13 Ų1322.5 Ų22.513%0.13412%0.124CC..THydrogen-bonded Turntrans82.6-7.7-178.800000116G47 N222 L223G45-G47 PolarHBondContact O-N 3.34Å; G45-N222 WeakPolarHBondContact CA-OD1 3.26Å; G45-L223 WeakPolarHBondContact O-CB 3.49Å
46A92.5Very high93.3Very high1 Ų122.6 Ų22.61%0.00812%0.124CC..SBendtrans-7516.817900000115Y18 P43 S44 K48 R51 V184Y18-A46 PolarHBondContact OH-O 3.39Å; P43-A46 HydrophobicContact CG-CB 4.06Å; P43-A46 WeakPolarHBondContact O-CB 3.34Å; P43-A46 PolarHBondContact O-N 2.9Å; S44-A46 VanDerWaalsContact C-N 3.29Å; S44-A46 PolarHBondContact O-N 3.33Å; A46-K48 PolarHBondContact O-N 2.97Å; A46-R51 PolarHBondContact O-NH1 3.42Å; A46-V184 HydrophobicContact CB-CG1 4.15Å; A46-V184 WeakPolarHBondContact O-CG1 3.28Å
47G92.2Very high93.2Very high13 Ų1322.3 Ų22.313%0.13412%0.119CC..SBendtrans75.218.3175.400000116.5Y18 G45 R49 T50 R51Y18-G47 WeakPolarHBondContact OH-CA 3.34Å; Y18-G47 PolarHBondContact OH-N 3.2Å; G45-G47 PolarHBondContact O-N 3.34Å; G47-R49 PolarHBondContact O-N 3.43Å; G47-T50 WeakPolarHBondContact O-CB 3.47Å; G47-T50 PolarHBondContact O-N 2.89Å; G47-R51 WeakPolarHBondContact O-CG 3.5Å; G47-R51 PolarHBondContact O-N 3.44Å
48K93.2Very high93Very high20 Ų2025.1 Ų25.19%0.08713%0.132CC..Hα-helixtrans-54-51.8176.6-63.2179.3-58.9-166.10112.7I40 G42 A46 T50 R51 I52 C165 V184I40-K48 HydrophobicContact CG2-CB 3.95Å; I40-K48 HydrophobicContact CG2-CD 4.38Å; I40-K48 HydrophobicContact CG2-CG 3.97Å; G42-K48 PolarHBondContact O-NZ 2.92Å; A46-K48 PolarHBondContact O-N 2.97Å; K48-T50 VanDerWaalsContact C-N 3.33Å; K48-T50 PolarHBondContact O-N 3.47Å; K48-R51 PolarHBondContact O-N 3.32Å; K48-I52 VanDerWaalsContact O-CG1 3.32Å; K48-I52 WeakPolarHBondContact O-CG1 3.31Å; K48-I52 PolarHBondContact O-N 3.28Å; K48-C165 PolarHBondContact NZ-O 3.25Å; K48-V184 HydrophobicContact CG-CB 3.97Å; K48-V184 HydrophobicContact CG-CG1 4.29Å; K48-V184 HydrophobicContact CG-CG2 4.16Å
49R92.6Very high92.7Very high105 Ų10525.6 Ų25.640%0.39614%0.135SC..Hα-helixtrans-62.6-39.2179.5-174.4174.2176.4163.3-2112.1G47 I52 Q53G47-R49 PolarHBondContact O-N 3.43Å; R49-I52 PolarHBondContact O-N 2.88Å; R49-Q53 WeakPolarHBondContact O-CB 3.41Å; R49-Q53 PolarHBondContact O-N 3.23Å
50T93Very high92.2Very high20 Ų2025.7 Ų25.712%0.12314%0.135CC..Hα-helixtrans-61.1-47.8175-52.20000110.8R9 P10 L16 G47 K48 I52 Q53 C54R9-T50 HydrophobicContact CG-CG2 3.6Å; P10-T50 HydrophobicContact CB-CG2 4.35Å; L16-T50 HydrophobicContact CD2-CG2 4.21Å; G47-T50 WeakPolarHBondContact O-CB 3.47Å; G47-T50 PolarHBondContact O-N 2.89Å; K48-T50 VanDerWaalsContact C-N 3.33Å; K48-T50 PolarHBondContact O-N 3.47Å; T50-I52 VanDerWaalsContact C-N 3.35Å; T50-I52 PolarHBondContact O-N 3.2Å; T50-Q53 PolarHBondContact O-N 2.83Å; T50-C54 PolarHBondContact O-N 3.36Å; T50-C54 PolarHBondContact O-SG 3.46Å
51R93.9Very high91.8Very high2 Ų226.5 Ų26.51%0.00814%0.144CC..Hα-helixtrans-60.6-42.8177-72.2179.117583.54.4112L16 Y18 L26 A46 G47 K48 Q53 C54 T55 V184L16-R51 HydrophobicContact CD1-CG 4.07Å; L16-R51 HydrophobicContact CD2-CG 4.23Å; Y18-R51 VanDerWaalsContact CD2-NH2 3.25Å; Y18-R51 PolarHBondContact O-NH2 2.99Å; Y18-R51 PolarHBondContact OH-NH1 3.18Å; L26-R51 HydrophobicContact CD1-CB 4.47Å; A46-R51 PolarHBondContact O-NH1 3.42Å; G47-R51 WeakPolarHBondContact O-CG 3.5Å; G47-R51 PolarHBondContact O-N 3.44Å; K48-R51 PolarHBondContact O-N 3.32Å; R51-Q53 PolarHBondContact O-N 3.46Å; R51-C54 PolarHBondContact O-N 3.18Å; R51-T55 WeakPolarHBondContact O-CB 3.18Å; R51-T55 PolarHBondContact O-N 3.17Å; R51-T55 PolarHBondContact O-OG1 3.27Å; R51-V184 VanDerWaalsContact NH1-CG1 3.33Å
52I93.8Very high91.2Very high4 Ų429.2 Ų29.22%0.02117%0.168CC..Hα-helixtrans-57.7-48.7174.2-66.3169.3000110.8I40 K48 R49 T50 C54 T55 L56 V133 I162 C164I40-I52 HydrophobicContact CD1-CD1 4.12Å; I40-I52 HydrophobicContact CD1-CG1 3.45Å; I40-I52 VanDerWaalsContact CD1-CG1 3.45Å; K48-I52 VanDerWaalsContact O-CG1 3.32Å; K48-I52 WeakPolarHBondContact O-CG1 3.31Å; K48-I52 PolarHBondContact O-N 3.28Å; R49-I52 PolarHBondContact O-N 2.88Å; T50-I52 VanDerWaalsContact C-N 3.35Å; T50-I52 PolarHBondContact O-N 3.2Å; I52-C54 PolarHBondContact O-N 3.04Å; I52-T55 PolarHBondContact O-N 2.88Å; I52-L56 HydrophobicContact CG2-CD1 4Å; I52-L56 HydrophobicContact CG2-CG 4.41Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.19Å; I52-L56 PolarHBondContact O-N 3.06Å; I52-V133 HydrophobicContact CD1-CG1 4.28Å; I52-V133 HydrophobicContact CG2-CG1 3.98Å; I52-V133 HydrophobicContact CG2-CG2 3.91Å; I52-I162 HydrophobicContact CD1-CG2 3.91Å; I52-I162 HydrophobicContact CG1-CG2 3.84Å; I52-I162 HydrophobicContact CG2-CD1 4.36Å; I52-I162 HydrophobicContact CG2-CG2 4.17Å; I52-C164 HydrophobicContact CD1-CB 3.85Å
53Q92.6Very high90.7Very high62 Ų6229.8 Ų29.829%0.2917%0.174SC..Hα-helixtrans-62.2-44.3179.7-173.8175.4-8.500111.9R49 T50 R51 T55 L56 Q57R49-Q53 WeakPolarHBondContact O-CB 3.41Å; R49-Q53 PolarHBondContact O-N 3.23Å; T50-Q53 PolarHBondContact O-N 2.83Å; R51-Q53 PolarHBondContact O-N 3.46Å; Q53-T55 VanDerWaalsContact C-N 3.34Å; Q53-T55 PolarHBondContact O-N 3.1Å; Q53-L56 PolarHBondContact O-N 2.65Å; Q53-Q57 WeakPolarHBondContact O-CB 3.33Å; Q53-Q57 PolarHBondContact O-N 3.13Å
54C92.7Very high90.2Very high0 Ų027.1 Ų27.10%016%0.157CC..Hα-helixtrans-62.4-39.7175.1-63.90000111.9P10 L13 T50 R51 I52 Q57 E58P10-C54 PolarHBondContact O-SG 3.38Å; P10-C54 VanDerWaalsContact O-SG 3.41Å; L13-C54 HydrophobicContact CD2-CB 3.53Å; L13-C54 HydrophobicContact CG-CB 3.8Å; T50-C54 PolarHBondContact O-N 3.36Å; T50-C54 PolarHBondContact O-SG 3.46Å; R51-C54 PolarHBondContact O-N 3.18Å; I52-C54 PolarHBondContact O-N 3.04Å; C54-Q57 PolarHBondContact O-N 3.36Å; C54-E58 PolarHBondContact O-N 3.13Å
55T92.5Very high89.8Confident0 Ų027.2 Ų27.20%016%0.161CC..Hα-helixtrans-64.6-40.6175.4-580000111.7V30 F35 R51 I52 Q53 Q57 E58 L59V30-T55 HydrophobicContact CG2-CG2 3.82Å; F35-T55 HydrophobicContact CE2-CG2 3.87Å; F35-T55 HydrophobicContact CZ-CG2 4.11Å; R51-T55 WeakPolarHBondContact O-CB 3.18Å; R51-T55 PolarHBondContact O-N 3.17Å; R51-T55 PolarHBondContact O-OG1 3.27Å; I52-T55 PolarHBondContact O-N 2.88Å; Q53-T55 VanDerWaalsContact C-N 3.34Å; Q53-T55 PolarHBondContact O-N 3.1Å; T55-Q57 VanDerWaalsContact C-N 3.35Å; T55-E58 PolarHBondContact O-N 3.14Å; T55-L59 HydrophobicContact CG2-CD1 4.14Å; T55-L59 WeakPolarHBondContact O-CB 3.45Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.4Å; T55-L59 PolarHBondContact O-N 3.33Å
56L91.7Very high89.5Confident3 Ų334.2 Ų34.22%0.01619%0.188CC..Hα-helixtrans-65.5-38.4175.4-69.8170.6000112.2I52 Q53 L59 Y60 A64 H92 V131 V133 I162I52-L56 HydrophobicContact CG2-CD1 4Å; I52-L56 HydrophobicContact CG2-CG 4.41Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.19Å; I52-L56 PolarHBondContact O-N 3.06Å; Q53-L56 PolarHBondContact O-N 2.65Å; L56-L59 PolarHBondContact O-N 2.88Å; L56-Y60 HydrophobicContact CD2-CE2 4.29Å; L56-Y60 PolarHBondContact O-N 3.49Å; L56-A64 HydrophobicContact CB-CB 4.46Å; L56-H92 HydrophobicContact CD2-CB 4.13Å; L56-V131 HydrophobicContact CD2-CB 3.86Å; L56-V131 HydrophobicContact CD2-CG1 3.67Å; L56-V131 HydrophobicContact CD2-CG2 4.25Å; L56-V133 HydrophobicContact CD1-CG2 4.03Å; L56-I162 HydrophobicContact CD2-CD1 4.35Å
57Q90.4Very high89.3Confident36 Ų3638 Ų3817%0.16821%0.207CC..Hα-helixtrans-67.4-37.9175.6-174.8167.6-33.100111.8K11 D12 Q53 C54 T55 L59 G61K11-Q57 PolarHBondContact O-NE2 3.37Å; K11-Q57 PolarHBondContact O-OE1 3.12Å; D12-Q57 PolarHBondContact OD1-NE2 3.15Å; Q53-Q57 WeakPolarHBondContact O-CB 3.33Å; Q53-Q57 PolarHBondContact O-N 3.13Å; C54-Q57 PolarHBondContact O-N 3.36Å; T55-Q57 VanDerWaalsContact C-N 3.35Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-G61 CarbonylContact O-C 3.51Å; Q57-G61 WeakPolarHBondContact O-CA 3.42Å; Q57-G61 PolarHBondContact O-N 3.33Å
58E89.6Confident89.3Confident76 Ų7646 Ų4636%0.35523%0.233SC..Hα-helixtrans-67.8-32.4172.9-162.377.3-176.300111.8L13 K27 V30 C54 T55L13-E58 HydrophobicContact CD1-CB 4.06Å; L13-E58 HydrophobicContact CD1-CG 4.18Å; K27-E58 WeakPolarHBondContact CE-OE1 3.47Å; V30-E58 HydrophobicContact CB-CG 4.23Å; V30-E58 HydrophobicContact CG1-CB 4.14Å; V30-E58 HydrophobicContact CG1-CG 3.76Å; C54-E58 PolarHBondContact O-N 3.13Å; T55-E58 PolarHBondContact O-N 3.14Å
59L88.5Confident89.1Confident9 Ų950.5 Ų50.55%0.04726%0.258CS..Hα-helixtrans-74.5-45.8-178.8-81.4166.8000114V30 F35 T55 L56 Q57 K127 F129 V131V30-L59 HydrophobicContact CB-CD2 4.39Å; V30-L59 HydrophobicContact CG1-CD2 3.75Å; V30-L59 HydrophobicContact CG1-CG 3.98Å; V30-L59 HydrophobicContact CG2-CD2 4.1Å; V30-L59 HydrophobicContact CG2-CG 3.95Å; F35-L59 HydrophobicContact CD2-CD1 4.07Å; F35-L59 HydrophobicContact CD2-CD2 3.96Å; F35-L59 HydrophobicContact CE1-CD1 4.32Å; F35-L59 HydrophobicContact CE2-CD1 3.78Å; F35-L59 HydrophobicContact CE2-CD2 4.42Å; F35-L59 HydrophobicContact CE2-CG 4.48Å; F35-L59 HydrophobicContact CG-CD1 4.48Å; F35-L59 HydrophobicContact CG-CD2 4.35Å; F35-L59 HydrophobicContact CZ-CD1 3.9Å; T55-L59 HydrophobicContact CG2-CD1 4.14Å; T55-L59 WeakPolarHBondContact O-CB 3.45Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.4Å; T55-L59 PolarHBondContact O-N 3.33Å; L56-L59 PolarHBondContact O-N 2.88Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; L59-K127 HydrophobicContact CD2-CD 3.78Å; L59-F129 HydrophobicContact CD2-CZ 4.33Å; L59-V131 HydrophobicContact CD1-CG2 4.41Å
60Y87.5Confident88.9Confident2 Ų249.6 Ų49.61%0.00826%0.261CS..Hα-helixtrans-118.55.5-171.6-56.5-72.4000113.2L56 Y91 Q126 F129 V131L56-Y60 HydrophobicContact CD2-CE2 4.29Å; L56-Y60 PolarHBondContact O-N 3.49Å; Y60-Y91 AromaticContact CD1-CD1 3.83Å; Y60-Y91 HydrophobicContact CD1-CD1 3.83Å; Y60-Y91 AromaticContact CD1-CG 3.76Å; Y60-Y91 HydrophobicContact CD1-CG 3.76Å; Y60-Y91 HydrophobicContact CD2-CG 4.33Å; Y60-Y91 HydrophobicContact CE1-CD1 4.35Å; Y60-Y91 HydrophobicContact CE1-CG 4.35Å; Y60-Y91 HydrophobicContact CG-CD1 4.26Å; Y60-Y91 HydrophobicContact CG-CD2 4.18Å; Y60-Y91 AromaticContact CG-CG 3.73Å; Y60-Y91 HydrophobicContact CG-CG 3.73Å; Y60-Q126 PolarHBondContact O-NE2 3.41Å; Y60-Q126 VanDerWaalsContact O-NE2 3.07Å; Y60-F129 PolarHBondContact OH-O 2.88Å; Y60-V131 HydrophobicContact CE2-CB 4.32Å; Y60-V131 HydrophobicContact CE2-CG2 3.97Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.26Å; Y60-V131 PolarHBondContact OH-N 3.41Å
61G86Confident88.6Confident20 Ų2057.3 Ų57.321%0.20629%0.288CS..G310 helixtrans69.7-163.5-176.200000113.5Q57 G63 A64Q57-G61 CarbonylContact O-C 3.51Å; Q57-G61 WeakPolarHBondContact O-CA 3.42Å; Q57-G61 PolarHBondContact O-N 3.33Å; G61-G63 PolarHBondContact O-N 3.31Å; G61-G63 VanDerWaalsContact O-N 3.11Å; G61-A64 WeakPolarHBondContact O-CB 3.24Å; G61-A64 PolarHBondContact O-N 3.33Å
62P84.4Confident88.1Confident107 Ų10758.2 Ų58.270%0.69529%0.294SS*.G310 helixtrans-65.5-17.4-174.826.9-35.1000113.6A64 A65P62-A64 PolarHBondContact O-N 2.88Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; P62-A65 PolarHBondContact O-N 3.4Å; P62-A65 VanDerWaalsContact O-N 3.1Å
63G82.5Confident87.6Confident19 Ų1962.1 Ų62.120%0.19632%0.322CS..G310 helixtrans-61-28175.500000113.3G61 A65 K66G61-G63 PolarHBondContact O-N 3.31Å; G61-G63 VanDerWaalsContact O-N 3.11Å; G63-A65 PolarHBondContact O-N 2.97Å; G63-K66 PolarHBondContact O-N 3Å
64A83.2Confident87.2Confident5 Ų560.1 Ų60.14%0.04131%0.312CS..G310 helixtrans-61.9-28.4174.500000113.1L56 G61 P62 K66 S89 H92L56-A64 HydrophobicContact CB-CB 4.46Å; G61-A64 WeakPolarHBondContact O-CB 3.24Å; G61-A64 PolarHBondContact O-N 3.33Å; P62-A64 PolarHBondContact O-N 2.88Å; A64-K66 PolarHBondContact O-N 2.96Å; A64-S89 PolarHBondContact O-OG 3.19Å; A64-H92 PolarHBondContact O-CE1 3.41Å
65A81.7Confident86.8Confident54 Ų5466.6 Ų66.645%0.44634%0.342SS..G310 helixtrans-73.6-14.2-178.500000113.2P62 G63 L67P62-A65 WeakPolarHBondContact O-CB 3.48Å; P62-A65 PolarHBondContact O-N 3.4Å; P62-A65 VanDerWaalsContact O-N 3.1Å; G63-A65 PolarHBondContact O-N 2.97Å; A65-L67 PolarHBondContact O-N 3.38Å
66K86Confident86.3Confident160 Ų16066.9 Ų66.970%0.69635%0.345SS*.  trans-79.6100.5175.1-64.4-176.5-178.9179.60108.8G63 A64 S89G63-K66 PolarHBondContact O-N 3Å; A64-K66 PolarHBondContact O-N 2.96Å; K66-S89 PolarHBondContact O-OG 2.84Å; K66-S89 VanDerWaalsContact O-OG 3.05Å
67L88.3Confident85.7Confident80 Ų8071.7 Ų71.742%0.41938%0.377SS..  trans-104.7142.5179.8-56.7173.8000110A65 I87 C88A65-L67 PolarHBondContact O-N 3.38Å; L67-I87 HydrophobicContact CB-CG2 3.94Å; L67-I87 HydrophobicContact CD1-CG2 3.99Å; L67-I87 HydrophobicContact CD2-CG2 4.03Å; L67-I87 HydrophobicContact CG-CG2 4.19Å; L67-C88 CarbonylContact C-O 3.52Å
68R91.1Very high85.3Confident182 Ų18273.8 Ų73.869%0.68740%0.395SS*.EExtended strand (participates in β ladder)trans-122.1138.3170.3-62.3-178.9-174.5160.71.1108C88R68-C88 PolarHBondContact N-O 3.16Å; R68-C88 PolarHBondContact O-N 3.04Å
69L90Very high84.9Confident114 Ų11472.8 Ų72.860%0.59741%0.405SS*.EExtended strand (participates in β ladder)trans-86.5119.8170.9-172.572.2000107.7N85 I87L69-N85 HydrophobicContact CD1-CB 4.14Å; L69-I87 HydrophobicContact CD1-CG1 4.14Å
70D88.1Confident84.7Confident86 Ų8678.4 Ų78.446%0.4643%0.429SS..EExtended strand (participates in β ladder)trans-113.8137.9176.3-1679.3000109.6L86D70-L86 PolarHBondContact N-O 3.05Å; D70-L86 PolarHBondContact O-N 2.84Å
71R86.6Confident84.6Confident183 Ų18385.4 Ų85.469%0.69146%0.46SS*.EExtended strand (participates in β ladder)trans-108.497.9178.8-70.3-171.7-179172.63.1108N85R71-N85 WeakPolarHBondContact CG-OD1 3.47Å
72S83.1Confident84.5Confident21 Ų2185.3 Ų85.315%0.14745%0.454CS..EExtended strand (participates in β ladder)trans-92.9126.7178.152.40000110.3F74 I84 L86S72-F74 WeakPolarHBondContact OG-CE2 3.48Å; S72-I84 PolarHBondContact N-O 3.29Å; S72-I84 PolarHBondContact O-N 2.85Å; S72-I84 VanDerWaalsContact O-N 3.09Å; S72-I84 VanDerWaalsContact OG-CG2 3.26Å; S72-I84 WeakPolarHBondContact OG-CG2 3.44Å; S72-I84 PolarHBondContact OG-O 3.01Å; S72-L86 VanDerWaalsContact OG-CD1 3.22Å; S72-L86 WeakPolarHBondContact OG-CD1 3.35Å; S72-L86 WeakPolarHBondContact OG-CG 3.47Å
73S84.6Confident84.5Confident85 Ų8587.7 Ų87.759%0.59446%0.456SS*.EExtended strand (participates in β ladder)trans-91.7128.6169.160.50000110.5L82S73-L82 CarbonylContact C-O 3.59Å; S73-L82 WeakPolarHBondContact CA-O 3.49Å
74F84Confident84.7Confident20 Ų2087 Ų879%0.08845%0.448CS..EExtended strand (participates in β ladder)trans-115.3147.6173.3-63.9-77.8000110.1S72 L82 I84 V107 E110 V111S72-F74 WeakPolarHBondContact OG-CE2 3.48Å; F74-L82 PolarHBondContact N-O 2.94Å; F74-L82 PolarHBondContact O-N 2.96Å; F74-I84 HydrophobicContact CD2-CG2 3.77Å; F74-I84 HydrophobicContact CE2-CG2 3.43Å; F74-I84 VanDerWaalsContact CE2-CG2 3.43Å; F74-V107 HydrophobicContact CB-CG2 4.42Å; F74-V107 HydrophobicContact CD2-CG1 4.14Å; F74-V107 HydrophobicContact CD2-CG2 4.04Å; F74-V107 HydrophobicContact CE2-CG1 3.97Å; F74-V107 HydrophobicContact CG-CG2 4.29Å; F74-E110 HydrophobicContact CD1-CB 4.07Å; F74-E110 HydrophobicContact CD1-CG 4.22Å; F74-E110 HydrophobicContact CE1-CB 3.89Å; F74-E110 HydrophobicContact CE1-CG 4.05Å; F74-V111 HydrophobicContact CE1-CG2 4.17Å; F74-V111 HydrophobicContact CE2-CG2 4.03Å; F74-V111 HydrophobicContact CZ-CG2 3.41Å; F74-V111 VanDerWaalsContact CZ-CG2 3.41Å
75E83.4Confident85Confident136 Ų13691 Ų9164%0.63647%0.468SS*.EExtended strand (participates in β ladder)trans-97.9124.4174.7-65.5-17416800110
76A81.2Confident85.3Confident7 Ų788.8 Ų88.86%0.05845%0.449CS..  trans-69158.6171.300000110.4S78 G79 K80 L82 Y103A76-S78 WeakPolarHBondContact CB-OG 3.31Å; A76-S78 PolarHBondContact O-N 3.2Å; A76-G79 PolarHBondContact O-N 3.24Å; A76-K80 HydrophobicContact CB-CB 4.15Å; A76-K80 VanDerWaalsContact CB-O 3.32Å; A76-K80 WeakPolarHBondContact CB-O 3.42Å; A76-K80 PolarHBondContact N-O 3.1Å; A76-L82 HydrophobicContact CB-CD1 3.89Å; A76-L82 HydrophobicContact CB-CG 4.4Å; A76-Y103 HydrophobicContact CB-CD1 3.8Å; A76-Y103 HydrophobicContact CB-CE1 3.74Å; A76-Y103 HydrophobicContact CB-CG 4.33Å
77P81Confident85.6Confident104 Ų10483.3 Ų83.368%0.67543%0.427SS*.THydrogen-bonded Turntrans-56.4-21.2171.1-24.534.6000113.5G79 V106P77-G79 VanDerWaalsContact C-N 3.34Å; P77-V106 HydrophobicContact CG-CG2 4.24Å
78S80.4Confident85.7Confident79 Ų7980.4 Ų80.455%0.55241%0.413SS*.THydrogen-bonded Turntrans-84.91175.254.40000114.4A76 K80 Y103A76-S78 WeakPolarHBondContact CB-OG 3.31Å; A76-S78 PolarHBondContact O-N 3.2Å; S78-K80 PolarHBondContact O-N 3.29Å; S78-Y103 PolarHBondContact OG-OH 3.06Å
79G82Confident85.5Confident55 Ų5572.5 Ų72.557%0.56739%0.386SS*.SBendtrans79.2-3-174.200000114.6A76 P77 K81A76-G79 PolarHBondContact O-N 3.24Å; P77-G79 VanDerWaalsContact C-N 3.34Å; G79-K81 PolarHBondContact O-N 3.1Å
80K83.8Confident85.2Confident128 Ų12871.6 Ų71.656%0.55738%0.382SS*.  trans-68.1125.6175.6-172.7177.2-178.9179.90110A76 S78 L82A76-K80 HydrophobicContact CB-CB 4.15Å; A76-K80 VanDerWaalsContact CB-O 3.32Å; A76-K80 WeakPolarHBondContact CB-O 3.42Å; A76-K80 PolarHBondContact N-O 3.1Å; S78-K80 PolarHBondContact O-N 3.29Å; K80-L82 HydrophobicContact CD-CD2 4.45Å
81K84.8Confident85.1Confident148 Ų14869.6 Ų69.664%0.64337%0.368SS*.EExtended strand (participates in β ladder)trans-74.1129.6171.2-64.9-173178.6-1750110.1G79G79-K81 PolarHBondContact O-N 3.1Å
82L84.3Confident85.3Confident18 Ų1861.1 Ų61.19%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-117.1123.8-178.9-60.5166.4000107.6S73 F74 A76 K80 V100 Y103S73-L82 CarbonylContact C-O 3.59Å; S73-L82 WeakPolarHBondContact CA-O 3.49Å; F74-L82 PolarHBondContact N-O 2.94Å; F74-L82 PolarHBondContact O-N 2.96Å; A76-L82 HydrophobicContact CB-CD1 3.89Å; A76-L82 HydrophobicContact CB-CG 4.4Å; K80-L82 HydrophobicContact CD-CD2 4.45Å; L82-V100 HydrophobicContact CB-CG1 3.88Å; L82-V100 HydrophobicContact CD1-CG1 3.7Å; L82-V100 HydrophobicContact CD2-CG1 3.81Å; L82-V100 HydrophobicContact CG-CG1 4Å; L82-Y103 HydrophobicContact CD1-CD1 4.41Å; L82-Y103 HydrophobicContact CD1-CD2 3.95Å; L82-Y103 HydrophobicContact CD1-CG 3.68Å; L82-Y103 HydrophobicContact CD2-CD2 3.89Å; L82-Y103 HydrophobicContact CD2-CE2 4.43Å; L82-Y103 HydrophobicContact CD2-CG 4.48Å
83E84.8Confident85.7Confident157 Ų15761.2 Ų61.273%0.73434%0.335SS*.EExtended strand (participates in β ladder)trans-103.7129.4176.1-65.4-17717900109.2
84I87.3Confident86.2Confident5 Ų558.1 Ų58.13%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-127.4139.9172.6-169.5176.2000109.4S72 F74 L86 V100 V107S72-I84 PolarHBondContact N-O 3.29Å; S72-I84 PolarHBondContact O-N 2.85Å; S72-I84 VanDerWaalsContact O-N 3.09Å; S72-I84 VanDerWaalsContact OG-CG2 3.26Å; S72-I84 WeakPolarHBondContact OG-CG2 3.44Å; S72-I84 PolarHBondContact OG-O 3.01Å; F74-I84 HydrophobicContact CD2-CG2 3.77Å; F74-I84 HydrophobicContact CE2-CG2 3.43Å; F74-I84 VanDerWaalsContact CE2-CG2 3.43Å; I84-L86 HydrophobicContact CD1-CD2 4.45Å; I84-L86 HydrophobicContact CG2-CD2 4.05Å; I84-L86 HydrophobicContact CG2-CG 4.3Å; I84-V100 HydrophobicContact CB-CG2 4.14Å; I84-V100 HydrophobicContact CD1-CG2 3.88Å; I84-V100 HydrophobicContact CG1-CG2 4.21Å; I84-V107 HydrophobicContact CD1-CG1 3.93Å; I84-V107 HydrophobicContact CG2-CG1 4.14Å
85N88.5Confident86.6Confident88 Ų8857.2 Ų57.247%0.47131%0.308SS..EExtended strand (participates in β ladder)trans-84.1115.6173.6-66.9-54.4000109L69 R71L69-N85 HydrophobicContact CD1-CB 4.14Å; R71-N85 WeakPolarHBondContact CG-OD1 3.47Å
86L89Confident87Confident9 Ų952.2 Ų52.25%0.04729%0.286CS..EExtended strand (participates in β ladder)trans-100.5134.7172.8-56.6179.6000108.9D70 S72 I84 I93 M95 V111D70-L86 PolarHBondContact N-O 3.05Å; D70-L86 PolarHBondContact O-N 2.84Å; S72-L86 VanDerWaalsContact OG-CD1 3.22Å; S72-L86 WeakPolarHBondContact OG-CD1 3.35Å; S72-L86 WeakPolarHBondContact OG-CG 3.47Å; I84-L86 HydrophobicContact CD1-CD2 4.45Å; I84-L86 HydrophobicContact CG2-CD2 4.05Å; I84-L86 HydrophobicContact CG2-CG 4.3Å; L86-I93 HydrophobicContact CB-CG2 4.28Å; L86-I93 HydrophobicContact CD2-CG2 4.48Å; L86-M95 HydrophobicContact CD2-CB 3.54Å; L86-M95 HydrophobicContact CD2-CG 4.45Å; L86-M95 HydrophobicContact CD2-SD 4.11Å; L86-V111 HydrophobicContact CD1-CG2 4.33Å; L86-V111 HydrophobicContact CD2-CG2 4.5Å
87I91.7Very high87.3Confident45 Ų4551.9 Ų51.923%0.23128%0.283CS..EExtended strand (participates in β ladder)trans-99.5104.4171-57.1171.8000106.7L67 L69 I94L67-I87 HydrophobicContact CB-CG2 3.94Å; L67-I87 HydrophobicContact CD1-CG2 3.99Å; L67-I87 HydrophobicContact CD2-CG2 4.03Å; L67-I87 HydrophobicContact CG-CG2 4.19Å; L69-I87 HydrophobicContact CD1-CG1 4.14Å; I87-I94 HydrophobicContact CB-CB 4.18Å; I87-I94 PolarHBondContact N-O 2.89Å; I87-I94 PolarHBondContact O-N 3.49Å
88C89.4Confident87.5Confident19 Ų1948 Ų4813%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-105.1137-172.4-61.70000111L67 R68 I93L67-C88 CarbonylContact C-O 3.52Å; R68-C88 PolarHBondContact N-O 3.16Å; R68-C88 PolarHBondContact O-N 3.04Å; C88-I93 HydrophobicContact CB-CG1 4.33Å
89S87.2Confident87.7Confident15 Ų1549.9 Ų49.911%0.10526%0.263CS..  trans-115.2170.7162.3-171.40000108.4A64 K66 Y91 H92A64-S89 PolarHBondContact O-OG 3.19Å; K66-S89 PolarHBondContact O-OG 2.84Å; K66-S89 VanDerWaalsContact O-OG 3.05Å; S89-Y91 PolarHBondContact O-N 3.1Å; S89-Y91 VanDerWaalsContact O-N 3.13Å; S89-H92 VanDerWaalsContact CB-CE1 3.41Å; S89-H92 WeakPolarHBondContact CB-CE1 3.47Å; S89-H92 PolarHBondContact N-O 2.94Å
90N84.4Confident87.8Confident96 Ų9648.1 Ų48.151%0.51324%0.241SC..SBendtrans-59.7-25.4174.4-66.2-9.6000112.2
91Y86.4Confident87.7Confident44 Ų4444 Ų4417%0.17324%0.235CC..SBendtrans-112.9-20.8-172-48.2-72.1000114.7Y60 S89 Q126 K130 V131Y60-Y91 AromaticContact CD1-CD1 3.83Å; Y60-Y91 HydrophobicContact CD1-CD1 3.83Å; Y60-Y91 AromaticContact CD1-CG 3.76Å; Y60-Y91 HydrophobicContact CD1-CG 3.76Å; Y60-Y91 HydrophobicContact CD2-CG 4.33Å; Y60-Y91 HydrophobicContact CE1-CD1 4.35Å; Y60-Y91 HydrophobicContact CE1-CG 4.35Å; Y60-Y91 HydrophobicContact CG-CD1 4.26Å; Y60-Y91 HydrophobicContact CG-CD2 4.18Å; Y60-Y91 AromaticContact CG-CG 3.73Å; Y60-Y91 HydrophobicContact CG-CG 3.73Å; S89-Y91 PolarHBondContact O-N 3.1Å; S89-Y91 VanDerWaalsContact O-N 3.13Å; Y91-Q126 PolarHBondContact OH-OE1 3.03Å; Y91-K130 WeakPolarHBondContact O-CA 3.36Å; Y91-V131 PolarHBondContact O-N 2.88Å; Y91-V131 VanDerWaalsContact O-N 3.15Å
92H90.4Very high87.7Confident5 Ų543.9 Ų43.92%0.02324%0.24CC..EExtended strand (participates in β ladder)trans-149.5156.4-174.568.3-92.6000112.8L56 A64 S89 V131L56-H92 HydrophobicContact CD2-CB 4.13Å; A64-H92 PolarHBondContact O-CE1 3.41Å; S89-H92 VanDerWaalsContact CB-CE1 3.41Å; S89-H92 WeakPolarHBondContact CB-CE1 3.47Å; S89-H92 PolarHBondContact N-O 2.94Å; H92-V131 CarbonylContact C-O 3.57Å; H92-V131 WeakPolarHBondContact CA-O 3.4Å; H92-V131 HydrophobicContact CB-CB 4.02Å; H92-V131 WeakPolarHBondContact CB-O 3.24Å
93I92.2Very high87.8Confident23 Ų2346.6 Ų46.612%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-123.2136.2173.1-62.1-171.9000108.8L86 C88 M115 V131 I132 V133L86-I93 HydrophobicContact CB-CG2 4.28Å; L86-I93 HydrophobicContact CD2-CG2 4.48Å; C88-I93 HydrophobicContact CB-CG1 4.33Å; I93-M115 HydrophobicContact CB-CE 4.07Å; I93-M115 HydrophobicContact CB-SD 3.73Å; I93-M115 HydrophobicContact CD1-CE 3.75Å; I93-M115 HydrophobicContact CD1-CG 3.64Å; I93-M115 HydrophobicContact CD1-SD 3.29Å; I93-M115 WeakPolarHBondContact CD1-SD 3Å; I93-M115 HydrophobicContact CG1-CE 3.56Å; I93-M115 HydrophobicContact CG1-CG 4.49Å; I93-M115 HydrophobicContact CG1-SD 3.56Å; I93-M115 VanDerWaalsContact CG1-SD 3.56Å; I93-V131 PolarHBondContact N-O 3.49Å; I93-I132 WeakPolarHBondContact O-CA 3.45Å; I93-V133 PolarHBondContact O-N 3.44Å
94I93.8Very high88Confident19 Ų1939.2 Ų39.210%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-111.8127172.9-48177.2000107.7I87 V133 L135I87-I94 HydrophobicContact CB-CB 4.18Å; I87-I94 PolarHBondContact N-O 2.89Å; I87-I94 PolarHBondContact O-N 3.49Å; I94-V133 WeakPolarHBondContact CA-O 3.28Å; I94-V133 HydrophobicContact CB-CB 4.26Å; I94-V133 HydrophobicContact CG1-CB 4.01Å; I94-V133 HydrophobicContact CG1-CG2 4.15Å; I94-V133 HydrophobicContact CG2-CB 4.14Å; I94-V133 HydrophobicContact CG2-CG1 4.18Å; I94-L135 HydrophobicContact CG2-CD1 3.71Å; I94-L135 HydrophobicContact CG2-CD2 4.41Å; I94-L135 HydrophobicContact CG2-CG 3.91Å
95M92.2Very high88.1Confident2 Ų243.2 Ų43.21%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-140.2151.2177.766.2172.617800112.8L86 P97 V108 V111 I132 V133 L134 L135L86-M95 HydrophobicContact CD2-CB 3.54Å; L86-M95 HydrophobicContact CD2-CG 4.45Å; L86-M95 HydrophobicContact CD2-SD 4.11Å; M95-P97 WeakPolarHBondContact O-CD 3.49Å; M95-V108 HydrophobicContact CE-CG2 4.25Å; M95-V111 HydrophobicContact CE-CB 4Å; M95-V111 HydrophobicContact CE-CG1 3.95Å; M95-V111 HydrophobicContact CE-CG2 4.46Å; M95-V111 HydrophobicContact SD-CB 4.06Å; M95-V111 HydrophobicContact SD-CG1 3.84Å; M95-V111 HydrophobicContact SD-CG2 3.97Å; M95-I132 HydrophobicContact CE-CG2 4.43Å; M95-V133 PolarHBondContact N-O 3.08Å; M95-L134 HydrophobicContact CE-CD2 3.15Å; M95-L134 HydrophobicContact CG-CD2 3.52Å; M95-L134 HydrophobicContact SD-CD2 4.11Å; M95-L135 PolarHBondContact O-N 3.43Å
96T92.4Very high88.1Confident30 Ų3040.5 Ų40.518%0.18422%0.216CC..  trans-112.485.8171.7-520000108S98 D99T96-S98 PolarHBondContact O-N 3.4Å; T96-S98 VanDerWaalsContact O-N 3.13Å; T96-D99 PolarHBondContact O-N 3.37Å
97P87.7Confident88.1Confident0 Ų040 Ų400%021%0.213CC..G310 helixtrans-64.3-19.4-175.526.8-35.6000113.2M95 D99 V100 V108 L140M95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-D99 PolarHBondContact O-N 2.93Å; P97-V100 PolarHBondContact O-N 3.12Å; P97-V108 HydrophobicContact CB-CG2 3.71Å; P97-V108 HydrophobicContact CG-CG2 4.18Å; P97-L140 HydrophobicContact CB-CD2 3.78Å; P97-L140 HydrophobicContact CG-CD1 4.24Å; P97-L140 HydrophobicContact CG-CD2 3.52Å; P97-L140 HydrophobicContact CG-CG 4.16Å
98S83.8Confident87.9Confident23 Ų2337.9 Ų37.916%0.16120%0.202CC..G310 helixtrans-64.1-20179.7-48.70000113.8T96 V100 G101 E136T96-S98 PolarHBondContact O-N 3.4Å; T96-S98 VanDerWaalsContact O-N 3.13Å; S98-V100 PolarHBondContact O-N 3.01Å; S98-G101 PolarHBondContact O-N 3.29Å; S98-E136 PolarHBondContact OG-O 3.29Å
99D84.8Confident87.9Confident119 Ų11939.8 Ų39.864%0.63621%0.209SC*.G310 helixtrans-68.3-18.6179.9-64-15.6000112.3T96 P97T96-D99 PolarHBondContact O-N 3.37Å; P97-D99 PolarHBondContact O-N 2.93Å
100V84.1Confident87.9Confident18 Ų1842.2 Ų42.211%0.10922%0.219CC..G310 helixtrans-95.92.1-176.4-1580000112.2L82 I84 P97 S98 I102 Y103 V107L82-V100 HydrophobicContact CB-CG1 3.88Å; L82-V100 HydrophobicContact CD1-CG1 3.7Å; L82-V100 HydrophobicContact CD2-CG1 3.81Å; L82-V100 HydrophobicContact CG-CG1 4Å; I84-V100 HydrophobicContact CB-CG2 4.14Å; I84-V100 HydrophobicContact CD1-CG2 3.88Å; I84-V100 HydrophobicContact CG1-CG2 4.21Å; P97-V100 PolarHBondContact O-N 3.12Å; S98-V100 PolarHBondContact O-N 3.01Å; V100-I102 PolarHBondContact O-N 3.36Å; V100-Y103 PolarHBondContact O-N 2.92Å; V100-V107 HydrophobicContact CB-CG2 4.41Å; V100-V107 HydrophobicContact CG1-CG2 4.14Å; V100-V107 HydrophobicContact CG2-CG2 4.19Å
101G83.2Confident88.1Confident41 Ų4137.9 Ų37.942%0.42320%0.196SC..G310 helixtrans61.1-125.6178.600000112.7S98 Y103 D104S98-G101 PolarHBondContact O-N 3.29Å; G101-Y103 PolarHBondContact O-N 3.07Å; G101-D104 WeakPolarHBondContact O-CB 3.3Å; G101-D104 PolarHBondContact O-N 3.11Å
102I84Confident88.2Confident146 Ų14635.8 Ų35.875%0.74919%0.188SC*.G310 helixtrans-68.6-19-172.7-54.7168.7000112.6V100 D104V100-I102 PolarHBondContact O-N 3.36Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-D104 PolarHBondContact O-N 2.87Å
103Y86.2Confident88.1Confident75 Ų7539.1 Ų39.129%0.29420%0.202SC..G310 helixtrans-89.99.2-178.1-56.3-74.1000113.7A76 S78 L82 V100 G101 R105 V106 V107A76-Y103 HydrophobicContact CB-CD1 3.8Å; A76-Y103 HydrophobicContact CB-CE1 3.74Å; A76-Y103 HydrophobicContact CB-CG 4.33Å; S78-Y103 PolarHBondContact OG-OH 3.06Å; L82-Y103 HydrophobicContact CD1-CD1 4.41Å; L82-Y103 HydrophobicContact CD1-CD2 3.95Å; L82-Y103 HydrophobicContact CD1-CG 3.68Å; L82-Y103 HydrophobicContact CD2-CD2 3.89Å; L82-Y103 HydrophobicContact CD2-CE2 4.43Å; L82-Y103 HydrophobicContact CD2-CG 4.48Å; V100-Y103 PolarHBondContact O-N 2.92Å; G101-Y103 PolarHBondContact O-N 3.07Å; Y103-R105 PolarHBondContact O-N 2.94Å; Y103-R105 VanDerWaalsContact O-N 3.16Å; Y103-V106 PolarHBondContact O-N 2.95Å; Y103-V106 VanDerWaalsContact O-N 3.1Å; Y103-V107 PolarHBondContact O-N 3.28Å
104D89Confident87.9Confident1 Ų141.2 Ų41.21%0.00521%0.213CC..Hα-helixtrans-50.9-36.3176.861.4-9.6000113.1G101 I102 V106 V107 V108 L140 T141 A144G101-D104 WeakPolarHBondContact O-CB 3.3Å; G101-D104 PolarHBondContact O-N 3.11Å; I102-D104 VanDerWaalsContact C-N 3.28Å; I102-D104 PolarHBondContact O-N 2.87Å; D104-V106 VanDerWaalsContact C-N 3.34Å; D104-V106 PolarHBondContact O-N 2.78Å; D104-V107 PolarHBondContact O-N 3.42Å; D104-V108 WeakPolarHBondContact O-CB 3.44Å; D104-V108 VanDerWaalsContact O-CG2 3.26Å; D104-V108 WeakPolarHBondContact O-CG2 3.18Å; D104-V108 PolarHBondContact O-N 3.31Å; D104-L140 HydrophobicContact CB-CD2 3.75Å; D104-L140 WeakPolarHBondContact OD2-CD2 3.46Å; D104-T141 PolarHBondContact OD1-OG1 2.87Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.43Å; D104-T141 PolarHBondContact OD2-N 3.13Å; D104-T141 PolarHBondContact OD2-OG1 2.94Å; D104-T141 VanDerWaalsContact OD2-OG1 3.06Å; D104-A144 HydrophobicContact CB-CB 4.22Å; D104-A144 WeakPolarHBondContact OD1-CB 3.49Å; D104-A144 VanDerWaalsContact OD2-CB 3.29Å; D104-A144 WeakPolarHBondContact OD2-CB 3.43Å
105R89.9Confident87.4Confident90 Ų9040.9 Ų40.934%0.3421%0.212SC..Hα-helixtrans-55-46.1176.7-174.4-179.970.981.1-8.6113Y103 Q109 A144 A147Y103-R105 PolarHBondContact O-N 2.94Å; Y103-R105 VanDerWaalsContact O-N 3.16Å; R105-Q109 VanDerWaalsContact NH1-OE1 3.12Å; R105-Q109 WeakPolarHBondContact O-CG 3.37Å; R105-Q109 PolarHBondContact O-N 3.28Å; R105-A144 HydrophobicContact CB-CB 4.2Å; R105-A147 HydrophobicContact CG-CB 3.77Å
106V88.6Confident86.9Confident30 Ų3041.5 Ų41.518%0.18222%0.217CC..Hα-helixtrans-71.2-45-174.4178.50000109.9P77 Y103 D104 V108 Q109 E110P77-V106 HydrophobicContact CG-CG2 4.24Å; Y103-V106 PolarHBondContact O-N 2.95Å; Y103-V106 VanDerWaalsContact O-N 3.1Å; D104-V106 VanDerWaalsContact C-N 3.34Å; D104-V106 PolarHBondContact O-N 2.78Å; V106-V108 PolarHBondContact O-N 3.26Å; V106-Q109 PolarHBondContact O-N 3.38Å; V106-E110 PolarHBondContact O-N 2.85Å
107V88.5Confident86.5Confident0 Ų046.3 Ų46.30%024%0.238CC..Hα-helixtrans-61.4-46.9179.5178.90000110.8F74 I84 V100 Y103 D104 Q109 E110 V111F74-V107 HydrophobicContact CB-CG2 4.42Å; F74-V107 HydrophobicContact CD2-CG1 4.14Å; F74-V107 HydrophobicContact CD2-CG2 4.04Å; F74-V107 HydrophobicContact CE2-CG1 3.97Å; F74-V107 HydrophobicContact CG-CG2 4.29Å; I84-V107 HydrophobicContact CD1-CG1 3.93Å; I84-V107 HydrophobicContact CG2-CG1 4.14Å; V100-V107 HydrophobicContact CB-CG2 4.41Å; V100-V107 HydrophobicContact CG1-CG2 4.14Å; V100-V107 HydrophobicContact CG2-CG2 4.19Å; Y103-V107 PolarHBondContact O-N 3.28Å; D104-V107 PolarHBondContact O-N 3.42Å; V107-Q109 VanDerWaalsContact C-N 3.33Å; V107-Q109 PolarHBondContact O-N 3Å; V107-E110 PolarHBondContact O-N 2.79Å; V107-V111 HydrophobicContact CG1-CG2 4.13Å; V107-V111 WeakPolarHBondContact O-CB 3.33Å; V107-V111 WeakPolarHBondContact O-CG2 3.48Å; V107-V111 PolarHBondContact O-N 3.24Å
108V88.1Confident86.1Confident0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-60.8-43.4179172.20000111.3M95 P97 D104 V106 I112 L148M95-V108 HydrophobicContact CE-CG2 4.25Å; P97-V108 HydrophobicContact CB-CG2 3.71Å; P97-V108 HydrophobicContact CG-CG2 4.18Å; D104-V108 WeakPolarHBondContact O-CB 3.44Å; D104-V108 VanDerWaalsContact O-CG2 3.26Å; D104-V108 WeakPolarHBondContact O-CG2 3.18Å; D104-V108 PolarHBondContact O-N 3.31Å; V106-V108 PolarHBondContact O-N 3.26Å; V108-I112 HydrophobicContact CG1-CD1 3.73Å; V108-I112 WeakPolarHBondContact O-CB 3.4Å; V108-I112 WeakPolarHBondContact O-CD1 3.37Å; V108-I112 WeakPolarHBondContact O-CG1 3.49Å; V108-I112 PolarHBondContact O-N 3.33Å; V108-L148 HydrophobicContact CG1-CB 4.29Å; V108-L148 HydrophobicContact CG1-CD1 3.9Å
109Q88.5Confident85.2Confident58 Ų5856.2 Ų56.227%0.27129%0.286SS..Hα-helixtrans-66.8-46.3179.9-74-177.5-35.700112.5R105 V106 V107 K113 A147 T151R105-Q109 VanDerWaalsContact NH1-OE1 3.12Å; R105-Q109 WeakPolarHBondContact O-CG 3.37Å; R105-Q109 PolarHBondContact O-N 3.28Å; V106-Q109 PolarHBondContact O-N 3.38Å; V107-Q109 VanDerWaalsContact C-N 3.33Å; V107-Q109 PolarHBondContact O-N 3Å; Q109-K113 VanDerWaalsContact O-CB 3.24Å; Q109-K113 WeakPolarHBondContact O-CB 3.49Å; Q109-K113 PolarHBondContact O-N 3.03Å; Q109-A147 HydrophobicContact CG-CB 3.99Å; Q109-T151 HydrophobicContact CG-CG2 4.19Å
110E88.2Confident84.1Confident66 Ų6652.9 Ų52.931%0.30827%0.272SS..Hα-helixtrans-73.8-39.1-174.3-157.562.2-16000111.8F74 V106 V107 I112 K113 N114F74-E110 HydrophobicContact CD1-CB 4.07Å; F74-E110 HydrophobicContact CD1-CG 4.22Å; F74-E110 HydrophobicContact CE1-CB 3.89Å; F74-E110 HydrophobicContact CE1-CG 4.05Å; V106-E110 PolarHBondContact O-N 2.85Å; V107-E110 PolarHBondContact O-N 2.79Å; E110-I112 PolarHBondContact O-N 3.22Å; E110-K113 PolarHBondContact O-N 3.39Å; E110-K113 IonicContact OE1-NZ 2.57Å; E110-K113 PolarHBondContact OE1-NZ 3.46Å; E110-K113 VanDerWaalsContact OE1-NZ 3.11Å; E110-K113 IonicContact OE2-NZ 3.26Å; E110-K113 PolarHBondContact OE2-NZ 3.49Å; E110-N114 WeakPolarHBondContact O-CB 3.48Å; E110-N114 PolarHBondContact O-N 3.49Å; E110-N114 PolarHBondContact O-ND2 2.79Å
111V88.4Confident82.9Confident5 Ų560.5 Ų60.53%0.0331%0.311CS..Hα-helixtrans-60.8-47.6174.41740000110.8F74 L86 M95 V107 K113 N114 M115F74-V111 HydrophobicContact CE1-CG2 4.17Å; F74-V111 HydrophobicContact CE2-CG2 4.03Å; F74-V111 HydrophobicContact CZ-CG2 3.41Å; F74-V111 VanDerWaalsContact CZ-CG2 3.41Å; L86-V111 HydrophobicContact CD1-CG2 4.33Å; L86-V111 HydrophobicContact CD2-CG2 4.5Å; M95-V111 HydrophobicContact CE-CB 4Å; M95-V111 HydrophobicContact CE-CG1 3.95Å; M95-V111 HydrophobicContact CE-CG2 4.46Å; M95-V111 HydrophobicContact SD-CB 4.06Å; M95-V111 HydrophobicContact SD-CG1 3.84Å; M95-V111 HydrophobicContact SD-CG2 3.97Å; V107-V111 HydrophobicContact CG1-CG2 4.13Å; V107-V111 WeakPolarHBondContact O-CB 3.33Å; V107-V111 WeakPolarHBondContact O-CG2 3.48Å; V107-V111 PolarHBondContact O-N 3.24Å; V111-K113 VanDerWaalsContact C-N 3.3Å; V111-K113 PolarHBondContact O-N 2.96Å; V111-N114 PolarHBondContact O-N 3.22Å; V111-M115 HydrophobicContact CG1-SD 4.41Å; V111-M115 WeakPolarHBondContact O-CB 3.46Å; V111-M115 VanDerWaalsContact O-CG 3.32Å; V111-M115 WeakPolarHBondContact O-CG 3.32Å; V111-M115 PolarHBondContact O-N 3.23Å
112I88.8Confident81.6Confident0 Ų065.2 Ų65.20%032%0.322CS..Hα-helixtrans-63.9-39.6180-65.7170.6000110.5V108 E110 M115 A116 I132 L148 T151 Y155V108-I112 HydrophobicContact CG1-CD1 3.73Å; V108-I112 WeakPolarHBondContact O-CB 3.4Å; V108-I112 WeakPolarHBondContact O-CD1 3.37Å; V108-I112 WeakPolarHBondContact O-CG1 3.49Å; V108-I112 PolarHBondContact O-N 3.33Å; E110-I112 PolarHBondContact O-N 3.22Å; I112-M115 PolarHBondContact O-N 3.07Å; I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 3.38Å; I112-I132 HydrophobicContact CB-CD1 4.35Å; I112-I132 HydrophobicContact CG1-CD1 3.81Å; I112-I132 HydrophobicContact CG2-CD1 4.45Å; I112-L148 HydrophobicContact CD1-CD1 3.8Å; I112-T151 WeakPolarHBondContact CD1-OG1 3.34Å; I112-Y155 HydrophobicContact CG2-CD2 3.8Å; I112-Y155 HydrophobicContact CG2-CE2 4.48Å; I112-Y155 HydrophobicContact CG2-CG 4.42Å
113K88Confident80.1Confident76 Ų7663.4 Ų63.433%0.3332%0.322SS..Hα-helixtrans-65.7-46.7178.2-179-175162.3-147.60112.2Q109 E110 V111 M115 A116 Q117Q109-K113 VanDerWaalsContact O-CB 3.24Å; Q109-K113 WeakPolarHBondContact O-CB 3.49Å; Q109-K113 PolarHBondContact O-N 3.03Å; E110-K113 PolarHBondContact O-N 3.39Å; E110-K113 IonicContact OE1-NZ 2.57Å; E110-K113 PolarHBondContact OE1-NZ 3.46Å; E110-K113 VanDerWaalsContact OE1-NZ 3.11Å; E110-K113 IonicContact OE2-NZ 3.26Å; E110-K113 PolarHBondContact OE2-NZ 3.49Å; V111-K113 VanDerWaalsContact C-N 3.3Å; V111-K113 PolarHBondContact O-N 2.96Å; K113-M115 VanDerWaalsContact C-N 3.3Å; K113-M115 PolarHBondContact O-N 3.3Å; K113-A116 PolarHBondContact O-N 2.88Å; K113-Q117 WeakPolarHBondContact O-CG 3.33Å; K113-Q117 PolarHBondContact O-N 2.81Å; K113-Q117 VanDerWaalsContact O-N 3.07Å
114N86.9Confident78.6Confident66 Ų6669 Ų6935%0.35335%0.35SS..Hα-helixtrans-62.9-39.3177.4-70.1-12.2000111.4E110 V111 Q117 T118E110-N114 WeakPolarHBondContact O-CB 3.48Å; E110-N114 PolarHBondContact O-N 3.49Å; E110-N114 PolarHBondContact O-ND2 2.79Å; V111-N114 PolarHBondContact O-N 3.22Å; N114-Q117 PolarHBondContact O-N 3.37Å; N114-T118 PolarHBondContact O-N 3.13Å; N114-T118 VanDerWaalsContact O-N 3.15Å; N114-T118 PolarHBondContact O-OG1 3.12Å
115M84Confident76.9Confident13 Ų1372.7 Ų72.76%0.06438%0.381CS..Hα-helixtrans-67.1-38.8175-75.8-164.676.700113.1I93 V111 I112 K113 Q117 T118 K130 I132I93-M115 HydrophobicContact CB-CE 4.07Å; I93-M115 HydrophobicContact CB-SD 3.73Å; I93-M115 HydrophobicContact CD1-CE 3.75Å; I93-M115 HydrophobicContact CD1-CG 3.64Å; I93-M115 HydrophobicContact CD1-SD 3.29Å; I93-M115 WeakPolarHBondContact CD1-SD 3Å; I93-M115 HydrophobicContact CG1-CE 3.56Å; I93-M115 HydrophobicContact CG1-CG 4.49Å; I93-M115 HydrophobicContact CG1-SD 3.56Å; I93-M115 VanDerWaalsContact CG1-SD 3.56Å; V111-M115 HydrophobicContact CG1-SD 4.41Å; V111-M115 WeakPolarHBondContact O-CB 3.46Å; V111-M115 VanDerWaalsContact O-CG 3.32Å; V111-M115 WeakPolarHBondContact O-CG 3.32Å; V111-M115 PolarHBondContact O-N 3.23Å; I112-M115 PolarHBondContact O-N 3.07Å; K113-M115 VanDerWaalsContact C-N 3.3Å; K113-M115 PolarHBondContact O-N 3.3Å; M115-Q117 VanDerWaalsContact C-N 3.29Å; M115-Q117 PolarHBondContact O-N 2.97Å; M115-T118 PolarHBondContact O-N 3.48Å; M115-K130 HydrophobicContact CE-CB 3.91Å; M115-K130 HydrophobicContact CE-CD 4.04Å; M115-I132 HydrophobicContact CB-CD1 4.24Å; M115-I132 HydrophobicContact CE-CD1 4.34Å; M115-I132 HydrophobicContact CE-CG1 3.88Å; M115-I132 HydrophobicContact CG-CD1 4.41Å; M115-I132 HydrophobicContact SD-CD1 3.43Å; M115-I132 WeakPolarHBondContact SD-CD1 3.32Å; M115-I132 HydrophobicContact SD-CG1 3.4Å; M115-I132 WeakPolarHBondContact SD-CG1 3.25Å
116A82.7Confident75.5Confident14 Ų1472.2 Ų72.212%0.11638%0.383CS..Hα-helixtrans-67.4-30.3177.700000112.5I112 K113 Y155I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 3.38Å; K113-A116 PolarHBondContact O-N 2.88Å; A116-Y155 HydrophobicContact CB-CD1 3.36Å; A116-Y155 HydrophobicContact CB-CE1 3.66Å; A116-Y155 HydrophobicContact CB-CG 3.86Å
117Q83Confident74.4Confident132 Ų13273.6 Ų73.662%0.61739%0.386SS*.Hα-helixtrans-74.5-31.7174.6-71.2176.6-12.300112.5K113 N114 M115 Q119K113-Q117 WeakPolarHBondContact O-CG 3.33Å; K113-Q117 PolarHBondContact O-N 2.81Å; K113-Q117 VanDerWaalsContact O-N 3.07Å; N114-Q117 PolarHBondContact O-N 3.37Å; M115-Q117 VanDerWaalsContact C-N 3.29Å; M115-Q117 PolarHBondContact O-N 2.97Å; Q117-Q119 PolarHBondContact O-N 3.05Å
118T78.6Confident73.7Confident77 Ų7784.7 Ų84.747%0.47243%0.428SS..SBendtrans-80.687.5179.6-48.40000109.9N114 M115 K130N114-T118 PolarHBondContact O-N 3.13Å; N114-T118 VanDerWaalsContact O-N 3.15Å; N114-T118 PolarHBondContact O-OG1 3.12Å; M115-T118 PolarHBondContact O-N 3.48Å; T118-K130 VanDerWaalsContact CG2-NZ 3.31Å; T118-K130 WeakPolarHBondContact O-CE 3.36Å; T118-K130 PolarHBondContact O-NZ 3.3Å
119Q64.8Low73.6Confident153 Ų15385.5 Ų85.572%0.71543%0.432SS*.  trans-61.9143.2173.2-70.1-166.3-2.700111.1Q117 L121Q117-Q119 PolarHBondContact O-N 3.05Å; Q119-L121 PolarHBondContact O-N 3.22Å; Q119-L121 VanDerWaalsContact O-N 3.15Å
120P62.7Low73.6Confident50 Ų5084 Ų8433%0.32543%0.425SS..  trans-63.9115.7171.325.2-29.5000109.1E122P120-E122 PolarHBondContact O-N 3.19Å
121L59.2Low73.8Confident178 Ų17880.9 Ų80.993%0.93241%0.41SS*.SBendtrans-63.9-19.3-178.8-74.5150000112.9Q119Q119-L121 PolarHBondContact O-N 3.22Å; Q119-L121 VanDerWaalsContact O-N 3.15Å
122E56.7Low74.1Confident139 Ų13980.7 Ų80.765%0.6541%0.408SS*.  trans-104.993.2-177.6-70.7179.9169.600111.3P120 H124P120-E122 PolarHBondContact O-N 3.19Å; E122-H124 VanDerWaalsContact C-N 3.32Å; E122-H124 PolarHBondContact O-N 3.04Å
123S52.4Low74.4Confident108 Ų10880.7 Ų80.776%0.75541%0.409SS*.THydrogen-bonded Turntrans-79.4-7.2-177.6-65.30000114.7
124H54Low74.7Confident193 Ų19377.1 Ų77.189%0.89439%0.393SS*.THydrogen-bonded Turntrans-101.6-12.5-164.6-79.6-64.1000116.7E122E122-H124 VanDerWaalsContact C-N 3.32Å; E122-H124 PolarHBondContact O-N 3.04Å
125A52.5Low75.1Confident79 Ų7975 Ų7565%0.65338%0.382SS*.THydrogen-bonded Turntrans-132.2-17-169.100000117.4
126Q61.4Low75.4Confident80 Ų8077.4 Ų77.437%0.37439%0.393SS..SBendtrans-153.3147.7-175-99.713914.100111.7Y60 Y91Y60-Q126 PolarHBondContact O-NE2 3.41Å; Y60-Q126 VanDerWaalsContact O-NE2 3.07Å; Y91-Q126 PolarHBondContact OH-OE1 3.03Å
127K65.7Low75.9Confident58 Ų5876.7 Ų76.725%0.25239%0.387SS..  trans-37.4141.1-167.4-60.5-177.6177.2-162.90115V30 L59 F129V30-K127 PolarHBondContact O-NZ 3.4Å; L59-K127 HydrophobicContact CD2-CD 3.78Å; K127-F129 HydrophobicContact CB-CD1 4.17Å; K127-F129 HydrophobicContact CB-CE1 3.83Å; K127-F129 HydrophobicContact CB-CZ 4.25Å; K127-F129 HydrophobicContact CD-CE1 3.83Å; K127-F129 HydrophobicContact CD-CZ 3.78Å; K127-F129 HydrophobicContact CG-CE1 4.37Å; K127-F129 PolarHBondContact O-N 3.46Å
128R74.2Confident76.3Confident234 Ų23471.3 Ų71.388%0.88336%0.363SS*.SBendtrans-65-2-173.7-68.1-175.1177.2176.2-0.7116.7
129F85.8Confident76.8Confident17 Ų1773.4 Ų73.48%0.07537%0.365CS..  trans-118.9150.8-176.963.4-95.6000111.4F35 L59 Y60 K127 V131 V158 R160F35-F129 HydrophobicContact CB-CE1 4.11Å; F35-F129 HydrophobicContact CB-CE2 4.16Å; F35-F129 HydrophobicContact CB-CZ 3.47Å; F35-F129 VanDerWaalsContact CB-CZ 3.47Å; F35-F129 HydrophobicContact CD1-CE2 4.14Å; F35-F129 HydrophobicContact CD1-CZ 4.29Å; F35-F129 HydrophobicContact CG-CE2 4.38Å; F35-F129 HydrophobicContact CG-CZ 4.09Å; L59-F129 HydrophobicContact CD2-CZ 4.33Å; Y60-F129 PolarHBondContact OH-O 2.88Å; K127-F129 HydrophobicContact CB-CD1 4.17Å; K127-F129 HydrophobicContact CB-CE1 3.83Å; K127-F129 HydrophobicContact CB-CZ 4.25Å; K127-F129 HydrophobicContact CD-CE1 3.83Å; K127-F129 HydrophobicContact CD-CZ 3.78Å; K127-F129 HydrophobicContact CG-CE1 4.37Å; K127-F129 PolarHBondContact O-N 3.46Å; F129-V131 HydrophobicContact CD2-CG2 4.1Å; F129-V131 HydrophobicContact CE2-CG2 3.8Å; F129-V158 WeakPolarHBondContact CA-O 3.48Å; F129-V158 WeakPolarHBondContact CB-O 3.47Å; F129-R160 HydrophobicContact CB-CG 4.19Å; F129-R160 HydrophobicContact CD1-CG 4.29Å; F129-R160 HydrophobicContact CD2-CB 3.79Å; F129-R160 HydrophobicContact CD2-CG 3.31Å; F129-R160 HydrophobicContact CE2-CB 4.03Å; F129-R160 HydrophobicContact CE2-CG 3.67Å; F129-R160 HydrophobicContact CG-CG 3.67Å; F129-R160 HydrophobicContact CZ-CG 4.29Å
130K88.4Confident78.1Confident27 Ų2766.5 Ų66.512%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-95.1150.5169.5-70.3179.9173.4174.20110.7Y91 M115 T118 V158 C159 R160Y91-K130 WeakPolarHBondContact O-CA 3.36Å; M115-K130 HydrophobicContact CE-CB 3.91Å; M115-K130 HydrophobicContact CE-CD 4.04Å; T118-K130 VanDerWaalsContact CG2-NZ 3.31Å; T118-K130 WeakPolarHBondContact O-CE 3.36Å; T118-K130 PolarHBondContact O-NZ 3.3Å; K130-V158 PolarHBondContact N-O 3.23Å; K130-C159 CarbonylContact O-C 3.57Å; K130-C159 WeakPolarHBondContact O-CA 3.31Å; K130-R160 PolarHBondContact O-N 2.77Å
131V91.9Very high79.5Confident0 Ų066.3 Ų66.30%033%0.331CS..EExtended strand (participates in β ladder)trans-103.6135.2176.4174.20000111.2L56 L59 Y60 Y91 H92 I93 F129 V133 R160 I162L56-V131 HydrophobicContact CD2-CB 3.86Å; L56-V131 HydrophobicContact CD2-CG1 3.67Å; L56-V131 HydrophobicContact CD2-CG2 4.25Å; L59-V131 HydrophobicContact CD1-CG2 4.41Å; Y60-V131 HydrophobicContact CE2-CB 4.32Å; Y60-V131 HydrophobicContact CE2-CG2 3.97Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.26Å; Y60-V131 PolarHBondContact OH-N 3.41Å; Y91-V131 PolarHBondContact O-N 2.88Å; Y91-V131 VanDerWaalsContact O-N 3.15Å; H92-V131 CarbonylContact C-O 3.57Å; H92-V131 WeakPolarHBondContact CA-O 3.4Å; H92-V131 HydrophobicContact CB-CB 4.02Å; H92-V131 WeakPolarHBondContact CB-O 3.24Å; I93-V131 PolarHBondContact N-O 3.49Å; F129-V131 HydrophobicContact CD2-CG2 4.1Å; F129-V131 HydrophobicContact CE2-CG2 3.8Å; V131-V133 HydrophobicContact CG1-CG2 4.16Å; V131-R160 CarbonylContact C-O 3.47Å; V131-R160 VanDerWaalsContact CA-O 3.32Å; V131-R160 WeakPolarHBondContact CA-O 3.27Å; V131-R160 HydrophobicContact CG2-CB 4.34Å; V131-I162 HydrophobicContact CG1-CD1 3.66Å; V131-I162 HydrophobicContact CG1-CG1 3.78Å
132I93.9Very high81Confident0 Ų067.4 Ų67.40%032%0.322CS..EExtended strand (participates in β ladder)trans-114119.8173.3-54.8-177.5000108.1I93 M95 I112 M115 L134 C159 R160 L161 I162I93-I132 WeakPolarHBondContact O-CA 3.45Å; M95-I132 HydrophobicContact CE-CG2 4.43Å; I112-I132 HydrophobicContact CB-CD1 4.35Å; I112-I132 HydrophobicContact CG1-CD1 3.81Å; I112-I132 HydrophobicContact CG2-CD1 4.45Å; M115-I132 HydrophobicContact CB-CD1 4.24Å; M115-I132 HydrophobicContact CE-CD1 4.34Å; M115-I132 HydrophobicContact CE-CG1 3.88Å; M115-I132 HydrophobicContact CG-CD1 4.41Å; M115-I132 HydrophobicContact SD-CD1 3.43Å; M115-I132 WeakPolarHBondContact SD-CD1 3.32Å; M115-I132 HydrophobicContact SD-CG1 3.4Å; M115-I132 WeakPolarHBondContact SD-CG1 3.25Å; I132-L134 HydrophobicContact CG2-CD2 3.79Å; I132-L134 HydrophobicContact CG2-CG 4.37Å; I132-C159 HydrophobicContact CD1-CB 4.31Å; I132-R160 PolarHBondContact N-O 3.34Å; I132-L161 HydrophobicContact CB-CD2 3.55Å; I132-L161 HydrophobicContact CB-CG 4.36Å; I132-L161 HydrophobicContact CG1-CD2 4.5Å; I132-L161 HydrophobicContact CG2-CD2 3.73Å; I132-L161 CarbonylContact O-C 3.59Å; I132-L161 WeakPolarHBondContact O-CA 3.33Å; I132-I162 PolarHBondContact O-N 3Å
133V95.6Very high82.7Confident1 Ų167.2 Ų67.21%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-100.2113.1177.2-175.10000108.8I52 L56 I93 I94 M95 V131 L135 I162I52-V133 HydrophobicContact CD1-CG1 4.28Å; I52-V133 HydrophobicContact CG2-CG1 3.98Å; I52-V133 HydrophobicContact CG2-CG2 3.91Å; L56-V133 HydrophobicContact CD1-CG2 4.03Å; I93-V133 PolarHBondContact O-N 3.44Å; I94-V133 WeakPolarHBondContact CA-O 3.28Å; I94-V133 HydrophobicContact CB-CB 4.26Å; I94-V133 HydrophobicContact CG1-CB 4.01Å; I94-V133 HydrophobicContact CG1-CG2 4.15Å; I94-V133 HydrophobicContact CG2-CB 4.14Å; I94-V133 HydrophobicContact CG2-CG1 4.18Å; M95-V133 PolarHBondContact N-O 3.08Å; V131-V133 HydrophobicContact CG1-CG2 4.16Å; V133-L135 HydrophobicContact CG1-CD2 3.9Å; V133-I162 CarbonylContact C-O 3.53Å; V133-I162 WeakPolarHBondContact CA-O 3.4Å; V133-I162 HydrophobicContact CG2-CB 4.28Å
134L94.6Very high84.6Confident0 Ų062 Ų620%029%0.286CS..EExtended strand (participates in β ladder)trans-97.7117.4173.8-56.2-172.1000109.2M95 I132 V137 L148 L161 I162 L163 C164M95-L134 HydrophobicContact CE-CD2 3.15Å; M95-L134 HydrophobicContact CG-CD2 3.52Å; M95-L134 HydrophobicContact SD-CD2 4.11Å; I132-L134 HydrophobicContact CG2-CD2 3.79Å; I132-L134 HydrophobicContact CG2-CG 4.37Å; L134-V137 HydrophobicContact CB-CG2 3.62Å; L134-V137 WeakPolarHBondContact O-CG2 2.94Å; L134-L148 HydrophobicContact CD1-CD1 3.63Å; L134-L148 HydrophobicContact CD1-CD2 3.85Å; L134-L148 HydrophobicContact CD1-CG 4.4Å; L134-L161 HydrophobicContact CD1-CD2 4.12Å; L134-L161 HydrophobicContact CG-CD2 4.15Å; L134-I162 PolarHBondContact N-O 2.85Å; L134-L163 HydrophobicContact CB-CD2 3.9Å; L134-L163 HydrophobicContact CD1-CD2 3.67Å; L134-L163 HydrophobicContact CG-CD2 3.94Å; L134-C164 PolarHBondContact O-N 3.46Å
135L94.5Very high86.5Confident22 Ų2253 Ų5312%0.11524%0.244CC..EExtended strand (participates in β ladder)trans-91147175.5-57.8-178.6000110.7I94 M95 V133 V137 C164I94-L135 HydrophobicContact CG2-CD1 3.71Å; I94-L135 HydrophobicContact CG2-CD2 4.41Å; I94-L135 HydrophobicContact CG2-CG 3.91Å; M95-L135 PolarHBondContact O-N 3.43Å; V133-L135 HydrophobicContact CG1-CD2 3.9Å; L135-V137 VanDerWaalsContact C-N 3.34Å; L135-V137 PolarHBondContact O-N 3.06Å; L135-C164 HydrophobicContact CD2-CB 3.91Å
136E91.7Very high88.4Confident63 Ų6353.4 Ų53.429%0.29423%0.232SC..  trans56.143.1175.7-51.3-163.3152.300114.1S98 D138 K139 C164S98-E136 PolarHBondContact OG-O 3.29Å; E136-D138 WeakPolarHBondContact CA-OD1 3.46Å; E136-D138 PolarHBondContact O-N 3.35Å; E136-D138 VanDerWaalsContact O-N 3.1Å; E136-K139 HydrophobicContact CB-CD 4.28Å; E136-K139 HydrophobicContact CB-CG 4.48Å; E136-K139 WeakPolarHBondContact O-CB 3.31Å; E136-K139 PolarHBondContact O-N 3.36Å; E136-K139 IonicContact OE1-NZ 3.52Å; E136-K139 WeakPolarHBondContact OE2-CD 3.46Å; E136-K139 VanDerWaalsContact OE2-CE 3.28Å; E136-K139 WeakPolarHBondContact OE2-CE 3.22Å; E136-K139 IonicContact OE2-NZ 2.88Å; E136-K139 PolarHBondContact OE2-NZ 3.2Å; E136-C164 PolarHBondContact N-O 3.44Å
137V93Very high89.9Confident0 Ų049.8 Ų49.80%022%0.216CC..G310 helixtrans-58.9-23.8-180176.10000112.3L134 L135 K139 L140 L163 C164 C165 V171L134-V137 HydrophobicContact CB-CG2 3.62Å; L134-V137 WeakPolarHBondContact O-CG2 2.94Å; L135-V137 VanDerWaalsContact C-N 3.34Å; L135-V137 PolarHBondContact O-N 3.06Å; V137-K139 PolarHBondContact O-N 3.22Å; V137-L140 HydrophobicContact CB-CD1 4.47Å; V137-L140 HydrophobicContact CG1-CD1 4.11Å; V137-L140 WeakPolarHBondContact O-CB 3.41Å; V137-L140 PolarHBondContact O-N 3.22Å; V137-L163 HydrophobicContact CG2-CB 4.01Å; V137-L163 HydrophobicContact CG2-CD2 4.13Å; V137-C164 PolarHBondContact N-O 3.18Å; V137-C165 HydrophobicContact CB-CB 4.43Å; V137-V171 HydrophobicContact CG1-CG2 4.27Å
138D90.4Very high91.2Very high19 Ų1947 Ų4710%0.10220%0.204CC..G310 helixtrans-68.5-12.9173.951.6-40.5000114.5E136 C165 Q166 K170E136-D138 WeakPolarHBondContact CA-OD1 3.46Å; E136-D138 PolarHBondContact O-N 3.35Å; E136-D138 VanDerWaalsContact O-N 3.1Å; D138-C165 HydrophobicContact CB-CB 3.9Å; D138-C165 WeakPolarHBondContact OD1-CA 3.41Å; D138-Q166 PolarHBondContact OD2-N 3.31Å; D138-K170 HydrophobicContact CB-CB 3.98Å; D138-K170 HydrophobicContact CB-CD 4.28Å; D138-K170 WeakPolarHBondContact O-CD 3.26Å
139K90.2Very high92.1Very high121 Ų12140 Ų4053%0.52618%0.177SC..G310 helixtrans-97.9-5.6172.9-63.6-176.4-175.9169.50113.5E136 V137E136-K139 HydrophobicContact CB-CD 4.28Å; E136-K139 HydrophobicContact CB-CG 4.48Å; E136-K139 WeakPolarHBondContact O-CB 3.31Å; E136-K139 PolarHBondContact O-N 3.36Å; E136-K139 IonicContact OE1-NZ 3.52Å; E136-K139 WeakPolarHBondContact OE2-CD 3.46Å; E136-K139 VanDerWaalsContact OE2-CE 3.28Å; E136-K139 WeakPolarHBondContact OE2-CE 3.22Å; E136-K139 IonicContact OE2-NZ 2.88Å; E136-K139 PolarHBondContact OE2-NZ 3.2Å; V137-K139 PolarHBondContact O-N 3.22Å
140L91.5Very high92.4Very high8 Ų847.7 Ų47.74%0.04221%0.206CC..SBendtrans-67.5142.5176.3-75.3178.8000111.7P97 D104 V137 A144 Q145P97-L140 HydrophobicContact CB-CD2 3.78Å; P97-L140 HydrophobicContact CG-CD1 4.24Å; P97-L140 HydrophobicContact CG-CD2 3.52Å; P97-L140 HydrophobicContact CG-CG 4.16Å; D104-L140 HydrophobicContact CB-CD2 3.75Å; D104-L140 WeakPolarHBondContact OD2-CD2 3.46Å; V137-L140 HydrophobicContact CB-CD1 4.47Å; V137-L140 HydrophobicContact CG1-CD1 4.11Å; V137-L140 WeakPolarHBondContact O-CB 3.41Å; V137-L140 PolarHBondContact O-N 3.22Å; L140-A144 HydrophobicContact CB-CB 4.46Å; L140-A144 HydrophobicContact CD2-CB 4.23Å; L140-Q145 HydrophobicContact CB-CG 3.9Å; L140-Q145 PolarHBondContact O-NE2 3.27Å; L140-Q145 VanDerWaalsContact O-NE2 3.11Å
141T91.7Very high92.4Very high45 Ų4547 Ų4728%0.27620%0.204SC..  trans-61.2152.2172.665.90000111.1D104 E143 A144 Q145D104-T141 PolarHBondContact OD1-OG1 2.87Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.43Å; D104-T141 PolarHBondContact OD2-N 3.13Å; D104-T141 PolarHBondContact OD2-OG1 2.94Å; D104-T141 VanDerWaalsContact OD2-OG1 3.06Å; T141-E143 PolarHBondContact O-N 3.1Å; T141-A144 PolarHBondContact O-N 3.45Å; T141-A144 VanDerWaalsContact O-N 3.16Å; T141-A144 VanDerWaalsContact OG1-CB 3.27Å; T141-A144 WeakPolarHBondContact OG1-CB 3.11Å; T141-A144 PolarHBondContact OG1-N 3.17Å; T141-A144 VanDerWaalsContact OG1-N 3.11Å; T141-Q145 WeakPolarHBondContact O-CG 3.49Å; T141-Q145 PolarHBondContact O-N 3.24Å
142R90.9Very high92.4Very high201 Ų20147.1 Ų47.176%0.75820%0.204SC*.Hα-helixtrans-57.7-36.9176.2-71.2-174.6176.1-177.20.1111.5Q145 H146R142-Q145 PolarHBondContact O-N 2.95Å; R142-H146 PolarHBondContact O-CD2 3.13Å; R142-H146 PolarHBondContact O-N 3.36Å
143E92.3Very high92.2Very high135 Ų13551.3 Ų51.363%0.63122%0.224SC*.Hα-helixtrans-63.9-45.4176.4-63.8-172.8-175.200112.4T141 Q145 H146 A147T141-E143 PolarHBondContact O-N 3.1Å; E143-Q145 VanDerWaalsContact C-N 3.31Å; E143-Q145 PolarHBondContact O-N 3.3Å; E143-H146 PolarHBondContact O-N 3.29Å; E143-A147 WeakPolarHBondContact O-CB 3.4Å; E143-A147 PolarHBondContact O-N 3.42Å
144A92.6Very high92Very high0 Ų058.4 Ų58.40%026%0.255CS..Hα-helixtrans-63.3-37.5175.200000112.1D104 R105 L140 T141 A147 L148D104-A144 HydrophobicContact CB-CB 4.22Å; D104-A144 WeakPolarHBondContact OD1-CB 3.49Å; D104-A144 VanDerWaalsContact OD2-CB 3.29Å; D104-A144 WeakPolarHBondContact OD2-CB 3.43Å; R105-A144 HydrophobicContact CB-CB 4.2Å; L140-A144 HydrophobicContact CB-CB 4.46Å; L140-A144 HydrophobicContact CD2-CB 4.23Å; T141-A144 PolarHBondContact O-N 3.45Å; T141-A144 VanDerWaalsContact O-N 3.16Å; T141-A144 VanDerWaalsContact OG1-CB 3.27Å; T141-A144 WeakPolarHBondContact OG1-CB 3.11Å; T141-A144 PolarHBondContact OG1-N 3.17Å; T141-A144 VanDerWaalsContact OG1-N 3.11Å; A144-A147 WeakPolarHBondContact O-CB 3.45Å; A144-A147 PolarHBondContact O-N 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.25Å; A144-L148 PolarHBondContact O-N 2.77Å
145Q93.5Very high91.8Very high4 Ų460.4 Ų60.42%0.01926%0.263CS..Hα-helixtrans-66.2-38.8175-65.6-174.540.500112.4L140 T141 R142 E143 L148 R149 K170 I172L140-Q145 HydrophobicContact CB-CG 3.9Å; L140-Q145 PolarHBondContact O-NE2 3.27Å; L140-Q145 VanDerWaalsContact O-NE2 3.11Å; T141-Q145 WeakPolarHBondContact O-CG 3.49Å; T141-Q145 PolarHBondContact O-N 3.24Å; R142-Q145 PolarHBondContact O-N 2.95Å; E143-Q145 VanDerWaalsContact C-N 3.31Å; E143-Q145 PolarHBondContact O-N 3.3Å; Q145-L148 PolarHBondContact O-N 2.77Å; Q145-R149 PolarHBondContact O-N 3.19Å; Q145-K170 PolarHBondContact NE2-O 3.47Å; Q145-K170 PolarHBondContact OE1-O 2.86Å; Q145-I172 HydrophobicContact CB-CD1 3.78Å; Q145-I172 HydrophobicContact CB-CG1 3.98Å; Q145-I172 HydrophobicContact CB-CG2 4.39Å
146H93Very high91.4Very high86 Ų8661.6 Ų61.640%0.39827%0.273SS..Hα-helixtrans-66.1-39.1172.7-77.8-64.1000112.5R142 E143 R149 R150R142-H146 PolarHBondContact O-CD2 3.13Å; R142-H146 PolarHBondContact O-N 3.36Å; E143-H146 PolarHBondContact O-N 3.29Å; H146-R149 PolarHBondContact O-N 2.88Å; H146-R150 PolarHBondContact O-N 2.88Å
147A92.3Very high91.1Very high5 Ų563.2 Ų63.24%0.04129%0.291CS..Hα-helixtrans-62.8-45.7172.900000111.5R105 Q109 E143 A144 R149 R150 T151R105-A147 HydrophobicContact CG-CB 3.77Å; Q109-A147 HydrophobicContact CG-CB 3.99Å; E143-A147 WeakPolarHBondContact O-CB 3.4Å; E143-A147 PolarHBondContact O-N 3.42Å; A144-A147 WeakPolarHBondContact O-CB 3.45Å; A144-A147 PolarHBondContact O-N 3.28Å; A147-R149 VanDerWaalsContact C-N 3.35Å; A147-R149 PolarHBondContact O-N 2.57Å; A147-R150 PolarHBondContact O-N 3.4Å; A147-R150 VanDerWaalsContact O-N 3.15Å; A147-T151 PolarHBondContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 2.7Å
148L93Very high90.8Very high0 Ų065.2 Ų65.20%030%0.303CS..Hα-helixtrans-55.4-49.6175.6179.963.9000110.6V108 I112 L134 A144 Q145 R150 T151 M152 L161 L163V108-L148 HydrophobicContact CG1-CB 4.29Å; V108-L148 HydrophobicContact CG1-CD1 3.9Å; I112-L148 HydrophobicContact CD1-CD1 3.8Å; L134-L148 HydrophobicContact CD1-CD1 3.63Å; L134-L148 HydrophobicContact CD1-CD2 3.85Å; L134-L148 HydrophobicContact CD1-CG 4.4Å; A144-L148 WeakPolarHBondContact O-CB 3.25Å; A144-L148 PolarHBondContact O-N 2.77Å; Q145-L148 PolarHBondContact O-N 2.77Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.44Å; L148-T151 VanDerWaalsContact CA-OG1 3.31Å; L148-T151 WeakPolarHBondContact CA-OG1 3.34Å; L148-T151 PolarHBondContact O-N 3.42Å; L148-T151 VanDerWaalsContact O-N 3.08Å; L148-T151 PolarHBondContact O-OG1 3.22Å; L148-M152 HydrophobicContact CD1-CG 4.35Å; L148-M152 HydrophobicContact CG-CG 4.32Å; L148-M152 HydrophobicContact CG-SD 4.17Å; L148-M152 VanDerWaalsContact O-CG 3.26Å; L148-M152 WeakPolarHBondContact O-CG 3.42Å; L148-M152 PolarHBondContact O-N 3.41Å; L148-L161 HydrophobicContact CD1-CD1 4.11Å; L148-L161 HydrophobicContact CD1-CD2 4.38Å; L148-L163 HydrophobicContact CD2-CD1 4.27Å; L148-L163 HydrophobicContact CD2-CD2 4.03Å
149R93Very high90.8Very high85 Ų8564.4 Ų64.432%0.32130%0.299SS..Hα-helixtrans-52-47.4176179.9-152.9163.6-179.2-7.3112.3Q145 H146 A147 M152 E153 P174 V175Q145-R149 PolarHBondContact O-N 3.19Å; H146-R149 PolarHBondContact O-N 2.88Å; A147-R149 VanDerWaalsContact C-N 3.35Å; A147-R149 PolarHBondContact O-N 2.57Å; R149-M152 WeakPolarHBondContact O-CB 3.38Å; R149-M152 PolarHBondContact O-N 2.96Å; R149-E153 IonicContact NE-OE1 3.88Å; R149-E153 PolarHBondContact O-N 3.46Å; R149-P174 HydrophobicContact CG-CB 4.21Å; R149-V175 HydrophobicContact CB-CG2 4.13Å
150R91.8Very high90.9Very high180 Ų18060.8 Ų60.868%0.67928%0.282SS*.Hα-helixtrans-64.5-41.3179.1-67.6176.9-178.3171.71.5111.5H146 A147 L148 E153 K154H146-R150 PolarHBondContact O-N 2.88Å; A147-R150 PolarHBondContact O-N 3.4Å; A147-R150 VanDerWaalsContact O-N 3.15Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.44Å; R150-E153 PolarHBondContact O-N 2.66Å; R150-K154 WeakPolarHBondContact O-CB 3.39Å; R150-K154 PolarHBondContact O-N 3.48Å; R150-K154 VanDerWaalsContact O-N 3.16Å
151T90.3Very high91Very high11 Ų1160.4 Ų60.47%0.06728%0.28CS..Hα-helixtrans-69.4-34178.6550000113.2Q109 I112 A147 L148 E153 K154 Y155Q109-T151 HydrophobicContact CG-CG2 4.19Å; I112-T151 WeakPolarHBondContact CD1-OG1 3.34Å; A147-T151 PolarHBondContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 2.7Å; L148-T151 VanDerWaalsContact CA-OG1 3.31Å; L148-T151 WeakPolarHBondContact CA-OG1 3.34Å; L148-T151 PolarHBondContact O-N 3.42Å; L148-T151 VanDerWaalsContact O-N 3.08Å; L148-T151 PolarHBondContact O-OG1 3.22Å; T151-E153 PolarHBondContact O-N 3.07Å; T151-K154 PolarHBondContact O-N 3.1Å; T151-Y155 WeakPolarHBondContact O-CD2 3.12Å; T151-Y155 PolarHBondContact O-N 2.98Å
152M91.3Very high91.2Very high3 Ų358.2 Ų58.22%0.01527%0.267CS..Hα-helixtrans-58.2-47.2174.4-73.6175.679.800111.3H37 L148 R149 S156 L161 V175 R178 C179H37-M152 HydrophobicContact CB-CE 3.87Å; L148-M152 HydrophobicContact CD1-CG 4.35Å; L148-M152 HydrophobicContact CG-CG 4.32Å; L148-M152 HydrophobicContact CG-SD 4.17Å; L148-M152 VanDerWaalsContact O-CG 3.26Å; L148-M152 WeakPolarHBondContact O-CG 3.42Å; L148-M152 PolarHBondContact O-N 3.41Å; R149-M152 WeakPolarHBondContact O-CB 3.38Å; R149-M152 PolarHBondContact O-N 2.96Å; M152-S156 WeakPolarHBondContact O-CA 3.26Å; M152-S156 VanDerWaalsContact O-CB 3.27Å; M152-S156 WeakPolarHBondContact O-CB 3.18Å; M152-S156 PolarHBondContact O-N 3.44Å; M152-S156 VanDerWaalsContact O-N 3.12Å; M152-L161 HydrophobicContact CB-CD1 4.35Å; M152-L161 HydrophobicContact CG-CD1 3.34Å; M152-L161 HydrophobicContact SD-CD1 4.4Å; M152-V175 HydrophobicContact SD-CG1 4.4Å; M152-R178 HydrophobicContact CE-CB 3.89Å; M152-C179 WeakPolarHBondContact CE-SG 3.14Å
153E89.5Confident91.4Very high89 Ų8948.7 Ų48.742%0.41623%0.231SC..Hα-helixtrans-65.2-49.4179-68.5169.7-177.800111.2R149 R150 T151 Y155 S156 R178R149-E153 IonicContact NE-OE1 3.88Å; R149-E153 PolarHBondContact O-N 3.46Å; R150-E153 PolarHBondContact O-N 2.66Å; T151-E153 PolarHBondContact O-N 3.07Å; E153-Y155 VanDerWaalsContact C-N 3.34Å; E153-Y155 PolarHBondContact O-N 3.48Å; E153-S156 PolarHBondContact O-OG 3.03Å; E153-S156 VanDerWaalsContact O-OG 3.1Å; E153-R178 IonicContact OE1-CZ 3.72Å; E153-R178 IonicContact OE1-NE 2.71Å; E153-R178 PolarHBondContact OE1-NE 3.48Å; E153-R178 IonicContact OE1-NH2 2.94Å; E153-R178 PolarHBondContact OE1-NH2 3.39Å
154K91.2Very high91.6Very high149 Ų14942.9 Ų42.965%0.64821%0.205SC*.Hα-helixtrans-62.6-37-174.9-172.7176.4-179.7-171.90113.5R150 T151R150-K154 WeakPolarHBondContact O-CB 3.39Å; R150-K154 PolarHBondContact O-N 3.48Å; R150-K154 VanDerWaalsContact O-N 3.16Å; T151-K154 PolarHBondContact O-N 3.1Å
155Y89.3Confident91.7Very high43 Ų4342.9 Ų42.917%0.16921%0.205CC..THydrogen-bonded Turntrans-115.416.6-172.7-58.8-67.6000113.8I112 A116 T151 E153 S157 V158 C159I112-Y155 HydrophobicContact CG2-CD2 3.8Å; I112-Y155 HydrophobicContact CG2-CE2 4.48Å; I112-Y155 HydrophobicContact CG2-CG 4.42Å; A116-Y155 HydrophobicContact CB-CD1 3.36Å; A116-Y155 HydrophobicContact CB-CE1 3.66Å; A116-Y155 HydrophobicContact CB-CG 3.86Å; T151-Y155 WeakPolarHBondContact O-CD2 3.12Å; T151-Y155 PolarHBondContact O-N 2.98Å; E153-Y155 VanDerWaalsContact C-N 3.34Å; E153-Y155 PolarHBondContact O-N 3.48Å; Y155-S157 PolarHBondContact O-N 3.33Å; Y155-S157 VanDerWaalsContact O-N 3.15Å; Y155-V158 PolarHBondContact O-N 3.45Å; Y155-V158 VanDerWaalsContact O-N 3.09Å; Y155-C159 VanDerWaalsContact CB-SG 3.56Å; Y155-C159 PolarHBondContact O-N 3.06Å; Y155-C159 PolarHBondContact O-SG 3.07Å
156S87.1Confident91.7Very high47 Ų4747 Ų4733%0.32922%0.224SC..THydrogen-bonded Turntrans-55.8-29.8-178.3520000114.7M152 E153 R160M152-S156 WeakPolarHBondContact O-CA 3.26Å; M152-S156 VanDerWaalsContact O-CB 3.27Å; M152-S156 WeakPolarHBondContact O-CB 3.18Å; M152-S156 PolarHBondContact O-N 3.44Å; M152-S156 VanDerWaalsContact O-N 3.12Å; E153-S156 PolarHBondContact O-OG 3.03Å; E153-S156 VanDerWaalsContact O-OG 3.1Å; S156-R160 PolarHBondContact O-NE 3.16Å
157S85.4Confident91.5Very high96 Ų9645.3 Ų45.367%0.67122%0.222SC*.THydrogen-bonded Turntrans-75.3-29.517956.40000113.6Y155Y155-S157 PolarHBondContact O-N 3.33Å; Y155-S157 VanDerWaalsContact O-N 3.15Å
158V87.3Confident91.6Very high43 Ų4347.1 Ų47.126%0.26123%0.231SC..THydrogen-bonded Turntrans-102.9-33.2-174.1-175.30000111.9F129 K130 Y155F129-V158 WeakPolarHBondContact CA-O 3.48Å; F129-V158 WeakPolarHBondContact CB-O 3.47Å; K130-V158 PolarHBondContact N-O 3.23Å; Y155-V158 PolarHBondContact O-N 3.45Å; Y155-V158 VanDerWaalsContact O-N 3.09Å
159C88.7Confident91.5Very high1 Ų151.8 Ų51.81%0.00726%0.263CS..EExtended strand (participates in β ladder)trans-128.2139.4-17675.90000112.1K130 I132 Y155K130-C159 CarbonylContact O-C 3.57Å; K130-C159 WeakPolarHBondContact O-CA 3.31Å; I132-C159 HydrophobicContact CD1-CB 4.31Å; Y155-C159 VanDerWaalsContact CB-SG 3.56Å; Y155-C159 PolarHBondContact O-N 3.06Å; Y155-C159 PolarHBondContact O-SG 3.07Å
160R92.2Very high91.3Very high45 Ų4554 Ų5417%0.1728%0.275CS..EExtended strand (participates in β ladder)trans-111.5148.8169.3-59.2-59.8-176.4140.813.4108.8D34 F35 F129 K130 V131 I132 S156D34-R160 IonicContact OD1-CZ 3.49Å; D34-R160 IonicContact OD1-NH1 3.11Å; D34-R160 IonicContact OD1-NH2 3.22Å; D34-R160 PolarHBondContact OD1-NH2 3.45Å; F35-R160 HydrophobicContact CD1-CB 4Å; F35-R160 HydrophobicContact CD1-CG 4.25Å; F35-R160 HydrophobicContact CE1-CB 4.46Å; F35-R160 WeakPolarHBondContact O-CD 3.47Å; F35-R160 PolarHBondContact O-NE 3.47Å; F35-R160 PolarHBondContact O-NH1 3.23Å; F35-R160 VanDerWaalsContact O-NH1 3.15Å; F129-R160 HydrophobicContact CB-CG 4.19Å; F129-R160 HydrophobicContact CD1-CG 4.29Å; F129-R160 HydrophobicContact CD2-CB 3.79Å; F129-R160 HydrophobicContact CD2-CG 3.31Å; F129-R160 HydrophobicContact CE2-CB 4.03Å; F129-R160 HydrophobicContact CE2-CG 3.67Å; F129-R160 HydrophobicContact CG-CG 3.67Å; F129-R160 HydrophobicContact CZ-CG 4.29Å; K130-R160 PolarHBondContact O-N 2.77Å; V131-R160 CarbonylContact C-O 3.47Å; V131-R160 VanDerWaalsContact CA-O 3.32Å; V131-R160 WeakPolarHBondContact CA-O 3.27Å; V131-R160 HydrophobicContact CG2-CB 4.34Å; I132-R160 PolarHBondContact N-O 3.34Å; S156-R160 PolarHBondContact O-NE 3.16Å
161L94.3Very high91.3Very high0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-119.9135-172.8-78151.9000109.4H37 L38 I132 L134 L148 M152 L163H37-L161 CarbonylContact C-O 3.58Å; H37-L161 VanDerWaalsContact CA-O 3.29Å; H37-L161 WeakPolarHBondContact CA-O 3.27Å; H37-L161 PolarHBondContact ND1-N 3.35Å; L38-L161 PolarHBondContact N-O 3.32Å; I132-L161 HydrophobicContact CB-CD2 3.55Å; I132-L161 HydrophobicContact CB-CG 4.36Å; I132-L161 HydrophobicContact CG1-CD2 4.5Å; I132-L161 HydrophobicContact CG2-CD2 3.73Å; I132-L161 CarbonylContact O-C 3.59Å; I132-L161 WeakPolarHBondContact O-CA 3.33Å; L134-L161 HydrophobicContact CD1-CD2 4.12Å; L134-L161 HydrophobicContact CG-CD2 4.15Å; L148-L161 HydrophobicContact CD1-CD1 4.11Å; L148-L161 HydrophobicContact CD1-CD2 4.38Å; M152-L161 HydrophobicContact CB-CD1 4.35Å; M152-L161 HydrophobicContact CG-CD1 3.34Å; M152-L161 HydrophobicContact SD-CD1 4.4Å; L161-L163 HydrophobicContact CB-CD2 4.32Å
162I95.8Very high91.6Very high0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-116.8107.3170.4-59.8-179.5000107.1F35 L38 I40 I52 L56 V131 I132 V133 L134F35-I162 HydrophobicContact CE1-CD1 4.22Å; F35-I162 HydrophobicContact CE1-CG1 4.18Å; F35-I162 HydrophobicContact CZ-CD1 3.99Å; F35-I162 HydrophobicContact CZ-CG1 4.3Å; L38-I162 HydrophobicContact CB-CG1 4.3Å; L38-I162 HydrophobicContact CB-CG2 4.39Å; L38-I162 WeakPolarHBondContact O-CA 3.31Å; I40-I162 HydrophobicContact CD1-CG2 3.85Å; I52-I162 HydrophobicContact CD1-CG2 3.91Å; I52-I162 HydrophobicContact CG1-CG2 3.84Å; I52-I162 HydrophobicContact CG2-CD1 4.36Å; I52-I162 HydrophobicContact CG2-CG2 4.17Å; L56-I162 HydrophobicContact CD2-CD1 4.35Å; V131-I162 HydrophobicContact CG1-CD1 3.66Å; V131-I162 HydrophobicContact CG1-CG1 3.78Å; I132-I162 PolarHBondContact O-N 3Å; V133-I162 CarbonylContact C-O 3.53Å; V133-I162 WeakPolarHBondContact CA-O 3.4Å; V133-I162 HydrophobicContact CG2-CB 4.28Å; L134-I162 PolarHBondContact N-O 2.85Å
163L95.9Very high91.7Very high0 Ų050.3 Ų50.30%027%0.273CS..EExtended strand (participates in β ladder)trans-92.2126.4-180-53.9-173.4000108.9L38 L39 I40 L134 V137 L148 L161 V175L38-L163 PolarHBondContact O-N 2.64Å; L39-L163 CarbonylContact C-O 3.6Å; L39-L163 HydrophobicContact CD1-CB 3.64Å; L39-L163 HydrophobicContact CD1-CD1 4.38Å; I40-L163 PolarHBondContact N-O 2.94Å; L134-L163 HydrophobicContact CB-CD2 3.9Å; L134-L163 HydrophobicContact CD1-CD2 3.67Å; L134-L163 HydrophobicContact CG-CD2 3.94Å; V137-L163 HydrophobicContact CG2-CB 4.01Å; V137-L163 HydrophobicContact CG2-CD2 4.13Å; L148-L163 HydrophobicContact CD2-CD1 4.27Å; L148-L163 HydrophobicContact CD2-CD2 4.03Å; L161-L163 HydrophobicContact CB-CD2 4.32Å; L163-V175 HydrophobicContact CD1-CG1 3.42Å; L163-V175 VanDerWaalsContact CD1-CG1 3.42Å
164C96Very high91.9Very high13 Ų1347.7 Ų47.79%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-115119177.1-174.70000109.9I40 I52 L134 L135 E136 V137I40-C164 WeakPolarHBondContact O-CA 3.29Å; I52-C164 HydrophobicContact CD1-CB 3.85Å; L134-C164 PolarHBondContact O-N 3.46Å; L135-C164 HydrophobicContact CD2-CB 3.91Å; E136-C164 PolarHBondContact N-O 3.44Å; V137-C164 PolarHBondContact N-O 3.18Å
165C94.6Very high92Very high1 Ų140.6 Ų40.61%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-133.6165176.4640000112I40 Y41 K48 V137 D138 S167 V171I40-C165 PolarHBondContact O-N 2.78Å; I40-C165 VanDerWaalsContact O-N 3.09Å; Y41-C165 WeakPolarHBondContact CA-O 3.39Å; Y41-C165 WeakPolarHBondContact CB-SG 3.36Å; K48-C165 PolarHBondContact NZ-O 3.25Å; V137-C165 HydrophobicContact CB-CB 4.43Å; D138-C165 HydrophobicContact CB-CB 3.9Å; D138-C165 WeakPolarHBondContact OD1-CA 3.41Å; C165-S167 PolarHBondContact SG-O 3.31Å; C165-V171 HydrophobicContact CB-CG2 4.48Å
166Q93.2Very high92.3Very high90 Ų9041.4 Ų41.442%0.42124%0.239SC..SBendtrans-83.5-49.9172.2-59.4-171.913.800111.5G42 D138G42-Q166 CarbonylContact C-O 3.54Å; G42-Q166 PolarHBondContact N-O 3.23Å; G42-Q166 WeakPolarHBondContact O-CA 3.22Å; G42-Q166 VanDerWaalsContact O-O 3.11Å; D138-Q166 PolarHBondContact OD2-N 3.31Å
167S90.3Very high92.5Very high50 Ų5043.9 Ų43.935%0.3526%0.256SS..  trans-118.6139.9176.5-175.50000111C165 S169C165-S167 PolarHBondContact SG-O 3.31Å; S167-S169 VanDerWaalsContact C-N 3.3Å; S167-S169 PolarHBondContact OG-N 2.69Å; S167-S169 PolarHBondContact OG-OG 2.91Å
168I92.8Very high92.9Very high44 Ų4443 Ų4323%0.22624%0.238CC..G310 helixtrans-74.2-21.2174.1-165.6162.6000112.5L39 Y41 K170 V171 Q176L39-I168 HydrophobicContact CD2-CD1 3.84Å; L39-I168 HydrophobicContact CD2-CG1 4.1Å; Y41-I168 HydrophobicContact CD1-CD1 4.41Å; Y41-I168 HydrophobicContact CD2-CB 4.25Å; Y41-I168 HydrophobicContact CE1-CD1 4.19Å; Y41-I168 HydrophobicContact CE2-CB 4.46Å; Y41-I168 HydrophobicContact CE2-CG2 4.42Å; Y41-I168 HydrophobicContact CG-CB 4.39Å; I168-K170 PolarHBondContact O-N 3.19Å; I168-V171 PolarHBondContact O-N 3.32Å; I168-Q176 HydrophobicContact CD1-CG 4.26Å; I168-Q176 HydrophobicContact CG1-CG 4.08Å; I168-Q176 PolarHBondContact O-NE2 2.94Å; I168-Q176 VanDerWaalsContact O-NE2 3.16Å
169S91.6Very high93.2Very high97 Ų9741.3 Ų41.368%0.67823%0.228SC*.G310 helixtrans-61.4-28.3-174.358.80000114.5S167S167-S169 VanDerWaalsContact C-N 3.3Å; S167-S169 PolarHBondContact OG-N 2.69Å; S167-S169 PolarHBondContact OG-OG 2.91Å
170K88.3Confident93.5Very high131 Ų13144.9 Ų44.957%0.5725%0.247SC*.G310 helixtrans-85.6-8.3178.8-65.8-170.6177.4-175.90113.8D138 Q145 I168D138-K170 HydrophobicContact CB-CB 3.98Å; D138-K170 HydrophobicContact CB-CD 4.28Å; D138-K170 WeakPolarHBondContact O-CD 3.26Å; Q145-K170 PolarHBondContact NE2-O 3.47Å; Q145-K170 PolarHBondContact OE1-O 2.86Å; I168-K170 PolarHBondContact O-N 3.19Å
171V93.1Very high93.6Very high3 Ų346.1 Ų46.12%0.01826%0.261CS..SBendtrans-89.3129.5178.8-176.90000109.1V137 C165 I168 V175 Q176V137-V171 HydrophobicContact CG1-CG2 4.27Å; C165-V171 HydrophobicContact CB-CG2 4.48Å; I168-V171 PolarHBondContact O-N 3.32Å; V171-V175 HydrophobicContact CG1-CB 3.88Å; V171-V175 HydrophobicContact CG1-CG1 3.8Å; V171-Q176 HydrophobicContact CB-CG 4.19Å; V171-Q176 HydrophobicContact CG1-CG 3.91Å; V171-Q176 PolarHBondContact O-NE2 2.71Å
172I94.6Very high93.6Very high19 Ų1947.2 Ų47.210%0.09727%0.266CS..  trans-62.7140.3-179.464.1175.9000111.2Q145 P174 V175 Q176Q145-I172 HydrophobicContact CB-CD1 3.78Å; Q145-I172 HydrophobicContact CB-CG1 3.98Å; Q145-I172 HydrophobicContact CB-CG2 4.39Å; I172-P174 VanDerWaalsContact C-N 3.28Å; I172-P174 HydrophobicContact CD1-CB 4.45Å; I172-P174 HydrophobicContact CD1-CG 4.48Å; I172-P174 VanDerWaalsContact O-N 3.14Å; I172-V175 HydrophobicContact CD1-CG2 3.92Å; I172-V175 HydrophobicContact CG1-CB 4.05Å; I172-V175 HydrophobicContact CG1-CG2 3.61Å; I172-V175 PolarHBondContact O-N 3.09Å; I172-Q176 PolarHBondContact O-N 3.1Å
173P94.4Very high93.6Very high95 Ų9555.4 Ų55.462%0.61730%0.297SS*.Hα-helixtrans-51.5-36.3179.3-26.433000115.1V175 Q176 S177P173-V175 VanDerWaalsContact C-N 3.3Å; P173-V175 PolarHBondContact O-N 2.66Å; P173-Q176 PolarHBondContact O-N 3.32Å; P173-S177 PolarHBondContact O-N 3.36Å
174P94.1Very high93.5Very high35 Ų3555.4 Ų55.423%0.22730%0.298CS..Hα-helixtrans-60.4-32.8175-27.736.9000115R149 I172 R178R149-P174 HydrophobicContact CG-CB 4.21Å; I172-P174 VanDerWaalsContact C-N 3.28Å; I172-P174 HydrophobicContact CD1-CB 4.45Å; I172-P174 HydrophobicContact CD1-CG 4.48Å; I172-P174 VanDerWaalsContact O-N 3.14Å; P174-R178 WeakPolarHBondContact O-CD 3.47Å; P174-R178 PolarHBondContact O-NH1 3.13Å
175V93.6Very high93.3Very high0 Ų056.6 Ų56.60%031%0.308CS..Hα-helixtrans-76-41.2175.6172.40000109.7R149 M152 L163 V171 I172 P173 S177 R178 C179R149-V175 HydrophobicContact CB-CG2 4.13Å; M152-V175 HydrophobicContact SD-CG1 4.4Å; L163-V175 HydrophobicContact CD1-CG1 3.42Å; L163-V175 VanDerWaalsContact CD1-CG1 3.42Å; V171-V175 HydrophobicContact CG1-CB 3.88Å; V171-V175 HydrophobicContact CG1-CG1 3.8Å; I172-V175 HydrophobicContact CD1-CG2 3.92Å; I172-V175 HydrophobicContact CG1-CB 4.05Å; I172-V175 HydrophobicContact CG1-CG2 3.61Å; I172-V175 PolarHBondContact O-N 3.09Å; P173-V175 VanDerWaalsContact C-N 3.3Å; P173-V175 PolarHBondContact O-N 2.66Å; V175-S177 VanDerWaalsContact C-N 3.33Å; V175-S177 PolarHBondContact O-N 2.82Å; V175-R178 PolarHBondContact O-N 2.93Å; V175-C179 PolarHBondContact O-N 3.48Å
176Q94.2Very high93.3Very high59 Ų5958.3 Ų58.328%0.27632%0.322SS..Hα-helixtrans-58.5-43.9177.2-59.5-177.624.900112L39 I168 V171 I172 P173 R178 C179L39-Q176 HydrophobicContact CD2-CG 4.17Å; I168-Q176 HydrophobicContact CD1-CG 4.26Å; I168-Q176 HydrophobicContact CG1-CG 4.08Å; I168-Q176 PolarHBondContact O-NE2 2.94Å; I168-Q176 VanDerWaalsContact O-NE2 3.16Å; V171-Q176 HydrophobicContact CB-CG 4.19Å; V171-Q176 HydrophobicContact CG1-CG 3.91Å; V171-Q176 PolarHBondContact O-NE2 2.71Å; I172-Q176 PolarHBondContact O-N 3.1Å; P173-Q176 PolarHBondContact O-N 3.32Å; Q176-R178 PolarHBondContact O-N 3.44Å; Q176-C179 PolarHBondContact O-N 2.84Å
177S93Very high93.3Very high100 Ų10054.2 Ų54.270%0.69930%0.304SS*.THydrogen-bonded Turntrans-64.2-20.5-179.7175.90000114.4P173 V175P173-S177 PolarHBondContact O-N 3.36Å; V175-S177 VanDerWaalsContact C-N 3.33Å; V175-S177 PolarHBondContact O-N 2.82Å
178R93Very high93.4Very high76 Ų7654.3 Ų54.329%0.28730%0.304SS..THydrogen-bonded Turntrans-96.2-5.8-178.7-72.6167.2-178.557.213.1113.1M152 E153 P174 V175 Q176M152-R178 HydrophobicContact CE-CB 3.89Å; E153-R178 IonicContact OE1-CZ 3.72Å; E153-R178 IonicContact OE1-NE 2.71Å; E153-R178 PolarHBondContact OE1-NE 3.48Å; E153-R178 IonicContact OE1-NH2 2.94Å; E153-R178 PolarHBondContact OE1-NH2 3.39Å; P174-R178 WeakPolarHBondContact O-CD 3.47Å; P174-R178 PolarHBondContact O-NH1 3.13Å; V175-R178 PolarHBondContact O-N 2.93Å; Q176-R178 PolarHBondContact O-N 3.44Å
179C94.3Very high93.4Very high9 Ų955.2 Ų55.26%0.06131%0.31CS..SBendtrans-118.1147.1-178.3-64.40000110.1H37 L39 M152 V175 Q176 P181H37-C179 HydrophobicContact CB-CB 4.39Å; H37-C179 CarbonylContact O-C 3.48Å; H37-C179 VanDerWaalsContact O-CA 3.31Å; H37-C179 WeakPolarHBondContact O-CA 3.33Å; L39-C179 HydrophobicContact CB-CB 3.63Å; M152-C179 WeakPolarHBondContact CE-SG 3.14Å; V175-C179 PolarHBondContact O-N 3.48Å; Q176-C179 PolarHBondContact O-N 2.84Å; C179-P181 WeakPolarHBondContact O-CD 3.39Å
180L94.4Very high93.5Very high76 Ų7657.4 Ų57.440%0.39831%0.309SS..EExtended strand (participates in β ladder)trans-74.5115.2165.2-177.970000108.9L29 P36 H37 L38 L39 I182L29-L180 HydrophobicContact CD1-CD2 3.28Å; P36-L180 HydrophobicContact CG-CB 4.33Å; P36-L180 HydrophobicContact CG-CD2 4.4Å; H37-L180 PolarHBondContact O-N 3.18Å; L38-L180 HydrophobicContact CD2-CB 3.93Å; L38-L180 HydrophobicContact CD2-CD2 4.02Å; L38-L180 HydrophobicContact CD2-CG 4.47Å; L39-L180 PolarHBondContact N-O 3.23Å; L180-I182 PolarHBondContact O-N 3.36Å
181P94.4Very high93.7Very high71 Ų7154 Ų5446%0.46130%0.295SS..EExtended strand (participates in β ladder)trans-75.1126.1178.330.2-33.6000110.8L39 Y41 C179L39-P181 CarbonylContact O-C 3.51Å; L39-P181 WeakPolarHBondContact O-CA 3.22Å; Y41-P181 HydrophobicContact CE1-CB 3.96Å; C179-P181 WeakPolarHBondContact O-CD 3.39Å
182I94.5Very high93.7Very high22 Ų2253.9 Ų53.911%0.11329%0.294CS..EExtended strand (participates in β ladder)trans-121107.6175.5-58.3-177.3000108.4M22 L26 L38 L39 I40 Y41 L180 V184M22-I182 HydrophobicContact CG-CG2 4.25Å; M22-I182 HydrophobicContact SD-CG2 3.92Å; L26-I182 HydrophobicContact CD2-CD1 3.54Å; L38-I182 HydrophobicContact CD1-CD1 4.1Å; L38-I182 HydrophobicContact CD2-CD1 3.98Å; L39-I182 PolarHBondContact O-N 3.01Å; I40-I182 WeakPolarHBondContact CA-O 3.14Å; I40-I182 HydrophobicContact CG1-CB 4.08Å; I40-I182 HydrophobicContact CG1-CD1 4.48Å; Y41-I182 WeakPolarHBondContact CD1-O 3.44Å; Y41-I182 PolarHBondContact N-O 3.23Å; L180-I182 PolarHBondContact O-N 3.36Å; I182-V184 HydrophobicContact CG2-CG2 4.46Å
183R94.5Very high93.6Very high172 Ų17253.2 Ų53.265%0.64929%0.292SS*.EExtended strand (participates in β ladder)trans-83.3117.6176-173.6179.4175.4-177.2-2.1110.3M22 Y41M22-R183 WeakPolarHBondContact CE-O 3.36Å; Y41-R183 HydrophobicContact CD2-CG 4.39Å; Y41-R183 HydrophobicContact CE1-CB 3.99Å; Y41-R183 HydrophobicContact CE2-CB 3.9Å; Y41-R183 HydrophobicContact CE2-CG 3.75Å
184V94.4Very high93.5Very high1 Ų152.2 Ų52.21%0.00628%0.284CS..  trans-101101.4171.9-174.10000108.6M22 I40 Y41 G42 P43 A46 K48 R51 I182M22-V184 HydrophobicContact SD-CG2 3.9Å; I40-V184 HydrophobicContact CG2-CG2 3.73Å; Y41-V184 PolarHBondContact O-N 3.48Å; G42-V184 WeakPolarHBondContact CA-O 3.36Å; P43-V184 WeakPolarHBondContact CD-O 3.49Å; A46-V184 HydrophobicContact CB-CG1 4.15Å; A46-V184 WeakPolarHBondContact O-CG1 3.28Å; K48-V184 HydrophobicContact CG-CB 3.97Å; K48-V184 HydrophobicContact CG-CG1 4.29Å; K48-V184 HydrophobicContact CG-CG2 4.16Å; R51-V184 VanDerWaalsContact NH1-CG1 3.33Å; I182-V184 HydrophobicContact CG2-CG2 4.46Å
185A93.1Very high93.5Very high38 Ų3851 Ų5131%0.31428%0.275SS..PPolyproline II helixtrans-70.1154.7175.500000111.3H19H19-A185 PolarHBondContact NE2-O 3.38Å
186A93Very high93.4Very high36 Ų3651 Ų5130%0.29828%0.275SS..PPolyproline II helixtrans-59.7142.6167.100000109.7P43P43-A186 HydrophobicContact CG-CB 3.77Å
187P93.1Very high93.3Very high5 Ų550.4 Ų50.43%0.03227%0.272CS..PPolyproline II helixtrans-63.1153.5171.925.6-31.5000111.1Y18 E191 I192 L223Y18-P187 HydrophobicContact CD1-CB 4.43Å; Y18-P187 HydrophobicContact CD2-CB 3.79Å; Y18-P187 HydrophobicContact CD2-CG 4.49Å; Y18-P187 HydrophobicContact CE2-CB 3.94Å; Y18-P187 HydrophobicContact CE2-CG 4.14Å; Y18-P187 HydrophobicContact CG-CB 4.07Å; P187-E191 WeakPolarHBondContact CA-OE2 3.22Å; P187-E191 HydrophobicContact CB-CB 4.12Å; P187-E191 WeakPolarHBondContact CB-OE2 3.4Å; P187-I192 HydrophobicContact CB-CG1 3.99Å; P187-I192 HydrophobicContact CG-CD1 4Å; P187-I192 HydrophobicContact CG-CG1 3.67Å; P187-L223 HydrophobicContact CG-CB 4.35Å
188S93.2Very high93.2Very high52 Ų5249.6 Ų49.636%0.36426%0.258SS..PPolyproline II helixtrans-69.2161173.773.60000111.1E190 E191 I192S188-E190 PolarHBondContact O-N 2.91Å; S188-E191 PolarHBondContact N-OE2 3.46Å; S188-E191 PolarHBondContact O-N 3.36Å; S188-E191 WeakPolarHBondContact OG-CB 3.42Å; S188-E191 VanDerWaalsContact OG-CG 3.28Å; S188-E191 WeakPolarHBondContact OG-CG 3.5Å; S188-E191 PolarHBondContact OG-N 3.21Å; S188-E191 VanDerWaalsContact OG-N 3.12Å; S188-I192 VanDerWaalsContact O-CG1 3.32Å; S188-I192 WeakPolarHBondContact O-CG1 3.31Å; S188-I192 PolarHBondContact O-N 3.1Å
189N92.6Very high93.2Very high63 Ų6346.3 Ų46.334%0.33725%0.246SC..Hα-helixtrans-59.9-37.6177.8-67.7-6.1000111.5I192 A193 A216N189-I192 PolarHBondContact O-N 2.87Å; N189-A193 WeakPolarHBondContact O-CB 3.5Å; N189-A193 PolarHBondContact O-N 2.98Å; N189-A216 HydrophobicContact CB-CB 4.09Å; N189-A216 WeakPolarHBondContact O-CB 3.33Å
190E93Very high93Very high142 Ų14245.9 Ų45.966%0.66424%0.243SC*.Hα-helixtrans-63.8-46.5175.1-63.2170.8-172.700111.8S188 I192 A193 V194S188-E190 PolarHBondContact O-N 2.91Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.06Å; E190-A193 PolarHBondContact O-N 3.4Å; E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 3.11Å
191E92.7Very high92.9Very high61 Ų6149.1 Ų49.129%0.28525%0.254SS..Hα-helixtrans-60.1-41.7176-74.9175.7160.200111.2P187 S188 V194 I195P187-E191 WeakPolarHBondContact CA-OE2 3.22Å; P187-E191 HydrophobicContact CB-CB 4.12Å; P187-E191 WeakPolarHBondContact CB-OE2 3.4Å; S188-E191 PolarHBondContact N-OE2 3.46Å; S188-E191 PolarHBondContact O-N 3.36Å; S188-E191 WeakPolarHBondContact OG-CB 3.42Å; S188-E191 VanDerWaalsContact OG-CG 3.28Å; S188-E191 WeakPolarHBondContact OG-CG 3.5Å; S188-E191 PolarHBondContact OG-N 3.21Å; S188-E191 VanDerWaalsContact OG-N 3.12Å; E191-V194 PolarHBondContact O-N 3.16Å; E191-I195 WeakPolarHBondContact O-CD1 3.24Å; E191-I195 WeakPolarHBondContact O-CG1 3.4Å; E191-I195 PolarHBondContact O-N 3.25Å; E191-I195 VanDerWaalsContact O-N 3.08Å
192I92.8Very high92.7Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-61.8-48.5175.2-65.6167.9000109.9P187 S188 N189 E190 V194 I195 L196 A216 L223 A226P187-I192 HydrophobicContact CB-CG1 3.99Å; P187-I192 HydrophobicContact CG-CD1 4Å; P187-I192 HydrophobicContact CG-CG1 3.67Å; S188-I192 VanDerWaalsContact O-CG1 3.32Å; S188-I192 WeakPolarHBondContact O-CG1 3.31Å; S188-I192 PolarHBondContact O-N 3.1Å; N189-I192 PolarHBondContact O-N 2.87Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.06Å; I192-V194 VanDerWaalsContact C-N 3.32Å; I192-V194 PolarHBondContact O-N 2.97Å; I192-I195 PolarHBondContact O-N 2.8Å; I192-I195 VanDerWaalsContact O-N 3.11Å; I192-L196 HydrophobicContact CG2-CD1 3.87Å; I192-L196 HydrophobicContact CG2-CG 4.04Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.49Å; I192-L196 PolarHBondContact O-N 3.43Å; I192-A216 HydrophobicContact CB-CB 3.97Å; I192-A216 HydrophobicContact CG2-CB 3.78Å; I192-L223 HydrophobicContact CG1-CD1 4.31Å; I192-L223 HydrophobicContact CG2-CD1 4.28Å; I192-A226 HydrophobicContact CG2-CB 3.7Å
193A92.8Very high92.4Very high5 Ų552.2 Ų52.24%0.04126%0.26CS..Hα-helixtrans-58.6-43-179.100000111.9N189 E190 I195 L196 Q197 A212 M213N189-A193 WeakPolarHBondContact O-CB 3.5Å; N189-A193 PolarHBondContact O-N 2.98Å; E190-A193 PolarHBondContact O-N 3.4Å; A193-I195 PolarHBondContact O-N 3.3Å; A193-L196 PolarHBondContact O-N 3.43Å; A193-Q197 WeakPolarHBondContact O-CG 3.4Å; A193-Q197 PolarHBondContact O-N 3.13Å; A193-A212 HydrophobicContact CB-CB 4Å; A193-M213 HydrophobicContact CB-CG 4.3Å; A193-M213 HydrophobicContact CB-SD 3.86Å
194V93.4Very high91.8Very high73 Ų7351 Ų5144%0.44227%0.266SS..Hα-helixtrans-60.9-44.3174.9173.60000111.3E190 E191 I192 Q197 Q198E190-V194 WeakPolarHBondContact O-CG2 3.46Å; E190-V194 PolarHBondContact O-N 3.11Å; E191-V194 PolarHBondContact O-N 3.16Å; I192-V194 VanDerWaalsContact C-N 3.32Å; I192-V194 PolarHBondContact O-N 2.97Å; V194-Q197 PolarHBondContact O-N 3.16Å; V194-Q198 WeakPolarHBondContact O-CG 3.33Å; V194-Q198 PolarHBondContact O-N 2.95Å
195I92.6Very high91.3Very high9 Ų953.8 Ų53.85%0.04628%0.281CS..Hα-helixtrans-64.2-43.9177.8-65.1162.2000110.7D17 Y18 E191 I192 A193 Q197 Q198 V199 L223D17-I195 HydrophobicContact CB-CD1 3.69Å; D17-I195 HydrophobicContact CB-CG1 3.61Å; Y18-I195 HydrophobicContact CD1-CD1 3.74Å; Y18-I195 HydrophobicContact CE1-CD1 4.21Å; E191-I195 WeakPolarHBondContact O-CD1 3.24Å; E191-I195 WeakPolarHBondContact O-CG1 3.4Å; E191-I195 PolarHBondContact O-N 3.25Å; E191-I195 VanDerWaalsContact O-N 3.08Å; I192-I195 PolarHBondContact O-N 2.8Å; I192-I195 VanDerWaalsContact O-N 3.11Å; A193-I195 PolarHBondContact O-N 3.3Å; I195-Q197 VanDerWaalsContact C-N 3.35Å; I195-Q197 PolarHBondContact O-N 3.48Å; I195-Q198 PolarHBondContact O-N 3Å; I195-V199 HydrophobicContact CG2-CG2 4.37Å; I195-V199 WeakPolarHBondContact O-CG2 3.31Å; I195-V199 PolarHBondContact O-N 3.1Å; I195-L223 HydrophobicContact CB-CD1 4.31Å; I195-L223 HydrophobicContact CD1-CD1 4.04Å; I195-L223 HydrophobicContact CD1-CD2 4.08Å; I195-L223 HydrophobicContact CG2-CD1 4.02Å
196L92.2Very high90.7Very high1 Ų156.3 Ų56.31%0.00529%0.294CS..Hα-helixtrans-61.1-43.8177.8-66.5178.8000111.3I192 A193 Q198 V199 A200 A212 I215 A226 V227 L230I192-L196 HydrophobicContact CG2-CD1 3.87Å; I192-L196 HydrophobicContact CG2-CG 4.04Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.49Å; I192-L196 PolarHBondContact O-N 3.43Å; A193-L196 PolarHBondContact O-N 3.43Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.21Å; L196-V199 PolarHBondContact O-N 3.31Å; L196-A200 WeakPolarHBondContact O-CB 3.41Å; L196-A200 PolarHBondContact O-N 2.92Å; L196-A212 HydrophobicContact CB-CB 4.43Å; L196-I215 HydrophobicContact CD1-CB 3.98Å; L196-I215 HydrophobicContact CD1-CG2 3.71Å; L196-A226 HydrophobicContact CD1-CB 4.32Å; L196-A226 HydrophobicContact CD2-CB 4.01Å; L196-V227 HydrophobicContact CD2-CG2 4.13Å; L196-L230 HydrophobicContact CB-CD1 4.13Å; L196-L230 HydrophobicContact CB-CD2 4.26Å; L196-L230 HydrophobicContact CD1-CD1 4.49Å; L196-L230 HydrophobicContact CD2-CB 4.05Å; L196-L230 HydrophobicContact CD2-CD1 4.21Å; L196-L230 HydrophobicContact CD2-CD2 3.92Å; L196-L230 HydrophobicContact CD2-CG 4.31Å
197Q92.1Very high90.2Very high47 Ų4755.7 Ų55.722%0.2229%0.286CS..Hα-helixtrans-61.5-39.7174.9-73.1178.1200112.2A193 V194 I195 K201 A212A193-Q197 WeakPolarHBondContact O-CG 3.4Å; A193-Q197 PolarHBondContact O-N 3.13Å; V194-Q197 PolarHBondContact O-N 3.16Å; I195-Q197 VanDerWaalsContact C-N 3.35Å; I195-Q197 PolarHBondContact O-N 3.48Å; Q197-K201 WeakPolarHBondContact O-CB 3.48Å; Q197-K201 VanDerWaalsContact O-CG 3.22Å; Q197-K201 WeakPolarHBondContact O-CG 3.3Å; Q197-K201 PolarHBondContact O-N 2.82Å; Q197-A212 HydrophobicContact CG-CB 4.31Å
198Q92.1Very high89.9Confident83 Ų8359.1 Ų59.139%0.38831%0.307SS..Hα-helixtrans-67.3-40.4176.9-71.8176.89.500112.3V194 I195 L196 K202V194-Q198 WeakPolarHBondContact O-CG 3.33Å; V194-Q198 PolarHBondContact O-N 2.95Å; I195-Q198 PolarHBondContact O-N 3Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.21Å; Q198-K202 WeakPolarHBondContact O-CG 2.83Å; Q198-K202 PolarHBondContact O-N 3.04Å
199V92.1Very high89.7Confident7 Ų763.3 Ų63.34%0.04232%0.32CS..Hα-helixtrans-64.8-46.3175.1171.20000110.2W4 H8 I195 L196 K201 K202 E203 L230W4-V199 HydrophobicContact CE3-CG1 4.12Å; H8-V199 HydrophobicContact CB-CG2 4.02Å; I195-V199 HydrophobicContact CG2-CG2 4.37Å; I195-V199 WeakPolarHBondContact O-CG2 3.31Å; I195-V199 PolarHBondContact O-N 3.1Å; L196-V199 PolarHBondContact O-N 3.31Å; V199-K201 PolarHBondContact O-N 3.14Å; V199-K202 PolarHBondContact O-N 3.21Å; V199-K202 VanDerWaalsContact O-N 3.09Å; V199-E203 PolarHBondContact O-N 2.87Å; V199-L230 HydrophobicContact CB-CD2 4.16Å; V199-L230 HydrophobicContact CG1-CD2 3.92Å
200A90.6Very high89.4Confident0 Ų066.3 Ų66.30%033%0.332CS..Hα-helixtrans-58.6-43.2177.300000112.5L196 K202 E203 D204 N205 I207 L230L196-A200 WeakPolarHBondContact O-CB 3.41Å; L196-A200 PolarHBondContact O-N 2.92Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.18Å; A200-E203 PolarHBondContact O-N 3.15Å; A200-D204 PolarHBondContact O-N 2.83Å; A200-N205 WeakPolarHBondContact CB-O 3.49Å; A200-N205 CarbonylContact O-C 3.48Å; A200-N205 PolarHBondContact O-N 2.85Å; A200-I207 HydrophobicContact CB-CB 4.32Å; A200-I207 HydrophobicContact CB-CD1 3.92Å; A200-I207 HydrophobicContact CB-CG1 4.17Å; A200-L230 HydrophobicContact CB-CD2 4.43Å
201K90.8Very high89.1Confident144 Ų14460.7 Ų60.763%0.62631%0.307SS*.Hα-helixtrans-63.8-31.8174.8-76.4175.1-174.8-178.90113.2Q197 V199Q197-K201 WeakPolarHBondContact O-CB 3.48Å; Q197-K201 VanDerWaalsContact O-CG 3.22Å; Q197-K201 WeakPolarHBondContact O-CG 3.3Å; Q197-K201 PolarHBondContact O-N 2.82Å; V199-K201 PolarHBondContact O-N 3.14Å
202K90.2Very high88.9Confident126 Ų12657.8 Ų57.855%0.54829%0.293SS..Hα-helixtrans-79.7-19178.7-72172.5-175.9171.10113.6H8 Q198 V199 A200H8-K202 WeakPolarHBondContact ND1-CD 3.03Å; Q198-K202 WeakPolarHBondContact O-CG 2.83Å; Q198-K202 PolarHBondContact O-N 3.04Å; V199-K202 PolarHBondContact O-N 3.21Å; V199-K202 VanDerWaalsContact O-N 3.09Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.18Å
203E88.7Confident88.8Confident32 Ų3260.5 Ų60.515%0.1531%0.307CS..THydrogen-bonded Turntrans-105.522.6177.7-60.6-66.1150.300111.8W4 K7 H8 V199 A200 N205W4-E203 HydrophobicContact CD2-CG 3.86Å; W4-E203 HydrophobicContact CE3-CG 4.13Å; W4-E203 HydrophobicContact CG-CG 4.47Å; W4-E203 HydrophobicContact CH2-CB 3.73Å; W4-E203 HydrophobicContact CH2-CG 3.96Å; W4-E203 HydrophobicContact CZ2-CB 3.69Å; W4-E203 HydrophobicContact CZ2-CG 3.69Å; W4-E203 HydrophobicContact CZ3-CB 4.25Å; W4-E203 HydrophobicContact CZ3-CG 4.18Å; K7-E203 WeakPolarHBondContact CD-OE1 3.41Å; K7-E203 VanDerWaalsContact CE-OE1 3.25Å; K7-E203 WeakPolarHBondContact CE-OE1 3.16Å; K7-E203 VanDerWaalsContact NZ-CD 3.29Å; K7-E203 IonicContact NZ-OE1 3.2Å; K7-E203 PolarHBondContact NZ-OE1 3.27Å; K7-E203 IonicContact NZ-OE2 3.63Å; K7-E203 PolarHBondContact NZ-OE2 3.37Å; H8-E203 IonicContact CD2-OE1 2.66Å; H8-E203 IonicContact CE1-OE1 2.74Å; H8-E203 PolarHBondContact CE1-OE1 3.4Å; H8-E203 VanDerWaalsContact CE1-OE1 3.32Å; H8-E203 IonicContact NE2-OE1 3.85Å; H8-E203 PolarHBondContact NE2-OE1 3.22Å; V199-E203 PolarHBondContact O-N 2.87Å; A200-E203 PolarHBondContact O-N 3.15Å; E203-N205 PolarHBondContact O-N 3.35Å; E203-N205 PolarHBondContact O-ND2 3.17Å
204D83Confident88.6Confident146 Ų14661.2 Ų61.278%0.78131%0.31SS*.THydrogen-bonded Turntrans53.723.3177.6-59.7-44.3000115.3A200 P206A200-D204 PolarHBondContact O-N 2.83Å; D204-P206 WeakPolarHBondContact O-CD 3.42Å
205N82.2Confident88.4Confident60 Ų6057.8 Ų57.832%0.32129%0.29SS..  trans-124.278.6-178.5-80.4-63.7000110.4A200 E203 I207A200-N205 WeakPolarHBondContact CB-O 3.49Å; A200-N205 CarbonylContact O-C 3.48Å; A200-N205 PolarHBondContact O-N 2.85Å; E203-N205 PolarHBondContact O-N 3.35Å; E203-N205 PolarHBondContact O-ND2 3.17Å; N205-I207 PolarHBondContact O-N 3.49Å
206P81.4Confident88.4Confident91 Ų9157.4 Ų57.459%0.59129%0.287SS*.  trans-62.6138.8179.126.6-33.7000111D204 K237D204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-K237 PolarHBondContact O-NZ 3.4Å
207I82.8Confident88.3Confident23 Ų2363.3 Ų63.312%0.11832%0.315CS..  trans-120.1146-178.2-71.4171000107.8A200 N205 D211 L230 F233A200-I207 HydrophobicContact CB-CB 4.32Å; A200-I207 HydrophobicContact CB-CD1 3.92Å; A200-I207 HydrophobicContact CB-CG1 4.17Å; N205-I207 PolarHBondContact O-N 3.49Å; I207-D211 HydrophobicContact CG2-CB 3.43Å; I207-D211 VanDerWaalsContact CG2-CB 3.43Å; I207-L230 HydrophobicContact CD1-CD1 3.21Å; I207-L230 HydrophobicContact CD1-CD2 4.5Å; I207-L230 HydrophobicContact CD1-CG 3.85Å; I207-F233 HydrophobicContact CD1-CD1 4.09Å; I207-F233 HydrophobicContact CD1-CE1 4.38Å; I207-F233 HydrophobicContact CG1-CE1 4.33Å
208T86.7Confident88Confident77 Ų7765.2 Ų65.247%0.47232%0.323SS..  trans-73.7158179.379.80000110.7H210 D211 A212T208-H210 VanDerWaalsContact C-N 3.29Å; T208-H210 PolarHBondContact O-N 3.13Å; T208-D211 WeakPolarHBondContact CB-OD2 3.48Å; T208-D211 PolarHBondContact N-OD2 2.84Å; T208-D211 WeakPolarHBondContact O-CB 3.5Å; T208-D211 PolarHBondContact O-N 2.99Å; T208-D211 PolarHBondContact OG1-N 3.32Å; T208-D211 PolarHBondContact OG1-OD1 3.41Å; T208-D211 PolarHBondContact OG1-OD2 3.13Å; T208-A212 PolarHBondContact O-N 3.33Å
209E87.8Confident87.6Confident139 Ų13961.9 Ų61.965%0.6531%0.308SS*.Hα-helixtrans-62.6-37.8179.7-174.7173-175.100112.6D211 A212 M213E209-D211 VanDerWaalsContact C-N 3.3Å; E209-D211 PolarHBondContact O-N 3.11Å; E209-A212 PolarHBondContact O-N 3.49Å; E209-M213 WeakPolarHBondContact O-CG 3.32Å; E209-M213 PolarHBondContact O-N 3.01Å
210H87.7Confident87.2Confident127 Ų12764.8 Ų64.859%0.58834%0.339SS*.Hα-helixtrans-58.2-43.2176177.2-88.2000112.1T208 M213 T214T208-H210 VanDerWaalsContact C-N 3.29Å; T208-H210 PolarHBondContact O-N 3.13Å; H210-M213 PolarHBondContact O-N 3.49Å; H210-T214 WeakPolarHBondContact O-CB 3.24Å; H210-T214 PolarHBondContact O-N 2.91Å; H210-T214 PolarHBondContact O-OG1 3.36Å
211D86.2Confident87Confident24 Ų2465.1 Ų65.113%0.12834%0.343CS..Hα-helixtrans-66.7-43-179.2-53.1-18.6000111.1I207 T208 E209 M213 T214 I215 I242I207-D211 HydrophobicContact CG2-CB 3.43Å; I207-D211 VanDerWaalsContact CG2-CB 3.43Å; T208-D211 WeakPolarHBondContact CB-OD2 3.48Å; T208-D211 PolarHBondContact N-OD2 2.84Å; T208-D211 WeakPolarHBondContact O-CB 3.5Å; T208-D211 PolarHBondContact O-N 2.99Å; T208-D211 PolarHBondContact OG1-N 3.32Å; T208-D211 PolarHBondContact OG1-OD1 3.41Å; T208-D211 PolarHBondContact OG1-OD2 3.13Å; E209-D211 VanDerWaalsContact C-N 3.3Å; E209-D211 PolarHBondContact O-N 3.11Å; D211-M213 VanDerWaalsContact C-N 3.35Å; D211-T214 PolarHBondContact O-N 3.31Å; D211-I215 VanDerWaalsContact O-CG1 3.31Å; D211-I215 WeakPolarHBondContact O-CG1 3.37Å; D211-I215 PolarHBondContact O-N 3.44Å; D211-I242 HydrophobicContact CB-CD1 3.28Å; D211-I242 HydrophobicContact CB-CG1 4.5Å; D211-I242 WeakPolarHBondContact OD1-CD1 3.49Å; D211-I242 VanDerWaalsContact OD2-CD1 3.3Å; D211-I242 WeakPolarHBondContact OD2-CD1 3.44Å
212A88.9Confident87Confident0 Ų059.7 Ų59.70%032%0.321CS..Hα-helixtrans-63.8-40.917700000111.5A193 L196 Q197 T208 E209 I215 A216A193-A212 HydrophobicContact CB-CB 4Å; L196-A212 HydrophobicContact CB-CB 4.43Å; Q197-A212 HydrophobicContact CG-CB 4.31Å; T208-A212 PolarHBondContact O-N 3.33Å; E209-A212 PolarHBondContact O-N 3.49Å; A212-I215 PolarHBondContact O-N 3.03Å; A212-A216 WeakPolarHBondContact O-CB 3.15Å; A212-A216 PolarHBondContact O-N 3.09Å
213M90.6Very high87.1Confident57 Ų5754.8 Ų54.828%0.28130%0.3SS..Hα-helixtrans-64.5-43.8174.7-75.5-65.9-73.300111.9A193 E209 H210 D211 I215 A216 E217A193-M213 HydrophobicContact CB-CG 4.3Å; A193-M213 HydrophobicContact CB-SD 3.86Å; E209-M213 WeakPolarHBondContact O-CG 3.32Å; E209-M213 PolarHBondContact O-N 3.01Å; H210-M213 PolarHBondContact O-N 3.49Å; D211-M213 VanDerWaalsContact C-N 3.35Å; M213-I215 VanDerWaalsContact C-N 3.31Å; M213-I215 PolarHBondContact O-N 3.12Å; M213-A216 WeakPolarHBondContact O-CB 3.43Å; M213-A216 PolarHBondContact O-N 2.95Å; M213-A216 VanDerWaalsContact O-N 3.11Å; M213-E217 WeakPolarHBondContact O-CG 3.4Å; M213-E217 PolarHBondContact O-N 3.37Å
214T89.2Confident87.3Confident20 Ų2058.9 Ų58.912%0.12331%0.314CS..Hα-helixtrans-59.9-41.3177-570000111.7H210 D211 K218 I242H210-T214 WeakPolarHBondContact O-CB 3.24Å; H210-T214 PolarHBondContact O-N 2.91Å; H210-T214 PolarHBondContact O-OG1 3.36Å; D211-T214 PolarHBondContact O-N 3.31Å; T214-K218 HydrophobicContact CG2-CD 4.37Å; T214-K218 WeakPolarHBondContact O-CG 3.32Å; T214-K218 PolarHBondContact O-N 3.38Å; T214-K218 VanDerWaalsContact O-N 3.13Å; T214-I242 HydrophobicContact CG2-CG2 4.12Å
215I89.5Confident87.6Confident1 Ų155.1 Ų55.11%0.00529%0.289CS..Hα-helixtrans-67.1-40.9175.5-65.8169.1000110.9L196 D211 A212 M213 K218 T219 A226 A229 L230 L247L196-I215 HydrophobicContact CD1-CB 3.98Å; L196-I215 HydrophobicContact CD1-CG2 3.71Å; D211-I215 VanDerWaalsContact O-CG1 3.31Å; D211-I215 WeakPolarHBondContact O-CG1 3.37Å; D211-I215 PolarHBondContact O-N 3.44Å; A212-I215 PolarHBondContact O-N 3.03Å; M213-I215 VanDerWaalsContact C-N 3.31Å; M213-I215 PolarHBondContact O-N 3.12Å; I215-K218 PolarHBondContact O-N 2.86Å; I215-T219 HydrophobicContact CG2-CG2 4.48Å; I215-T219 WeakPolarHBondContact O-CB 3.46Å; I215-T219 VanDerWaalsContact O-CG2 3.31Å; I215-T219 WeakPolarHBondContact O-CG2 3.46Å; I215-T219 PolarHBondContact O-N 2.85Å; I215-T219 VanDerWaalsContact O-N 3.17Å; I215-T219 PolarHBondContact O-OG1 2.96Å; I215-A226 HydrophobicContact CG2-CB 4.33Å; I215-A229 HydrophobicContact CG2-CB 4.04Å; I215-L230 HydrophobicContact CD1-CD1 3.8Å; I215-L247 HydrophobicContact CD1-CD2 4.42Å; I215-L247 HydrophobicContact CG1-CD1 4.36Å; I215-L247 HydrophobicContact CG1-CD2 4.08Å
216A91.2Very high88.1Confident0 Ų052.2 Ų52.20%027%0.274CS..Hα-helixtrans-61.9-44.5178.300000111.8N189 I192 A212 M213 T219 G220N189-A216 HydrophobicContact CB-CB 4.09Å; N189-A216 WeakPolarHBondContact O-CB 3.33Å; I192-A216 HydrophobicContact CB-CB 3.97Å; I192-A216 HydrophobicContact CG2-CB 3.78Å; A212-A216 WeakPolarHBondContact O-CB 3.15Å; A212-A216 PolarHBondContact O-N 3.09Å; M213-A216 WeakPolarHBondContact O-CB 3.43Å; M213-A216 PolarHBondContact O-N 2.95Å; M213-A216 VanDerWaalsContact O-N 3.11Å; A216-T219 PolarHBondContact O-N 3.06Å; A216-T219 PolarHBondContact O-OG1 2.98Å; A216-G220 PolarHBondContact O-N 3.01Å
217E89.7Confident88.6Confident125 Ų12548.4 Ų48.458%0.58425%0.249SC*.Hα-helixtrans-62.8-48.2177.3-72.6178.8179.500112.3M213 T219 G220M213-E217 WeakPolarHBondContact O-CG 3.4Å; M213-E217 PolarHBondContact O-N 3.37Å; E217-T219 PolarHBondContact O-N 3.23Å; E217-G220 PolarHBondContact O-N 2.87Å
218K86.1Confident88.9Confident87 Ų8750.3 Ų50.338%0.37826%0.259SS..Hα-helixtrans-62.2-27.9179.8-74.7179179.7178.20113.1T214 I215 L247T214-K218 HydrophobicContact CG2-CD 4.37Å; T214-K218 WeakPolarHBondContact O-CG 3.32Å; T214-K218 PolarHBondContact O-N 3.38Å; T214-K218 VanDerWaalsContact O-N 3.13Å; I215-K218 PolarHBondContact O-N 2.86Å; K218-L247 HydrophobicContact CD-CB 4.43Å; K218-L247 HydrophobicContact CD-CD1 3.62Å
219T84.6Confident89Confident13 Ų1347 Ų478%0.0824%0.239CC..Hα-helixtrans-92.5-7-175.256.20000114.8I215 A216 E217 G221 N222 R225 A226I215-T219 HydrophobicContact CG2-CG2 4.48Å; I215-T219 WeakPolarHBondContact O-CB 3.46Å; I215-T219 VanDerWaalsContact O-CG2 3.31Å; I215-T219 WeakPolarHBondContact O-CG2 3.46Å; I215-T219 PolarHBondContact O-N 2.85Å; I215-T219 VanDerWaalsContact O-N 3.17Å; I215-T219 PolarHBondContact O-OG1 2.96Å; A216-T219 PolarHBondContact O-N 3.06Å; A216-T219 PolarHBondContact O-OG1 2.98Å; E217-T219 PolarHBondContact O-N 3.23Å; T219-G221 VanDerWaalsContact C-N 3.34Å; T219-G221 PolarHBondContact O-N 3.06Å; T219-N222 WeakPolarHBondContact O-CB 3.34Å; T219-N222 PolarHBondContact O-N 2.71Å; T219-N222 VanDerWaalsContact O-N 3.15Å; T219-R225 HydrophobicContact CG2-CB 3.93Å; T219-A226 HydrophobicContact CG2-CB 4.26Å
220G83.7Confident89.1Confident68 Ų6840.3 Ų40.370%0.70121%0.208SC*.THydrogen-bonded Turntrans57.340.7169.200000114.2A216 E217A216-G220 PolarHBondContact O-N 3.01Å; E217-G220 PolarHBondContact O-N 2.87Å
221G85.7Confident89.2Confident8 Ų836 Ų368%0.08219%0.188CC..THydrogen-bonded Turntrans85.14.2179.200000115.4T219 L223T219-G221 VanDerWaalsContact C-N 3.34Å; T219-G221 PolarHBondContact O-N 3.06Å; G221-L223 PolarHBondContact O-N 3.41Å
222N91.6Very high89.2Confident29 Ų2937.5 Ų37.516%0.15520%0.198CC..  trans-92.594.6177.9-171.3-31.5000111.5G45 T219 R224 R225 A226G45-N222 WeakPolarHBondContact CA-OD1 3.26Å; T219-N222 WeakPolarHBondContact O-CB 3.34Å; T219-N222 PolarHBondContact O-N 2.71Å; T219-N222 VanDerWaalsContact O-N 3.15Å; N222-R224 VanDerWaalsContact C-N 3.26Å; N222-R224 PolarHBondContact O-N 2.9Å; N222-R224 WeakPolarHBondContact OD1-CB 3.29Å; N222-R224 PolarHBondContact OD1-N 3.32Å; N222-R225 HydrophobicContact CB-CB 4.09Å; N222-R225 HydrophobicContact CB-CG 4.17Å; N222-R225 WeakPolarHBondContact O-CB 3.45Å; N222-R225 PolarHBondContact O-N 3.26Å; N222-R225 PolarHBondContact OD1-N 2.97Å; N222-R225 VanDerWaalsContact OD1-N 3.14Å; N222-A226 PolarHBondContact O-N 2.8Å
223L92.2Very high88.9Confident23 Ų2337.9 Ų37.912%0.1220%0.2CC..Hα-helixtrans-59.4-34.1-177.6-174.564.4000113.6Y18 G45 P187 I192 I195 G221 A226 V227Y18-L223 HydrophobicContact CE1-CD2 3.7Å; G45-L223 WeakPolarHBondContact O-CB 3.49Å; P187-L223 HydrophobicContact CG-CB 4.35Å; I192-L223 HydrophobicContact CG1-CD1 4.31Å; I192-L223 HydrophobicContact CG2-CD1 4.28Å; I195-L223 HydrophobicContact CB-CD1 4.31Å; I195-L223 HydrophobicContact CD1-CD1 4.04Å; I195-L223 HydrophobicContact CD1-CD2 4.08Å; I195-L223 HydrophobicContact CG2-CD1 4.02Å; G221-L223 PolarHBondContact O-N 3.41Å; L223-A226 PolarHBondContact O-N 3.45Å; L223-V227 HydrophobicContact CD1-CG2 4.44Å; L223-V227 WeakPolarHBondContact O-CG2 3.33Å; L223-V227 PolarHBondContact O-N 3.5Å
224R92Very high88.6Confident118 Ų11835.9 Ų35.945%0.44519%0.191SC..Hα-helixtrans-61.7-46.5175.6179.2-174.6-62.4159.7-0.7110.6V5 N222 A226 V227 L228V5-R224 HydrophobicContact CG1-CG 4.06Å; N222-R224 VanDerWaalsContact C-N 3.26Å; N222-R224 PolarHBondContact O-N 2.9Å; N222-R224 WeakPolarHBondContact OD1-CB 3.29Å; N222-R224 PolarHBondContact OD1-N 3.32Å; R224-A226 VanDerWaalsContact C-N 3.32Å; R224-V227 PolarHBondContact O-N 3.11Å; R224-L228 HydrophobicContact CG-CD1 4.22Å; R224-L228 WeakPolarHBondContact O-CG 3.46Å; R224-L228 PolarHBondContact O-N 3.11Å; R224-L228 VanDerWaalsContact O-N 3.13Å
225R90.2Very high88.3Confident67 Ų6740.2 Ų40.225%0.25322%0.218SC..Hα-helixtrans-64.9-39.2177.2-71.7-176.964163.50.9111.3T219 N222 V227 L228 A229 E252T219-R225 HydrophobicContact CG2-CB 3.93Å; N222-R225 HydrophobicContact CB-CB 4.09Å; N222-R225 HydrophobicContact CB-CG 4.17Å; N222-R225 WeakPolarHBondContact O-CB 3.45Å; N222-R225 PolarHBondContact O-N 3.26Å; N222-R225 PolarHBondContact OD1-N 2.97Å; N222-R225 VanDerWaalsContact OD1-N 3.14Å; R225-V227 PolarHBondContact O-N 3.01Å; R225-L228 PolarHBondContact O-N 3.3Å; R225-A229 VanDerWaalsContact O-CB 3.24Å; R225-A229 WeakPolarHBondContact O-CB 3.43Å; R225-A229 PolarHBondContact O-N 3.01Å; R225-E252 IonicContact CZ-OE1 3.62Å; R225-E252 IonicContact CZ-OE2 2.73Å; R225-E252 IonicContact NH1-OE1 2.59Å; R225-E252 PolarHBondContact NH1-OE1 2.97Å; R225-E252 IonicContact NH1-OE2 2.78Å; R225-E252 IonicContact NH2-OE1 3.01Å; R225-E252 PolarHBondContact NH2-OE1 2.91Å; R225-E252 IonicContact NH2-OE2 2.74Å; R225-E252 PolarHBondContact NH2-OE2 3.34Å
226A91.6Very high87.7Confident0 Ų043.7 Ų43.70%023%0.233CC..Hα-helixtrans-58.9-47177.200000112.1I192 L196 I215 T219 N222 L223 R224 A229 L230I192-A226 HydrophobicContact CG2-CB 3.7Å; L196-A226 HydrophobicContact CD1-CB 4.32Å; L196-A226 HydrophobicContact CD2-CB 4.01Å; I215-A226 HydrophobicContact CG2-CB 4.33Å; T219-A226 HydrophobicContact CG2-CB 4.26Å; N222-A226 PolarHBondContact O-N 2.8Å; L223-A226 PolarHBondContact O-N 3.45Å; R224-A226 VanDerWaalsContact C-N 3.32Å; A226-A229 PolarHBondContact O-N 3.26Å; A226-L230 WeakPolarHBondContact O-CB 3.35Å; A226-L230 PolarHBondContact O-N 3.34Å
227V92Very high86.7Confident11 Ų1147.7 Ų47.77%0.06725%0.251CS..Hα-helixtrans-68.9-37178.9176.90000112.1W4 V5 L196 L223 R224 R225 L230 E231W4-V227 HydrophobicContact CB-CG1 4.07Å; V5-V227 HydrophobicContact CB-CG1 4.42Å; V5-V227 HydrophobicContact CG2-CB 3.98Å; V5-V227 HydrophobicContact CG2-CG1 3.73Å; L196-V227 HydrophobicContact CD2-CG2 4.13Å; L223-V227 HydrophobicContact CD1-CG2 4.44Å; L223-V227 WeakPolarHBondContact O-CG2 3.33Å; L223-V227 PolarHBondContact O-N 3.5Å; R224-V227 PolarHBondContact O-N 3.11Å; R225-V227 PolarHBondContact O-N 3.01Å; V227-L230 WeakPolarHBondContact O-CB 3.46Å; V227-L230 PolarHBondContact O-N 3.49Å; V227-E231 PolarHBondContact O-N 3.49Å
228L91Very high85.3Confident63 Ų6349 Ų4933%0.3326%0.262SS..Hα-helixtrans-67.9-39.2174.8-70.7172.4000112.5F3 V5 R224 R225 L230 E231 T232F3-L228 HydrophobicContact CD1-CD2 4.22Å; V5-L228 HydrophobicContact CG2-CD2 3.57Å; V5-L228 HydrophobicContact CG2-CG 3.63Å; R224-L228 HydrophobicContact CG-CD1 4.22Å; R224-L228 WeakPolarHBondContact O-CG 3.46Å; R224-L228 PolarHBondContact O-N 3.11Å; R224-L228 VanDerWaalsContact O-N 3.13Å; R225-L228 PolarHBondContact O-N 3.3Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-E231 PolarHBondContact O-N 3.48Å; L228-T232 WeakPolarHBondContact O-CB 3.49Å; L228-T232 PolarHBondContact O-N 3.45Å; L228-T232 PolarHBondContact O-OG1 2.86Å
229A88.8Confident83.9Confident6 Ų651.5 Ų51.55%0.0528%0.28CS..Hα-helixtrans-65.3-37.117500000110.8I215 R225 A226 T232 F233 L247I215-A229 HydrophobicContact CG2-CB 4.04Å; R225-A229 VanDerWaalsContact O-CB 3.24Å; R225-A229 WeakPolarHBondContact O-CB 3.43Å; R225-A229 PolarHBondContact O-N 3.01Å; A226-A229 PolarHBondContact O-N 3.26Å; A229-T232 PolarHBondContact O-N 3.18Å; A229-F233 VanDerWaalsContact O-CB 3.27Å; A229-F233 WeakPolarHBondContact O-CB 3.44Å; A229-F233 PolarHBondContact O-N 3.09Å; A229-L247 HydrophobicContact CB-CD2 4.03Å
230L89.2Confident82.7Confident0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-61.7-49.1171.9-163.977.6000112.1L196 V199 A200 I207 I215 A226 V227 L228 T232 F233 C234L196-L230 HydrophobicContact CB-CD1 4.13Å; L196-L230 HydrophobicContact CB-CD2 4.26Å; L196-L230 HydrophobicContact CD1-CD1 4.49Å; L196-L230 HydrophobicContact CD2-CB 4.05Å; L196-L230 HydrophobicContact CD2-CD1 4.21Å; L196-L230 HydrophobicContact CD2-CD2 3.92Å; L196-L230 HydrophobicContact CD2-CG 4.31Å; V199-L230 HydrophobicContact CB-CD2 4.16Å; V199-L230 HydrophobicContact CG1-CD2 3.92Å; A200-L230 HydrophobicContact CB-CD2 4.43Å; I207-L230 HydrophobicContact CD1-CD1 3.21Å; I207-L230 HydrophobicContact CD1-CD2 4.5Å; I207-L230 HydrophobicContact CD1-CG 3.85Å; I215-L230 HydrophobicContact CD1-CD1 3.8Å; A226-L230 WeakPolarHBondContact O-CB 3.35Å; A226-L230 PolarHBondContact O-N 3.34Å; V227-L230 WeakPolarHBondContact O-CB 3.46Å; V227-L230 PolarHBondContact O-N 3.49Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 2.93Å; L230-F233 PolarHBondContact O-N 3.24Å; L230-C234 PolarHBondContact O-N 3.03Å; L230-C234 PolarHBondContact O-SG 3.17Å; L230-C234 VanDerWaalsContact O-SG 3.38Å
231E88.6Confident81.7Confident37 Ų3754.2 Ų54.217%0.17329%0.286CS..Hα-helixtrans-59.3-45178.3-173.5171.8178.800110.3W4 V227 L228 F233 C234 V235W4-E231 HydrophobicContact CD2-CB 4.12Å; W4-E231 HydrophobicContact CD2-CG 3.92Å; W4-E231 HydrophobicContact CE3-CB 3.94Å; W4-E231 HydrophobicContact CE3-CG 4.23Å; W4-E231 HydrophobicContact CG-CB 4.45Å; W4-E231 HydrophobicContact CG-CG 4.1Å; W4-E231 HydrophobicContact CZ3-CB 4.48Å; W4-E231 PolarHBondContact N-OE2 2.97Å; W4-E231 VanDerWaalsContact N-OE2 3.09Å; V227-E231 PolarHBondContact O-N 3.49Å; L228-E231 PolarHBondContact O-N 3.48Å; E231-F233 PolarHBondContact O-N 2.82Å; E231-C234 PolarHBondContact O-N 3.29Å; E231-V235 VanDerWaalsContact O-CG2 3.31Å; E231-V235 WeakPolarHBondContact O-CG2 3.29Å; E231-V235 PolarHBondContact O-N 3.42Å; E231-V235 VanDerWaalsContact O-N 3.13Å
232T86.7Confident80.4Confident54 Ų5454.6 Ų54.633%0.33129%0.286SS..Hα-helixtrans-61.6-44.3175-530000111.4L228 A229 L230 V235 H236L228-T232 WeakPolarHBondContact O-CB 3.49Å; L228-T232 PolarHBondContact O-N 3.45Å; L228-T232 PolarHBondContact O-OG1 2.86Å; A229-T232 PolarHBondContact O-N 3.18Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 2.93Å; T232-V235 PolarHBondContact O-N 3.37Å; T232-H236 PolarHBondContact O-N 3.33Å; T232-H236 PolarHBondContact O-ND1 2.69Å
233F83.9Confident78.8Confident9 Ų959.3 Ų59.34%0.03931%0.311CS..Hα-helixtrans-62.7-45178.4176.6-112.4000112.1I207 A229 L230 E231 V235 H236 K237 I242 A245 L247I207-F233 HydrophobicContact CD1-CD1 4.09Å; I207-F233 HydrophobicContact CD1-CE1 4.38Å; I207-F233 HydrophobicContact CG1-CE1 4.33Å; A229-F233 VanDerWaalsContact O-CB 3.27Å; A229-F233 WeakPolarHBondContact O-CB 3.44Å; A229-F233 PolarHBondContact O-N 3.09Å; L230-F233 PolarHBondContact O-N 3.24Å; E231-F233 PolarHBondContact O-N 2.82Å; F233-V235 VanDerWaalsContact C-N 3.31Å; F233-V235 PolarHBondContact O-N 2.98Å; F233-H236 CarbonylContact O-C 3.53Å; F233-H236 PolarHBondContact O-N 2.96Å; F233-H236 VanDerWaalsContact O-N 3.13Å; F233-K237 HydrophobicContact CZ-CG 4.42Å; F233-K237 PolarHBondContact O-N 3.48Å; F233-I242 HydrophobicContact CD2-CG1 3.81Å; F233-I242 HydrophobicContact CE1-CD1 4.01Å; F233-I242 HydrophobicContact CE1-CG1 3.97Å; F233-I242 HydrophobicContact CE2-CB 4.26Å; F233-I242 HydrophobicContact CE2-CD1 3.93Å; F233-I242 HydrophobicContact CE2-CG1 3.05Å; F233-I242 HydrophobicContact CZ-CD1 3.46Å; F233-I242 VanDerWaalsContact CZ-CD1 3.46Å; F233-I242 HydrophobicContact CZ-CG1 3.15Å; F233-A245 HydrophobicContact CD2-CB 3.92Å; F233-A245 HydrophobicContact CE2-CB 4.47Å; F233-L247 HydrophobicContact CB-CD2 4.15Å
234C82.8Confident77Confident15 Ų1566.7 Ų66.710%0.10134%0.342CS..Hα-helixtrans-60.3-39.4177.5-73.60000112.5W4 L230 E231 H236 K237W4-C234 HydrophobicContact CH2-CB 3.67Å; W4-C234 HydrophobicContact CZ3-CB 4.06Å; L230-C234 PolarHBondContact O-N 3.03Å; L230-C234 PolarHBondContact O-SG 3.17Å; L230-C234 VanDerWaalsContact O-SG 3.38Å; E231-C234 PolarHBondContact O-N 3.29Å; C234-H236 VanDerWaalsContact C-N 3.29Å; C234-H236 PolarHBondContact O-N 2.81Å; C234-K237 WeakPolarHBondContact O-CB 3.43Å; C234-K237 PolarHBondContact O-N 2.77Å
235V82.9Confident75.5Confident111 Ų11161.5 Ų61.567%0.67333%0.325SS*.Hα-helixtrans-64.8-34.4177173.20000111.7E231 T232 F233E231-V235 VanDerWaalsContact O-CG2 3.31Å; E231-V235 WeakPolarHBondContact O-CG2 3.29Å; E231-V235 PolarHBondContact O-N 3.42Å; E231-V235 VanDerWaalsContact O-N 3.13Å; T232-V235 PolarHBondContact O-N 3.37Å; F233-V235 VanDerWaalsContact C-N 3.31Å; F233-V235 PolarHBondContact O-N 2.98Å
236H78.3Confident74.1Confident73 Ų7361.2 Ų61.234%0.33833%0.331SS..Hα-helixtrans-95.4-3.2-178.1-65.486.3000114.5T232 F233 C234 N238 N239 V240T232-H236 PolarHBondContact O-N 3.33Å; T232-H236 PolarHBondContact O-ND1 2.69Å; F233-H236 CarbonylContact O-C 3.53Å; F233-H236 PolarHBondContact O-N 2.96Å; F233-H236 VanDerWaalsContact O-N 3.13Å; C234-H236 VanDerWaalsContact C-N 3.29Å; C234-H236 PolarHBondContact O-N 2.81Å; H236-N238 PolarHBondContact O-N 2.94Å; H236-N239 PolarHBondContact O-N 2.94Å; H236-V240 PolarHBondContact O-N 2.79Å
237K68.5Low73.3Confident84 Ų8462.1 Ų62.137%0.36534%0.336SS..THydrogen-bonded Turntrans-53.1-28.1-172-171.3176.7177-178.60113.6P206 F233 C234 N239P206-K237 PolarHBondContact O-NZ 3.4Å; F233-K237 HydrophobicContact CZ-CG 4.42Å; F233-K237 PolarHBondContact O-N 3.48Å; C234-K237 WeakPolarHBondContact O-CB 3.43Å; C234-K237 PolarHBondContact O-N 2.77Å; K237-N239 VanDerWaalsContact C-N 3.29Å; K237-N239 PolarHBondContact O-N 3.43Å
238N62Low72.8Confident153 Ų15363.3 Ų63.382%0.81834%0.341SS*.THydrogen-bonded Turntrans-71.4-20.3178.7-68.5-11.1000114H236H236-N238 PolarHBondContact O-N 2.94Å
239N56.7Low72.5Confident140 Ų14062.6 Ų62.675%0.74934%0.34SS*.THydrogen-bonded Turntrans-119.2-16.6-168.1-72.7-10.8000114.6H236 K237H236-N239 PolarHBondContact O-N 2.94Å; K237-N239 VanDerWaalsContact C-N 3.29Å; K237-N239 PolarHBondContact O-N 3.43Å
240V59.5Low72.6Confident46 Ų4668.9 Ų68.928%0.27937%0.373SS..  trans-147.2126.8-163.9-165.20000113.3H236 K244H236-V240 PolarHBondContact O-N 2.79Å; V240-K244 VanDerWaalsContact CG1-C 3.42Å; V240-K244 HydrophobicContact CG1-CB 3.34Å
241S61.7Low72.7Confident91 Ų9171.7 Ų71.764%0.63638%0.384SS*.  trans-63.4145164.6-50.30000110.7D243 K244 A245S241-D243 PolarHBondContact O-N 3.3Å; S241-K244 PolarHBondContact O-N 2.76Å; S241-A245 PolarHBondContact O-N 2.66Å
242I58.2Low72.8Confident16 Ų1670.1 Ų70.18%0.08238%0.377CS..G310 helixtrans-55.4-30.8-167.7-73.2152.6000115.2D211 T214 F233 K244 A245 L247D211-I242 HydrophobicContact CB-CD1 3.28Å; D211-I242 HydrophobicContact CB-CG1 4.5Å; D211-I242 WeakPolarHBondContact OD1-CD1 3.49Å; D211-I242 VanDerWaalsContact OD2-CD1 3.3Å; D211-I242 WeakPolarHBondContact OD2-CD1 3.44Å; T214-I242 HydrophobicContact CG2-CG2 4.12Å; F233-I242 HydrophobicContact CD2-CG1 3.81Å; F233-I242 HydrophobicContact CE1-CD1 4.01Å; F233-I242 HydrophobicContact CE1-CG1 3.97Å; F233-I242 HydrophobicContact CE2-CB 4.26Å; F233-I242 HydrophobicContact CE2-CD1 3.93Å; F233-I242 HydrophobicContact CE2-CG1 3.05Å; F233-I242 HydrophobicContact CZ-CD1 3.46Å; F233-I242 VanDerWaalsContact CZ-CD1 3.46Å; F233-I242 HydrophobicContact CZ-CG1 3.15Å; I242-K244 PolarHBondContact O-N 3.2Å; I242-A245 PolarHBondContact O-N 3.46Å; I242-L247 HydrophobicContact CG2-CD1 4.37Å
243D57.6Low73.1Confident129 Ų12970.7 Ų70.769%0.6938%0.377SS*.G310 helixtrans-62.6-25.4178-60.9-34.5000112.7S241S241-D243 PolarHBondContact O-N 3.3Å
244K56Low73.6Confident177 Ų17772 Ų7277%0.7738%0.383SS*.G310 helixtrans-104.5-5.5180-66.5-179-177.4-179.50113.5V240 S241 I242V240-K244 VanDerWaalsContact CG1-C 3.42Å; V240-K244 HydrophobicContact CG1-CB 3.34Å; S241-K244 PolarHBondContact O-N 2.76Å; I242-K244 PolarHBondContact O-N 3.2Å
245A59.9Low74.1Confident9 Ų971.3 Ų71.37%0.07438%0.378CS..SBendtrans-70.5134.8-179.900000110.1F233 S241 I242 L247F233-A245 HydrophobicContact CD2-CB 3.92Å; F233-A245 HydrophobicContact CE2-CB 4.47Å; S241-A245 PolarHBondContact O-N 2.66Å; I242-A245 PolarHBondContact O-N 3.46Å; A245-L247 HydrophobicContact CB-CG 4.35Å; A245-L247 PolarHBondContact O-N 3.22Å
246P61Low74.5Confident61 Ų6169 Ų6940%0.39636%0.359SS..  trans-71.879176.330.6-34.1000109.6
247L74.6Confident75.3Confident19 Ų1970.5 Ų70.510%0.09937%0.366CS..  trans-77.4-15.4177.2-66.9168.6000112I215 K218 A229 F233 I242 A245I215-L247 HydrophobicContact CD1-CD2 4.42Å; I215-L247 HydrophobicContact CG1-CD1 4.36Å; I215-L247 HydrophobicContact CG1-CD2 4.08Å; K218-L247 HydrophobicContact CD-CB 4.43Å; K218-L247 HydrophobicContact CD-CD1 3.62Å; A229-L247 HydrophobicContact CB-CD2 4.03Å; F233-L247 HydrophobicContact CB-CD2 4.15Å; I242-L247 HydrophobicContact CG2-CD1 4.37Å; A245-L247 HydrophobicContact CB-CG 4.35Å; A245-L247 PolarHBondContact O-N 3.22Å
248E80.5Confident76.5Confident37 Ų3766.6 Ų66.617%0.17335%0.349CS..SBendtrans-99.4140.1-178.6-66.8179.3162.100110.6E252 L253 K256E248-E252 HydrophobicContact CB-CB 4.36Å; E248-L253 HydrophobicContact CB-CD2 4.41Å; E248-L253 HydrophobicContact CB-CG 4.43Å; E248-K256 WeakPolarHBondContact OE1-CE 3.48Å; E248-K256 IonicContact OE1-NZ 3.93Å; E248-K256 PolarHBondContact OE1-NZ 3.19Å; E248-K256 WeakPolarHBondContact OE2-CE 3.4Å; E248-K256 IonicContact OE2-NZ 2.76Å; E248-K256 PolarHBondContact OE2-NZ 3.3Å
249P85.8Confident78Confident48 Ų4859.5 Ų59.531%0.31231%0.312SS..  trans-60.1151.5173.6-2233.1000112.6W251 E252 L253P249-W251 HydrophobicContact CB-CG 4.43Å; P249-W251 PolarHBondContact O-N 2.92Å; P249-W251 VanDerWaalsContact O-N 3.11Å; P249-E252 WeakPolarHBondContact O-CB 3.16Å; P249-E252 PolarHBondContact O-N 3.49Å; P249-L253 PolarHBondContact O-N 3.36Å
250D89.8Confident79.7Confident138 Ų13856 Ų5674%0.73830%0.298SS*.Hα-helixtrans-50.3-41.3-179.3-55-24.6000113.2E252 L253 F254D250-E252 VanDerWaalsContact C-N 3.3Å; D250-E252 PolarHBondContact O-N 3.11Å; D250-L253 PolarHBondContact O-N 2.96Å; D250-F254 WeakPolarHBondContact O-CB 3.39Å; D250-F254 PolarHBondContact O-N 3.41Å
251W92.9Very high81.3Confident58 Ų5855.3 Ų55.322%0.2229%0.294CS..Hα-helixtrans-67.2-27.9179.370.8-91.8000113.7P249 V255 L281 I286 L290 R294P249-W251 HydrophobicContact CB-CG 4.43Å; P249-W251 PolarHBondContact O-N 2.92Å; P249-W251 VanDerWaalsContact O-N 3.11Å; W251-V255 HydrophobicContact CE3-CG2 4.3Å; W251-V255 WeakPolarHBondContact O-CB 3.36Å; W251-V255 WeakPolarHBondContact O-CG2 3.34Å; W251-V255 PolarHBondContact O-N 2.97Å; W251-L281 HydrophobicContact CB-CD2 4.24Å; W251-I286 HydrophobicContact CB-CD1 3.25Å; W251-I286 HydrophobicContact CD2-CD1 4.15Å; W251-I286 HydrophobicContact CE3-CD1 4.45Å; W251-I286 HydrophobicContact CE3-CG2 4.26Å; W251-I286 HydrophobicContact CG-CD1 3.65Å; W251-L290 HydrophobicContact CH2-CD1 4.04Å; W251-L290 HydrophobicContact CH2-CD2 3.43Å; W251-L290 VanDerWaalsContact CH2-CD2 3.43Å; W251-L290 HydrophobicContact CH2-CG 3.57Å; W251-L290 HydrophobicContact CZ2-CD2 3.75Å; W251-L290 HydrophobicContact CZ2-CG 4.39Å; W251-L290 HydrophobicContact CZ3-CD2 4Å; W251-L290 HydrophobicContact CZ3-CG 3.91Å; W251-R294 HydrophobicContact CZ3-CB 4.42Å; W251-R294 HydrophobicContact CZ3-CG 4.47Å
252E90.5Very high82.8Confident5 Ų551 Ų512%0.02326%0.264CS..Hα-helixtrans-74-40.7174.6-70.1-164.3162.500111.2R225 E248 P249 D250 F254 V255 K256R225-E252 IonicContact CZ-OE1 3.62Å; R225-E252 IonicContact CZ-OE2 2.73Å; R225-E252 IonicContact NH1-OE1 2.59Å; R225-E252 PolarHBondContact NH1-OE1 2.97Å; R225-E252 IonicContact NH1-OE2 2.78Å; R225-E252 IonicContact NH2-OE1 3.01Å; R225-E252 PolarHBondContact NH2-OE1 2.91Å; R225-E252 IonicContact NH2-OE2 2.74Å; R225-E252 PolarHBondContact NH2-OE2 3.34Å; E248-E252 HydrophobicContact CB-CB 4.36Å; P249-E252 WeakPolarHBondContact O-CB 3.16Å; P249-E252 PolarHBondContact O-N 3.49Å; D250-E252 VanDerWaalsContact C-N 3.3Å; D250-E252 PolarHBondContact O-N 3.11Å; E252-F254 VanDerWaalsContact C-N 3.31Å; E252-V255 PolarHBondContact O-N 3.44Å; E252-K256 WeakPolarHBondContact O-CG 3.41Å; E252-K256 PolarHBondContact O-N 3.37Å
253L91.2Very high84.3Confident65 Ų6551.9 Ų51.934%0.3427%0.269SS..Hα-helixtrans-59.6-46.1172.1-65.4173.9000110.3E248 P249 D250 V255 K256 E257E248-L253 HydrophobicContact CB-CD2 4.41Å; E248-L253 HydrophobicContact CB-CG 4.43Å; P249-L253 PolarHBondContact O-N 3.36Å; D250-L253 PolarHBondContact O-N 2.96Å; L253-V255 VanDerWaalsContact C-N 3.32Å; L253-V255 PolarHBondContact O-N 3.31Å; L253-K256 WeakPolarHBondContact O-CB 3.26Å; L253-K256 PolarHBondContact O-N 2.96Å; L253-E257 WeakPolarHBondContact O-CG 3.25Å; L253-E257 PolarHBondContact O-N 3.39Å
254F94.3Very high85.9Confident37 Ų3752.7 Ų52.716%0.16227%0.272CS..Hα-helixtrans-61.6-38.4177.6-167.3-93.2000112.8D250 E252 T258 R277 E280 L281D250-F254 WeakPolarHBondContact O-CB 3.39Å; D250-F254 PolarHBondContact O-N 3.41Å; E252-F254 VanDerWaalsContact C-N 3.31Å; F254-T258 WeakPolarHBondContact O-CB 3.35Å; F254-T258 PolarHBondContact O-N 3.47Å; F254-T258 PolarHBondContact O-OG1 3.32Å; F254-R277 HydrophobicContact CE1-CB 3.72Å; F254-R277 HydrophobicContact CE1-CG 4.27Å; F254-R277 WeakPolarHBondContact CE1-O 3.49Å; F254-R277 HydrophobicContact CZ-CB 3.89Å; F254-R277 HydrophobicContact CZ-CG 3.96Å; F254-R277 PolarHBondContact O-NH2 2.96Å; F254-E280 HydrophobicContact CE1-CB 4.48Å; F254-E280 HydrophobicContact CZ-CB 4.34Å; F254-E280 HydrophobicContact CZ-CG 4.37Å; F254-E280 WeakPolarHBondContact CZ-OE2 3.46Å; F254-L281 HydrophobicContact CD1-CD1 4.04Å; F254-L281 HydrophobicContact CD1-CD2 3.67Å; F254-L281 HydrophobicContact CD1-CG 3.69Å; F254-L281 HydrophobicContact CE1-CD1 4.32Å; F254-L281 HydrophobicContact CE1-CD2 4.35Å; F254-L281 HydrophobicContact CE1-CG 3.91Å; F254-L281 HydrophobicContact CG-CD2 4.49Å
255V93.7Very high87.5Confident1 Ų149 Ų491%0.00626%0.258CS..Hα-helixtrans-66.3-38.5173.3169.20000111.5W251 E252 L253 T258 A259 L281 R294 L295W251-V255 HydrophobicContact CE3-CG2 4.3Å; W251-V255 WeakPolarHBondContact O-CB 3.36Å; W251-V255 WeakPolarHBondContact O-CG2 3.34Å; W251-V255 PolarHBondContact O-N 2.97Å; E252-V255 PolarHBondContact O-N 3.44Å; L253-V255 VanDerWaalsContact C-N 3.32Å; L253-V255 PolarHBondContact O-N 3.31Å; V255-T258 WeakPolarHBondContact O-CB 3.43Å; V255-T258 PolarHBondContact O-N 2.85Å; V255-A259 PolarHBondContact O-N 3.2Å; V255-L281 HydrophobicContact CG2-CD1 3.67Å; V255-L281 HydrophobicContact CG2-CD2 4.05Å; V255-R294 HydrophobicContact CG1-CB 4.18Å; V255-R294 HydrophobicContact CG1-CG 4.21Å; V255-L295 HydrophobicContact CG1-CB 4.23Å; V255-L295 HydrophobicContact CG1-CD1 4.31Å
256K92.6Very high88.9Confident62 Ų6250.2 Ų50.227%0.2726%0.262SS..Hα-helixtrans-63.5-48.2175.1-74178.3178.7-1720111.9E248 E252 L253 T258 A259 S260 H298E248-K256 WeakPolarHBondContact OE1-CE 3.48Å; E248-K256 IonicContact OE1-NZ 3.93Å; E248-K256 PolarHBondContact OE1-NZ 3.19Å; E248-K256 WeakPolarHBondContact OE2-CE 3.4Å; E248-K256 IonicContact OE2-NZ 2.76Å; E248-K256 PolarHBondContact OE2-NZ 3.3Å; E252-K256 WeakPolarHBondContact O-CG 3.41Å; E252-K256 PolarHBondContact O-N 3.37Å; L253-K256 WeakPolarHBondContact O-CB 3.26Å; L253-K256 PolarHBondContact O-N 2.96Å; K256-T258 VanDerWaalsContact C-N 3.27Å; K256-T258 PolarHBondContact O-N 3.28Å; K256-A259 WeakPolarHBondContact O-CA 3.4Å; K256-A259 WeakPolarHBondContact O-CB 3.45Å; K256-A259 PolarHBondContact O-N 3.42Å; K256-A259 VanDerWaalsContact O-N 3.08Å; K256-S260 PolarHBondContact O-N 3.21Å; K256-S260 PolarHBondContact O-OG 3.07Å; K256-H298 WeakPolarHBondContact CE-CE1 3.31Å; K256-H298 WeakPolarHBondContact CE-NE2 3.49Å; K256-H298 WeakPolarHBondContact CG-NE2 3.22Å
257E93.6Very high90.4Very high105 Ų10548.5 Ų48.549%0.49125%0.251SS..Hα-helixtrans-58-43.1174.5-70.7173.1-176.800111.2L253 A259 S260 V261 R277L253-E257 WeakPolarHBondContact O-CG 3.25Å; L253-E257 PolarHBondContact O-N 3.39Å; E257-A259 VanDerWaalsContact C-N 3.3Å; E257-A259 PolarHBondContact O-N 3.09Å; E257-S260 WeakPolarHBondContact O-CB 3.14Å; E257-S260 PolarHBondContact O-N 3.42Å; E257-S260 VanDerWaalsContact O-N 3.12Å; E257-V261 WeakPolarHBondContact O-CG2 3.32Å; E257-V261 PolarHBondContact O-N 3.45Å; E257-R277 VanDerWaalsContact CB-NH2 3.34Å; E257-R277 IonicContact OE2-CZ 3.17Å; E257-R277 IonicContact OE2-NH2 2.8Å; E257-R277 PolarHBondContact OE2-NH2 3.46Å
258T94.1Very high91.3Very high1 Ų152.7 Ų52.71%0.00628%0.28CS..Hα-helixtrans-60.5-41.4175.4-52.50000111.1F254 V255 K256 S260 V261 I262 V274 R277F254-T258 WeakPolarHBondContact O-CB 3.35Å; F254-T258 PolarHBondContact O-N 3.47Å; F254-T258 PolarHBondContact O-OG1 3.32Å; V255-T258 WeakPolarHBondContact O-CB 3.43Å; V255-T258 PolarHBondContact O-N 2.85Å; K256-T258 VanDerWaalsContact C-N 3.27Å; K256-T258 PolarHBondContact O-N 3.28Å; T258-S260 VanDerWaalsContact C-N 3.33Å; T258-S260 PolarHBondContact O-N 3.41Å; T258-V261 PolarHBondContact O-N 2.69Å; T258-I262 HydrophobicContact CG2-CD1 4.31Å; T258-I262 WeakPolarHBondContact O-CD1 3.42Å; T258-I262 VanDerWaalsContact O-CG1 3.26Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 2.68Å; T258-I262 VanDerWaalsContact O-N 3.13Å; T258-V274 HydrophobicContact CG2-CG1 3.92Å; T258-R277 HydrophobicContact CG2-CB 4.14Å; T258-R277 PolarHBondContact OG1-NE 3.32Å
259A93.4Very high91.9Very high4 Ų457 Ų573%0.03330%0.304CS..Hα-helixtrans-62.5-39.8174.700000111.9V255 K256 E257 I262 L263 L295 H298 L299V255-A259 PolarHBondContact O-N 3.2Å; K256-A259 WeakPolarHBondContact O-CA 3.4Å; K256-A259 WeakPolarHBondContact O-CB 3.45Å; K256-A259 PolarHBondContact O-N 3.42Å; K256-A259 VanDerWaalsContact O-N 3.08Å; E257-A259 VanDerWaalsContact C-N 3.3Å; E257-A259 PolarHBondContact O-N 3.09Å; A259-I262 PolarHBondContact O-N 3.08Å; A259-L263 WeakPolarHBondContact O-CG 3.49Å; A259-L263 PolarHBondContact O-N 3.15Å; A259-L263 VanDerWaalsContact O-N 3.12Å; A259-L295 HydrophobicContact CB-CD1 3.94Å; A259-H298 HydrophobicContact CB-CB 4.02Å; A259-L299 HydrophobicContact CB-CD2 4.01Å; A259-L299 HydrophobicContact CB-CG 4.45Å
260S92.8Very high92.3Very high66 Ų6654.9 Ų54.946%0.46229%0.29SS..Hα-helixtrans-63.1-43.4175.5-61.90000112.2K256 E257 T258 I262 L263 L264K256-S260 PolarHBondContact O-N 3.21Å; K256-S260 PolarHBondContact O-OG 3.07Å; E257-S260 WeakPolarHBondContact O-CB 3.14Å; E257-S260 PolarHBondContact O-N 3.42Å; E257-S260 VanDerWaalsContact O-N 3.12Å; T258-S260 VanDerWaalsContact C-N 3.33Å; T258-S260 PolarHBondContact O-N 3.41Å; S260-I262 VanDerWaalsContact C-N 3.31Å; S260-I262 PolarHBondContact O-N 2.99Å; S260-L263 PolarHBondContact O-N 3.25Å; S260-L263 VanDerWaalsContact O-N 3.15Å; S260-L264 VanDerWaalsContact O-CG 3.31Å; S260-L264 WeakPolarHBondContact O-CG 3.03Å; S260-L264 PolarHBondContact O-N 2.93Å
261V93Very high92.5Very high32 Ų3249.8 Ų49.819%0.19426%0.263CS..Hα-helixtrans-59.7-42.1175.4175.30000111.2E257 T258 L263 L264 E265 V274E257-V261 WeakPolarHBondContact O-CG2 3.32Å; E257-V261 PolarHBondContact O-N 3.45Å; T258-V261 PolarHBondContact O-N 2.69Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 2.84Å; V261-L264 PolarHBondContact O-N 3.46Å; V261-E265 PolarHBondContact O-N 2.72Å; V261-V274 HydrophobicContact CG1-CG2 4.01Å
262I93.2Very high92.6Very high0 Ų053.2 Ų53.20%028%0.283CS..Hα-helixtrans-62.3-35.8177.3-65.4164.4000112T258 A259 S260 Q266 V274 L295 L299 V336 F339 M340T258-I262 HydrophobicContact CG2-CD1 4.31Å; T258-I262 WeakPolarHBondContact O-CD1 3.42Å; T258-I262 VanDerWaalsContact O-CG1 3.26Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 2.68Å; T258-I262 VanDerWaalsContact O-N 3.13Å; A259-I262 PolarHBondContact O-N 3.08Å; S260-I262 VanDerWaalsContact C-N 3.31Å; S260-I262 PolarHBondContact O-N 2.99Å; I262-Q266 PolarHBondContact O-NE2 3.29Å; I262-V274 HydrophobicContact CD1-CG1 4Å; I262-V274 HydrophobicContact CG1-CB 4.49Å; I262-V274 HydrophobicContact CG1-CG1 4.02Å; I262-V274 HydrophobicContact CG1-CG2 3.66Å; I262-L295 HydrophobicContact CD1-CD1 3.92Å; I262-L295 HydrophobicContact CD1-CD2 4.28Å; I262-L299 HydrophobicContact CB-CD2 4.46Å; I262-L299 HydrophobicContact CG2-CD2 4.25Å; I262-V336 HydrophobicContact CD1-CG1 3.96Å; I262-V336 HydrophobicContact CD1-CG2 4.03Å; I262-V336 HydrophobicContact CG1-CG1 4Å; I262-V336 HydrophobicContact CG2-CG1 4.45Å; I262-F339 HydrophobicContact CG2-CD1 3.49Å; I262-F339 VanDerWaalsContact CG2-CD1 3.49Å; I262-F339 HydrophobicContact CG2-CE1 3.7Å; I262-M340 HydrophobicContact CB-CE 4.23Å; I262-M340 HydrophobicContact CG1-CE 4.09Å; I262-M340 HydrophobicContact CG2-CE 4.08Å; I262-M340 HydrophobicContact CG2-CG 4.06Å
263L90.6Very high92.8Very high35 Ų3558 Ų5818%0.18331%0.306CS..Hα-helixtrans-77.2-31.5179.3-69.7169.8000112.7A259 S260 V261 Q266 L299 F339 Y343A259-L263 WeakPolarHBondContact O-CG 3.49Å; A259-L263 PolarHBondContact O-N 3.15Å; A259-L263 VanDerWaalsContact O-N 3.12Å; S260-L263 PolarHBondContact O-N 3.25Å; S260-L263 VanDerWaalsContact O-N 3.15Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 2.84Å; L263-Q266 PolarHBondContact O-NE2 3.28Å; L263-L299 HydrophobicContact CD1-CD2 4.39Å; L263-L299 HydrophobicContact CD2-CD2 4.16Å; L263-L299 HydrophobicContact CG-CD2 4.01Å; L263-F339 HydrophobicContact CD2-CE1 4.12Å; L263-F339 HydrophobicContact CD2-CZ 4.04Å; L263-Y343 HydrophobicContact CD2-CE1 4.17Å; L263-Y343 HydrophobicContact CD2-CE2 4.21Å
264L90.3Very high93Very high147 Ų14755 Ų5577%0.7729%0.289SS*.Hα-helixtrans-70.9-44.8-178.5-74168.9000112.9S260 V261S260-L264 VanDerWaalsContact O-CG 3.31Å; S260-L264 WeakPolarHBondContact O-CG 3.03Å; S260-L264 PolarHBondContact O-N 2.93Å; V261-L264 PolarHBondContact O-N 3.46Å
265E89.5Confident93.1Very high99 Ų9957.6 Ų57.646%0.46330%0.298SS..  trans-137.5125.3-174.4-168.4-175.8162.600112.5V261 S267 A270V261-E265 PolarHBondContact O-N 2.72Å; E265-S267 WeakPolarHBondContact OE1-CB 3.34Å; E265-S267 PolarHBondContact OE1-OG 3.43Å; E265-A270 HydrophobicContact CB-CB 3.96Å; E265-A270 HydrophobicContact CG-CB 4.1Å; E265-A270 WeakPolarHBondContact O-CB 3.41Å
266Q89.9Confident93.2Very high34 Ų3459.5 Ų59.516%0.15932%0.318CS..  trans-105.358.9176.1-60.777.144.300111.4I262 L263 M340 Y343 K344I262-Q266 PolarHBondContact O-NE2 3.29Å; L263-Q266 PolarHBondContact O-NE2 3.28Å; Q266-M340 HydrophobicContact CB-CB 4.27Å; Q266-M340 HydrophobicContact CG-CB 4.2Å; Q266-M340 HydrophobicContact CG-CG 4.31Å; Q266-Y343 HydrophobicContact CG-CD1 4.09Å; Q266-K344 HydrophobicContact CB-CB 3.97Å; Q266-K344 HydrophobicContact CB-CD 4.23Å; Q266-K344 HydrophobicContact CB-CG 4.42Å; Q266-K344 HydrophobicContact CG-CB 4.27Å
267S92.2Very high93.3Very high25 Ų2558.5 Ų58.518%0.17531%0.312CS..SBendtrans-115.2158.6176.682.30000112.1E265 N269 A270 L271E265-S267 WeakPolarHBondContact OE1-CB 3.34Å; E265-S267 PolarHBondContact OE1-OG 3.43Å; S267-N269 PolarHBondContact O-N 3.25Å; S267-N269 PolarHBondContact OG-N 2.76Å; S267-A270 PolarHBondContact O-N 3.3Å; S267-A270 PolarHBondContact OG-N 3.46Å; S267-L271 PolarHBondContact O-N 3.15Å
268P93.1Very high93.4Very high108 Ų10853.6 Ų53.670%0.70129%0.29SS*.Hα-helixtrans-59.2-28172.1-24.735.2000113.8L271 M272P268-L271 PolarHBondContact O-N 2.97Å; P268-M272 PolarHBondContact O-N 2.96Å; P268-M272 VanDerWaalsContact O-N 3.11Å
269N93.4Very high93.5Very high128 Ų12859.4 Ų59.468%0.68431%0.312SS*.Hα-helixtrans-70.3-45.4177.1-67.8-16.7000110.8S267 L271 M272 E273S267-N269 PolarHBondContact O-N 3.25Å; S267-N269 PolarHBondContact OG-N 2.76Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 3.16Å; N269-M272 WeakPolarHBondContact O-CB 3.48Å; N269-M272 PolarHBondContact O-N 3.41Å; N269-M272 VanDerWaalsContact O-N 3.09Å; N269-E273 PolarHBondContact O-N 3.05Å; N269-E273 VanDerWaalsContact O-N 3.09Å
270A93.4Very high93.6Very high2 Ų263.9 Ų63.92%0.01733%0.333CS..Hα-helixtrans-60.7-38.4173.600000111.5E265 S267 M272 E273 V274 M340E265-A270 HydrophobicContact CB-CB 3.96Å; E265-A270 HydrophobicContact CG-CB 4.1Å; E265-A270 WeakPolarHBondContact O-CB 3.41Å; S267-A270 PolarHBondContact O-N 3.3Å; S267-A270 PolarHBondContact OG-N 3.46Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 3.47Å; A270-E273 PolarHBondContact O-N 3.41Å; A270-V274 VanDerWaalsContact O-CG2 3.27Å; A270-V274 WeakPolarHBondContact O-CG2 3.32Å; A270-V274 PolarHBondContact O-N 3.07Å; A270-M340 HydrophobicContact CB-CE 4.31Å
271L94.8Very high93.7Very high31 Ų3161 Ų6116%0.16231%0.312CS..Hα-helixtrans-61.6-37.8174.2-176.564.6000112.4S267 P268 N269 V274 R275 E333 V336 A337 M340S267-L271 PolarHBondContact O-N 3.15Å; P268-L271 PolarHBondContact O-N 2.97Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 3.16Å; L271-V274 PolarHBondContact O-N 3.22Å; L271-R275 WeakPolarHBondContact O-CB 3.49Å; L271-R275 PolarHBondContact O-N 3.48Å; L271-E333 HydrophobicContact CD1-CG 4.22Å; L271-V336 HydrophobicContact CD1-CB 4.07Å; L271-V336 HydrophobicContact CD1-CG1 3.62Å; L271-A337 HydrophobicContact CD1-CB 4.35Å; L271-A337 HydrophobicContact CD2-CB 4.01Å; L271-M340 HydrophobicContact CB-SD 4.09Å; L271-M340 HydrophobicContact CD1-SD 4.13Å
272M94.7Very high93.7Very high130 Ų13061.5 Ų61.564%0.6431%0.313SS*.Hα-helixtrans-66.2-39.8175.6-178.1175.6-86.300111.9P268 N269 A270 R275 G276P268-M272 PolarHBondContact O-N 2.96Å; P268-M272 VanDerWaalsContact O-N 3.11Å; N269-M272 WeakPolarHBondContact O-CB 3.48Å; N269-M272 PolarHBondContact O-N 3.41Å; N269-M272 VanDerWaalsContact O-N 3.09Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 3.47Å; M272-R275 WeakPolarHBondContact O-CB 3.49Å; M272-R275 PolarHBondContact O-N 2.9Å; M272-G276 PolarHBondContact O-N 2.79Å
273E95Very high93.8Very high107 Ų10765.1 Ų65.150%0.534%0.343SS..Hα-helixtrans-63.7-47.6173.6-171.9-174.5160.100111.3N269 A270 R275 G276 R277N269-E273 PolarHBondContact O-N 3.05Å; N269-E273 VanDerWaalsContact O-N 3.09Å; A270-E273 PolarHBondContact O-N 3.41Å; E273-R275 VanDerWaalsContact C-N 3.27Å; E273-R275 PolarHBondContact O-N 2.85Å; E273-G276 WeakPolarHBondContact O-CA 3.07Å; E273-G276 PolarHBondContact O-N 3.02Å; E273-R277 PolarHBondContact O-N 3.21Å; E273-R277 VanDerWaalsContact O-N 3.13Å
274V95.2Very high94Very high0 Ų069.7 Ų69.70%036%0.363CS..Hα-helixtrans-60.8-37.2177.71740000111.1T258 V261 I262 A270 L271 G276 R277 L278 V336 M340T258-V274 HydrophobicContact CG2-CG1 3.92Å; V261-V274 HydrophobicContact CG1-CG2 4.01Å; I262-V274 HydrophobicContact CD1-CG1 4Å; I262-V274 HydrophobicContact CG1-CB 4.49Å; I262-V274 HydrophobicContact CG1-CG1 4.02Å; I262-V274 HydrophobicContact CG1-CG2 3.66Å; A270-V274 VanDerWaalsContact O-CG2 3.27Å; A270-V274 WeakPolarHBondContact O-CG2 3.32Å; A270-V274 PolarHBondContact O-N 3.07Å; L271-V274 PolarHBondContact O-N 3.22Å; V274-G276 VanDerWaalsContact C-N 3.3Å; V274-G276 PolarHBondContact O-N 3.01Å; V274-R277 PolarHBondContact O-N 2.93Å; V274-L278 HydrophobicContact CG1-CD1 4.29Å; V274-L278 HydrophobicContact CG1-CG 4.31Å; V274-L278 WeakPolarHBondContact O-CG 3.32Å; V274-L278 PolarHBondContact O-N 3.44Å; V274-V336 HydrophobicContact CG1-CG1 3.89Å; V274-V336 HydrophobicContact CG1-CG2 4.12Å; V274-M340 HydrophobicContact CG2-CE 4.25Å
275R95.9Very high94.1Very high93 Ų9368.1 Ų68.135%0.35136%0.363SS..Hα-helixtrans-57.2-43.6172.2176.7-167.9-79.3175.4-5.5111.3L271 M272 E273 L278 Y279 E333L271-R275 WeakPolarHBondContact O-CB 3.49Å; L271-R275 PolarHBondContact O-N 3.48Å; M272-R275 WeakPolarHBondContact O-CB 3.49Å; M272-R275 PolarHBondContact O-N 2.9Å; E273-R275 VanDerWaalsContact C-N 3.27Å; E273-R275 PolarHBondContact O-N 2.85Å; R275-L278 PolarHBondContact O-N 2.78Å; R275-Y279 HydrophobicContact CG-CD2 3.91Å; R275-Y279 HydrophobicContact CG-CE2 3.78Å; R275-Y279 VanDerWaalsContact O-CD2 3.31Å; R275-Y279 WeakPolarHBondContact O-CD2 3.22Å; R275-Y279 PolarHBondContact O-N 3.37Å; R275-E333 IonicContact CZ-OE1 2.66Å; R275-E333 IonicContact CZ-OE2 3.21Å; R275-E333 IonicContact NE-OE1 3.82Å; R275-E333 PolarHBondContact NE-OE1 3.36Å; R275-E333 IonicContact NE-OE2 3.22Å; R275-E333 PolarHBondContact NE-OE2 2.8Å; R275-E333 IonicContact NH2-OE1 3.46Å; R275-E333 PolarHBondContact NH2-OE1 3.1Å; R275-E333 IonicContact NH2-OE2 2.58Å; R275-E333 PolarHBondContact NH2-OE2 2.75Å
276G95.9Very high94.3Very high40 Ų4064.4 Ų64.441%0.41235%0.346SS..Hα-helixtrans-57.8-46.8175.100000112.3M272 E273 V274 L278 Y279 E280M272-G276 PolarHBondContact O-N 2.79Å; E273-G276 WeakPolarHBondContact O-CA 3.07Å; E273-G276 PolarHBondContact O-N 3.02Å; V274-G276 VanDerWaalsContact C-N 3.3Å; V274-G276 PolarHBondContact O-N 3.01Å; G276-L278 PolarHBondContact O-N 2.79Å; G276-Y279 WeakPolarHBondContact O-CB 3.38Å; G276-Y279 PolarHBondContact O-N 2.97Å; G276-E280 PolarHBondContact O-N 3.13Å; G276-E280 VanDerWaalsContact O-N 3.1Å
277R95.1Very high94.4Very high41 Ų4165.9 Ų65.916%0.15536%0.359CS..Hα-helixtrans-62.5-39.4176.2-61.6-172.770.697.7-1.1112.6F254 E257 T258 E273 V274 Y279 E280 L281F254-R277 HydrophobicContact CE1-CB 3.72Å; F254-R277 HydrophobicContact CE1-CG 4.27Å; F254-R277 WeakPolarHBondContact CE1-O 3.49Å; F254-R277 HydrophobicContact CZ-CB 3.89Å; F254-R277 HydrophobicContact CZ-CG 3.96Å; F254-R277 PolarHBondContact O-NH2 2.96Å; E257-R277 VanDerWaalsContact CB-NH2 3.34Å; E257-R277 IonicContact OE2-CZ 3.17Å; E257-R277 IonicContact OE2-NH2 2.8Å; E257-R277 PolarHBondContact OE2-NH2 3.46Å; T258-R277 HydrophobicContact CG2-CB 4.14Å; T258-R277 PolarHBondContact OG1-NE 3.32Å; E273-R277 PolarHBondContact O-N 3.21Å; E273-R277 VanDerWaalsContact O-N 3.13Å; V274-R277 PolarHBondContact O-N 2.93Å; R277-Y279 VanDerWaalsContact C-N 3.35Å; R277-E280 PolarHBondContact O-N 3.46Å; R277-L281 PolarHBondContact O-N 2.95Å; R277-L281 VanDerWaalsContact O-N 3.13Å
278L95.4Very high94.5Very high3 Ų366.4 Ų66.42%0.01636%0.362CS..Hα-helixtrans-65-37.9175.1-69175.8000112.1V274 R275 G276 L281 L282 I291 I329 L332 V336V274-L278 HydrophobicContact CG1-CD1 4.29Å; V274-L278 HydrophobicContact CG1-CG 4.31Å; V274-L278 WeakPolarHBondContact O-CG 3.32Å; V274-L278 PolarHBondContact O-N 3.44Å; R275-L278 PolarHBondContact O-N 2.78Å; G276-L278 PolarHBondContact O-N 2.79Å; L278-L281 PolarHBondContact O-N 3.28Å; L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.18Å; L278-I291 HydrophobicContact CD2-CG2 4.17Å; L278-I329 HydrophobicContact CB-CD1 3.75Å; L278-I329 HydrophobicContact CD1-CD1 4.35Å; L278-L332 HydrophobicContact CD1-CB 4.02Å; L278-V336 HydrophobicContact CD1-CG2 4.24Å
279Y95.9Very high94.5Very high122 Ų12264.7 Ų64.748%0.47835%0.349SS..Hα-helixtrans-63.1-41.5174-90.2-67.8000112.4R275 G276 R277 L282 A283 I329R275-Y279 HydrophobicContact CG-CD2 3.91Å; R275-Y279 HydrophobicContact CG-CE2 3.78Å; R275-Y279 VanDerWaalsContact O-CD2 3.31Å; R275-Y279 WeakPolarHBondContact O-CD2 3.22Å; R275-Y279 PolarHBondContact O-N 3.37Å; G276-Y279 WeakPolarHBondContact O-CB 3.38Å; G276-Y279 PolarHBondContact O-N 2.97Å; R277-Y279 VanDerWaalsContact C-N 3.35Å; Y279-L282 PolarHBondContact O-N 3.42Å; Y279-A283 WeakPolarHBondContact O-CB 3.46Å; Y279-A283 PolarHBondContact O-N 3.34Å; Y279-I329 HydrophobicContact CD2-CD1 4.29Å; Y279-I329 HydrophobicContact CD2-CG1 4.43Å; Y279-I329 HydrophobicContact CE1-CG1 4.19Å; Y279-I329 HydrophobicContact CE1-CG2 4.47Å; Y279-I329 HydrophobicContact CE2-CD1 4.23Å; Y279-I329 HydrophobicContact CE2-CG1 3.91Å
280E95.5Very high94.4Very high99 Ų9961.7 Ų61.746%0.46333%0.333SS..Hα-helixtrans-60.5-46.7177.1-169.5168.8-174.700111.3F254 G276 R277 L282 A283 H284F254-E280 HydrophobicContact CE1-CB 4.48Å; F254-E280 HydrophobicContact CZ-CB 4.34Å; F254-E280 HydrophobicContact CZ-CG 4.37Å; F254-E280 WeakPolarHBondContact CZ-OE2 3.46Å; G276-E280 PolarHBondContact O-N 3.13Å; G276-E280 VanDerWaalsContact O-N 3.1Å; R277-E280 PolarHBondContact O-N 3.46Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.24Å; E280-A283 PolarHBondContact O-N 3.01Å; E280-H284 PolarHBondContact O-CD2 3.42Å; E280-H284 PolarHBondContact O-N 3.43Å; E280-H284 VanDerWaalsContact O-N 3.14Å
281L95Very high94.5Very high5 Ų561.7 Ų61.73%0.02633%0.333CS..Hα-helixtrans-60-41175.1-72.2169.7000113W251 F254 V255 R277 L278 H284 I286 I291W251-L281 HydrophobicContact CB-CD2 4.24Å; F254-L281 HydrophobicContact CD1-CD1 4.04Å; F254-L281 HydrophobicContact CD1-CD2 3.67Å; F254-L281 HydrophobicContact CD1-CG 3.69Å; F254-L281 HydrophobicContact CE1-CD1 4.32Å; F254-L281 HydrophobicContact CE1-CD2 4.35Å; F254-L281 HydrophobicContact CE1-CG 3.91Å; F254-L281 HydrophobicContact CG-CD2 4.49Å; V255-L281 HydrophobicContact CG2-CD1 3.67Å; V255-L281 HydrophobicContact CG2-CD2 4.05Å; R277-L281 PolarHBondContact O-N 2.95Å; R277-L281 VanDerWaalsContact O-N 3.13Å; L278-L281 PolarHBondContact O-N 3.28Å; L281-H284 PolarHBondContact O-N 3.21Å; L281-I286 HydrophobicContact CD2-CD1 3.88Å; L281-I291 HydrophobicContact CB-CD1 3.69Å; L281-I291 HydrophobicContact CB-CG1 4.39Å; L281-I291 HydrophobicContact CD1-CG2 3.98Å
282L94.7Very high94.5Very high42 Ų4260.2 Ų60.222%0.2233%0.325CS..Hα-helixtrans-70.6-36.1177.8-69.8175.2000112.2L278 Y279 E280 H284 C285 P288 I291 A328 I329 L332L278-L282 VanDerWaalsContact O-CG 3.28Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.18Å; Y279-L282 PolarHBondContact O-N 3.42Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.24Å; L282-H284 VanDerWaalsContact C-N 3.26Å; L282-H284 PolarHBondContact O-N 2.8Å; L282-C285 PolarHBondContact O-N 2.87Å; L282-P288 HydrophobicContact CD2-CB 4.37Å; L282-P288 HydrophobicContact CD2-CG 3.81Å; L282-I291 HydrophobicContact CD2-CD1 3.99Å; L282-I291 HydrophobicContact CG-CD1 4.47Å; L282-A328 HydrophobicContact CD2-CB 4.29Å; L282-I329 HydrophobicContact CD1-CB 3.88Å; L282-I329 HydrophobicContact CD1-CD1 4.16Å; L282-L332 HydrophobicContact CD1-CD1 4.3Å; L282-L332 HydrophobicContact CD2-CD1 4.14Å; L282-L332 HydrophobicContact CG-CD1 4.42Å
283A95.3Very high94.4Very high76 Ų7660 Ų6063%0.62832%0.321SS*.Hα-helixtrans-62.8-34.9176.500000111.6Y279 E280 C285Y279-A283 WeakPolarHBondContact O-CB 3.46Å; Y279-A283 PolarHBondContact O-N 3.34Å; E280-A283 PolarHBondContact O-N 3.01Å; A283-C285 PolarHBondContact O-N 3.05Å; A283-C285 VanDerWaalsContact O-N 3.1Å
284H94.7Very high94.3Very high131 Ų13158 Ų5861%0.60631%0.308SS*.THydrogen-bonded Turntrans-74.212172.6-70.9-63.3000114.6E280 L281 L282 I286E280-H284 PolarHBondContact O-CD2 3.42Å; E280-H284 PolarHBondContact O-N 3.43Å; E280-H284 VanDerWaalsContact O-N 3.14Å; L281-H284 PolarHBondContact O-N 3.21Å; L282-H284 VanDerWaalsContact C-N 3.26Å; L282-H284 PolarHBondContact O-N 2.8Å; H284-I286 HydrophobicContact CB-CD1 4.28Å; H284-I286 HydrophobicContact CB-CG1 4.18Å; H284-I286 PolarHBondContact O-N 3.48Å
285C91.8Very high94.3Very high114 Ų11458.1 Ų58.177%0.7731%0.309SS*.THydrogen-bonded Turntrans59.928.9175.6-58.20000113.7L282 A283L282-C285 PolarHBondContact O-N 2.87Å; A283-C285 PolarHBondContact O-N 3.05Å; A283-C285 VanDerWaalsContact O-N 3.1Å
286I93.8Very high94.2Very high21 Ų2155.4 Ų55.411%0.10830%0.299CS..  trans-79.8131176.3-55.4177.4000108.7W251 L281 H284 L290 I291W251-I286 HydrophobicContact CB-CD1 3.25Å; W251-I286 HydrophobicContact CD2-CD1 4.15Å; W251-I286 HydrophobicContact CE3-CD1 4.45Å; W251-I286 HydrophobicContact CE3-CG2 4.26Å; W251-I286 HydrophobicContact CG-CD1 3.65Å; L281-I286 HydrophobicContact CD2-CD1 3.88Å; H284-I286 HydrophobicContact CB-CD1 4.28Å; H284-I286 HydrophobicContact CB-CG1 4.18Å; H284-I286 PolarHBondContact O-N 3.48Å; I286-L290 HydrophobicContact CG2-CD2 4.27Å; I286-I291 HydrophobicContact CB-CD1 4.2Å; I286-I291 HydrophobicContact CB-CG1 4.32Å; I286-I291 HydrophobicContact CG2-CD1 4.23Å; I286-I291 HydrophobicContact CG2-CG1 3.79Å
287P91.9Very high94Very high65 Ų6558.2 Ų58.242%0.42230%0.3SS..  trans-56.5128.3-179.3-27.335.2000112.3T289 L290 I291P287-T289 PolarHBondContact O-N 3.31Å; P287-L290 HydrophobicContact CB-CB 4.11Å; P287-L290 WeakPolarHBondContact O-CA 3.37Å; P287-L290 VanDerWaalsContact O-CB 3.31Å; P287-L290 WeakPolarHBondContact O-CB 3.21Å; P287-L290 PolarHBondContact O-N 3.26Å; P287-I291 PolarHBondContact O-N 3.23Å; P287-I291 VanDerWaalsContact O-N 3.13Å
288P93.9Very high93.8Very high37 Ų3758 Ų5824%0.2430%0.301CS..Hα-helixtrans-55.6-36.7179.3-27.232.2000114L282 L290 I291 L292 L322 A328 L332L282-P288 HydrophobicContact CD2-CB 4.37Å; L282-P288 HydrophobicContact CD2-CG 3.81Å; P288-L290 VanDerWaalsContact C-N 3.27Å; P288-L290 PolarHBondContact O-N 3.29Å; P288-I291 PolarHBondContact O-N 3.1Å; P288-L292 WeakPolarHBondContact O-CB 3.41Å; P288-L292 PolarHBondContact O-N 3.33Å; P288-L322 HydrophobicContact CB-CD1 4.48Å; P288-L322 HydrophobicContact CB-CD2 4.04Å; P288-A328 HydrophobicContact CB-CB 3.69Å; P288-A328 HydrophobicContact CG-CB 3.35Å; P288-L332 HydrophobicContact CB-CD1 4.33Å
289T92.3Very high93.6Very high71 Ų7157.8 Ų57.844%0.43630%0.3SS..Hα-helixtrans-65.5-31.2176.952.80000112.2P287 K293P287-T289 PolarHBondContact O-N 3.31Å; T289-K293 WeakPolarHBondContact O-CB 3.32Å; T289-K293 PolarHBondContact O-N 3.42Å
290L92.1Very high93.3Very high66 Ų6654 Ų5435%0.34629%0.287SS..Hα-helixtrans-73.6-42.5175.4-17463.4000110.9W251 I286 P287 P288 K293 R294W251-L290 HydrophobicContact CH2-CD1 4.04Å; W251-L290 HydrophobicContact CH2-CD2 3.43Å; W251-L290 VanDerWaalsContact CH2-CD2 3.43Å; W251-L290 HydrophobicContact CH2-CG 3.57Å; W251-L290 HydrophobicContact CZ2-CD2 3.75Å; W251-L290 HydrophobicContact CZ2-CG 4.39Å; W251-L290 HydrophobicContact CZ3-CD2 4Å; W251-L290 HydrophobicContact CZ3-CG 3.91Å; I286-L290 HydrophobicContact CG2-CD2 4.27Å; P287-L290 HydrophobicContact CB-CB 4.11Å; P287-L290 WeakPolarHBondContact O-CA 3.37Å; P287-L290 VanDerWaalsContact O-CB 3.31Å; P287-L290 WeakPolarHBondContact O-CB 3.21Å; P287-L290 PolarHBondContact O-N 3.26Å; P288-L290 VanDerWaalsContact C-N 3.27Å; P288-L290 PolarHBondContact O-N 3.29Å; L290-K293 PolarHBondContact O-N 2.85Å; L290-R294 WeakPolarHBondContact O-CB 3.47Å; L290-R294 PolarHBondContact O-N 2.89Å
291I95.1Very high93Very high1 Ų157.1 Ų57.11%0.00530%0.302CS..Hα-helixtrans-58.9-53.3174.4-61167000109.7L278 L281 L282 I286 P287 P288 K293 R294 L295 L332L278-I291 HydrophobicContact CD2-CG2 4.17Å; L281-I291 HydrophobicContact CB-CD1 3.69Å; L281-I291 HydrophobicContact CB-CG1 4.39Å; L281-I291 HydrophobicContact CD1-CG2 3.98Å; L282-I291 HydrophobicContact CD2-CD1 3.99Å; L282-I291 HydrophobicContact CG-CD1 4.47Å; I286-I291 HydrophobicContact CB-CD1 4.2Å; I286-I291 HydrophobicContact CB-CG1 4.32Å; I286-I291 HydrophobicContact CG2-CD1 4.23Å; I286-I291 HydrophobicContact CG2-CG1 3.79Å; P287-I291 PolarHBondContact O-N 3.23Å; P287-I291 VanDerWaalsContact O-N 3.13Å; P288-I291 PolarHBondContact O-N 3.1Å; I291-K293 PolarHBondContact O-N 3.11Å; I291-R294 PolarHBondContact O-N 3.03Å; I291-L295 WeakPolarHBondContact O-CB 3.39Å; I291-L295 PolarHBondContact O-N 3.21Å; I291-L332 HydrophobicContact CG2-CD1 4.49Å
292L94.9Very high92.6Very high1 Ų160.1 Ų60.11%0.00532%0.323CS..Hα-helixtrans-56.5-49179.118065.2000111.4P288 R294 Y296 V315 C318 D319 L322 L332 F335P288-L292 WeakPolarHBondContact O-CB 3.41Å; P288-L292 PolarHBondContact O-N 3.33Å; L292-R294 PolarHBondContact O-N 2.95Å; L292-Y296 VanDerWaalsContact O-CB 3.25Å; L292-Y296 WeakPolarHBondContact O-CB 3.34Å; L292-Y296 PolarHBondContact O-N 3.19Å; L292-V315 HydrophobicContact CD2-CG1 4.23Å; L292-V315 HydrophobicContact CG-CG1 4.27Å; L292-C318 HydrophobicContact CD1-CB 4.5Å; L292-C318 HydrophobicContact CD2-CB 4.14Å; L292-D319 HydrophobicContact CD2-CB 3.9Å; L292-L322 HydrophobicContact CB-CD1 4.2Å; L292-L322 HydrophobicContact CD2-CD1 3.63Å; L292-L322 HydrophobicContact CG-CD1 4.48Å; L292-L332 HydrophobicContact CB-CD2 3.88Å; L292-L332 HydrophobicContact CD1-CD2 4.37Å; L292-F335 HydrophobicContact CD1-CB 4.17Å; L292-F335 HydrophobicContact CD1-CD1 3.45Å; L292-F335 VanDerWaalsContact CD1-CD1 3.45Å; L292-F335 HydrophobicContact CD1-CD2 4.31Å; L292-F335 HydrophobicContact CD1-CE1 3.9Å; L292-F335 HydrophobicContact CD1-CG 3.68Å
293K93.3Very high92Very high125 Ų12558.6 Ų58.654%0.54332%0.316SS..Hα-helixtrans-59-46.9179.5-176.8177.8-179.5-179.50111.3T289 L290 I291 Y296 F297T289-K293 WeakPolarHBondContact O-CB 3.32Å; T289-K293 PolarHBondContact O-N 3.42Å; L290-K293 PolarHBondContact O-N 2.85Å; I291-K293 PolarHBondContact O-N 3.11Å; K293-Y296 PolarHBondContact O-N 2.91Å; K293-F297 HydrophobicContact CD-CE2 4.23Å; K293-F297 HydrophobicContact CG-CD2 3.82Å; K293-F297 HydrophobicContact CG-CE2 3.59Å; K293-F297 WeakPolarHBondContact O-CD2 3.38Å; K293-F297 PolarHBondContact O-N 3.37Å; K293-F297 VanDerWaalsContact O-N 3.1Å
294R93Very high91.6Very high65 Ų6559.6 Ų59.625%0.24531%0.311CS..Hα-helixtrans-73.5-39.2-175-162.741.7163.9157.8-5.7111.8W251 V255 L290 I291 L292 F297 H298W251-R294 HydrophobicContact CZ3-CB 4.42Å; W251-R294 HydrophobicContact CZ3-CG 4.47Å; V255-R294 HydrophobicContact CG1-CB 4.18Å; V255-R294 HydrophobicContact CG1-CG 4.21Å; L290-R294 WeakPolarHBondContact O-CB 3.47Å; L290-R294 PolarHBondContact O-N 2.89Å; I291-R294 PolarHBondContact O-N 3.03Å; L292-R294 PolarHBondContact O-N 2.95Å; R294-F297 PolarHBondContact O-N 3.4Å; R294-H298 WeakPolarHBondContact CD-NE2 3.49Å; R294-H298 PolarHBondContact NE-NE2 3.31Å; R294-H298 VanDerWaalsContact NE-NE2 3.13Å; R294-H298 PolarHBondContact NH1-CE1 2.93Å; R294-H298 PolarHBondContact NH1-NE2 3.47Å; R294-H298 PolarHBondContact O-CD2 3.08Å; R294-H298 PolarHBondContact O-N 3.37Å; R294-H298 VanDerWaalsContact O-N 3.17Å
295L94Very high91.2Very high3 Ų357.2 Ų57.22%0.01631%0.313CS..Hα-helixtrans-58.3-48.7171.7-170.865.9000111V255 A259 I262 I291 F297 H298 L299 F335 V336V255-L295 HydrophobicContact CG1-CB 4.23Å; V255-L295 HydrophobicContact CG1-CD1 4.31Å; A259-L295 HydrophobicContact CB-CD1 3.94Å; I262-L295 HydrophobicContact CD1-CD1 3.92Å; I262-L295 HydrophobicContact CD1-CD2 4.28Å; I291-L295 WeakPolarHBondContact O-CB 3.39Å; I291-L295 PolarHBondContact O-N 3.21Å; L295-F297 PolarHBondContact O-N 3.49Å; L295-H298 PolarHBondContact O-N 3.47Å; L295-L299 HydrophobicContact CD1-CD1 4.43Å; L295-L299 HydrophobicContact CG-CD1 4Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 3.02Å; L295-F335 HydrophobicContact CD2-CD1 4.16Å; L295-F335 HydrophobicContact CD2-CE1 3.92Å; L295-F335 HydrophobicContact CG-CE1 4.3Å; L295-V336 HydrophobicContact CD2-CG2 4.04Å
296Y94.3Very high91Very high35 Ų3555.7 Ų55.714%0.13730%0.304CS..Hα-helixtrans-57.2-49.9177.5166.5-115.8000113.2L292 K293 H298 L299 L300 V311 T312 V315L292-Y296 VanDerWaalsContact O-CB 3.25Å; L292-Y296 WeakPolarHBondContact O-CB 3.34Å; L292-Y296 PolarHBondContact O-N 3.19Å; K293-Y296 PolarHBondContact O-N 2.91Å; Y296-H298 VanDerWaalsContact C-N 3.27Å; Y296-H298 PolarHBondContact O-N 2.98Å; Y296-L299 PolarHBondContact O-N 2.92Å; Y296-L300 HydrophobicContact CE1-CD1 4.27Å; Y296-L300 HydrophobicContact CE2-CB 4.35Å; Y296-L300 HydrophobicContact CE2-CD1 3.66Å; Y296-L300 VanDerWaalsContact CZ-CD1 3.45Å; Y296-L300 VanDerWaalsContact O-CB 3.32Å; Y296-L300 WeakPolarHBondContact O-CB 3.33Å; Y296-L300 PolarHBondContact O-N 3.49Å; Y296-L300 WeakPolarHBondContact OH-CD1 3.27Å; Y296-V311 HydrophobicContact CD2-CG1 4.03Å; Y296-V311 HydrophobicContact CE2-CG1 4.05Å; Y296-T312 PolarHBondContact OH-OG1 2.89Å; Y296-V315 HydrophobicContact CD2-CB 4.3Å; Y296-V315 HydrophobicContact CD2-CG2 3.45Å; Y296-V315 VanDerWaalsContact CD2-CG2 3.45Å; Y296-V315 HydrophobicContact CE2-CG2 4.06Å; Y296-V315 HydrophobicContact CG-CG1 4.25Å; Y296-V315 HydrophobicContact CG-CG2 3.82Å
297F91.8Very high90.8Very high100 Ų10055.1 Ų55.144%0.43930%0.301SS..Hα-helixtrans-63.4-34.3-179.5-81.2-65.3000112.8K293 R294 L295 H301K293-F297 HydrophobicContact CD-CE2 4.23Å; K293-F297 HydrophobicContact CG-CD2 3.82Å; K293-F297 HydrophobicContact CG-CE2 3.59Å; K293-F297 WeakPolarHBondContact O-CD2 3.38Å; K293-F297 PolarHBondContact O-N 3.37Å; K293-F297 VanDerWaalsContact O-N 3.1Å; R294-F297 PolarHBondContact O-N 3.4Å; L295-F297 PolarHBondContact O-N 3.49Å; F297-H301 PolarHBondContact O-N 3.19Å
298H90.7Very high90.8Very high35 Ų3555.5 Ų55.516%0.16230%0.296CS..Hα-helixtrans-69-46.6174.8-77.5-52.4000112K256 A259 R294 L295 Y296 L300 H301K256-H298 WeakPolarHBondContact CE-CE1 3.31Å; K256-H298 WeakPolarHBondContact CE-NE2 3.49Å; K256-H298 WeakPolarHBondContact CG-NE2 3.22Å; A259-H298 HydrophobicContact CB-CB 4.02Å; R294-H298 WeakPolarHBondContact CD-NE2 3.49Å; R294-H298 PolarHBondContact NE-NE2 3.31Å; R294-H298 VanDerWaalsContact NE-NE2 3.13Å; R294-H298 PolarHBondContact NH1-CE1 2.93Å; R294-H298 PolarHBondContact NH1-NE2 3.47Å; R294-H298 PolarHBondContact O-CD2 3.08Å; R294-H298 PolarHBondContact O-N 3.37Å; R294-H298 VanDerWaalsContact O-N 3.17Å; L295-H298 PolarHBondContact O-N 3.47Å; Y296-H298 VanDerWaalsContact C-N 3.27Å; Y296-H298 PolarHBondContact O-N 2.98Å; H298-L300 VanDerWaalsContact C-N 3.33Å; H298-L300 PolarHBondContact O-N 3.35Å; H298-H301 PolarHBondContact O-N 3.4Å
299L91.4Very high90.7Very high0 Ų063.5 Ų63.50%032%0.322CS..Hα-helixtrans-62.8-39.8177.3-66.3175.3000111.9A259 I262 L263 L295 Y296 H301 S302 C303 F335 F339A259-L299 HydrophobicContact CB-CD2 4.01Å; A259-L299 HydrophobicContact CB-CG 4.45Å; I262-L299 HydrophobicContact CB-CD2 4.46Å; I262-L299 HydrophobicContact CG2-CD2 4.25Å; L263-L299 HydrophobicContact CD1-CD2 4.39Å; L263-L299 HydrophobicContact CD2-CD2 4.16Å; L263-L299 HydrophobicContact CG-CD2 4.01Å; L295-L299 HydrophobicContact CD1-CD1 4.43Å; L295-L299 HydrophobicContact CG-CD1 4Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 3.02Å; Y296-L299 PolarHBondContact O-N 2.92Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 2.59Å; L299-S302 PolarHBondContact O-N 3.42Å; L299-C303 PolarHBondContact O-N 3.16Å; L299-C303 PolarHBondContact O-SG 3.49Å; L299-F335 HydrophobicContact CD1-CE1 4.12Å; L299-F335 HydrophobicContact CD1-CZ 4.16Å; L299-F339 HydrophobicContact CB-CD2 4.46Å; L299-F339 HydrophobicContact CB-CE2 3.8Å; L299-F339 HydrophobicContact CB-CZ 3.89Å; L299-F339 HydrophobicContact CD1-CD1 4.02Å; L299-F339 HydrophobicContact CD1-CD2 3.95Å; L299-F339 HydrophobicContact CD1-CE1 4.1Å; L299-F339 HydrophobicContact CD1-CE2 4.02Å; L299-F339 HydrophobicContact CD1-CG 3.96Å; L299-F339 HydrophobicContact CD1-CZ 4.1Å; L299-F339 HydrophobicContact CD2-CD1 4.42Å; L299-F339 HydrophobicContact CD2-CE1 3.77Å; L299-F339 HydrophobicContact CD2-CE2 4.46Å; L299-F339 HydrophobicContact CD2-CZ 3.79Å; L299-F339 HydrophobicContact CG-CE1 4.37Å; L299-F339 HydrophobicContact CG-CE2 4.3Å; L299-F339 HydrophobicContact CG-CZ 4.13Å
300L90.4Very high90.7Very high42 Ų4261.9 Ų61.922%0.2232%0.315CS..Hα-helixtrans-65.5-30.6179.8-172.7144.6000113.2Y296 H298 S302 K308Y296-L300 HydrophobicContact CE1-CD1 4.27Å; Y296-L300 HydrophobicContact CE2-CB 4.35Å; Y296-L300 HydrophobicContact CE2-CD1 3.66Å; Y296-L300 VanDerWaalsContact CZ-CD1 3.45Å; Y296-L300 VanDerWaalsContact O-CB 3.32Å; Y296-L300 WeakPolarHBondContact O-CB 3.33Å; Y296-L300 PolarHBondContact O-N 3.49Å; Y296-L300 WeakPolarHBondContact OH-CD1 3.27Å; H298-L300 VanDerWaalsContact C-N 3.33Å; H298-L300 PolarHBondContact O-N 3.35Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-K308 HydrophobicContact CD1-CG 4.43Å; L300-K308 HydrophobicContact CD2-CD 4.21Å; L300-K308 HydrophobicContact CG-CD 4.12Å; L300-K308 HydrophobicContact CG-CG 4.16Å; L300-K308 WeakPolarHBondContact O-CE 3.34Å
301H88.7Confident90.8Very high165 Ų16558.9 Ų58.976%0.76430%0.3SS*.Hα-helixtrans-66.6-33.1176.6-171.270.2000112F297 H298 L299F297-H301 PolarHBondContact O-N 3.19Å; H298-H301 PolarHBondContact O-N 3.4Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 2.59Å
302S85.6Confident90.7Very high68 Ų6862 Ų6248%0.47632%0.319SS..Hα-helixtrans-91.2-6.7-179.3-57.10000114.5L299 L300L299-S302 PolarHBondContact O-N 3.42Å; L300-S302 VanDerWaalsContact C-N 3.29Å
303C83.9Confident90.7Very high9 Ų967.5 Ų67.56%0.06135%0.345CS..SBendtrans-96.5147-177.9-68.20000113.2L299 K308L299-C303 PolarHBondContact O-N 3.16Å; L299-C303 PolarHBondContact O-SG 3.49Å; C303-K308 WeakPolarHBondContact O-CE 3.42Å
304D85.7Confident90.7Very high98 Ų9861.6 Ų61.652%0.52432%0.319SS..  trans-68.1156.3169.6-78.9-49.5000113.1S306 I307 K308 F346D304-S306 PolarHBondContact O-N 3.43Å; D304-I307 PolarHBondContact O-N 2.72Å; D304-K308 WeakPolarHBondContact O-CG 3.38Å; D304-K308 PolarHBondContact O-N 3.39Å; D304-F346 HydrophobicContact CB-CE1 4.33Å; D304-F346 HydrophobicContact CB-CE2 4.48Å; D304-F346 HydrophobicContact CB-CZ 3.81Å; D304-F346 WeakPolarHBondContact OD2-CE1 3.44Å; D304-F346 VanDerWaalsContact OD2-CZ 3.26Å; D304-F346 WeakPolarHBondContact OD2-CZ 3.05Å
305A86.8Confident90.8Very high80 Ų8059.4 Ų59.466%0.66131%0.313SS*.Hα-helixtrans-58.4-31-174.900000114I307 K308A305-I307 PolarHBondContact O-N 2.73Å; A305-K308 PolarHBondContact O-N 3.31Å
306S87.6Confident90.8Very high83 Ų8361.2 Ų61.258%0.5833%0.332SS*.Hα-helixtrans-63.1-39.5179.853.70000112.7D304 F346D304-S306 PolarHBondContact O-N 3.43Å; S306-F346 VanDerWaalsContact OG-CE2 3.24Å; S306-F346 WeakPolarHBondContact OG-CE2 3.31Å
307I89.3Confident90.7Very high8 Ų862.7 Ų62.74%0.04134%0.343CS..Hα-helixtrans-80.7-26.7-177.1-59.3165.9000111.8D304 A305 R309 A310 V311 I342 Y343 F346D304-I307 PolarHBondContact O-N 2.72Å; A305-I307 PolarHBondContact O-N 2.73Å; I307-R309 PolarHBondContact O-N 2.94Å; I307-R309 VanDerWaalsContact O-N 3.13Å; I307-A310 PolarHBondContact O-N 3.15Å; I307-A310 VanDerWaalsContact O-N 3.07Å; I307-V311 HydrophobicContact CG2-CG2 3.45Å; I307-V311 VanDerWaalsContact CG2-CG2 3.45Å; I307-V311 PolarHBondContact O-N 3.09Å; I307-I342 HydrophobicContact CG2-CG2 3.64Å; I307-Y343 HydrophobicContact CD1-CD2 4.1Å; I307-F346 HydrophobicContact CD1-CB 3.5Å; I307-F346 VanDerWaalsContact CD1-CB 3.5Å; I307-F346 HydrophobicContact CD1-CD1 3.21Å; I307-F346 HydrophobicContact CD1-CD2 3.66Å; I307-F346 HydrophobicContact CD1-CE1 3.74Å; I307-F346 HydrophobicContact CD1-CE2 4.17Å; I307-F346 HydrophobicContact CD1-CG 3.13Å; I307-F346 HydrophobicContact CD1-CZ 4.19Å; I307-F346 HydrophobicContact CG1-CB 3.8Å; I307-F346 HydrophobicContact CG1-CD1 4.12Å; I307-F346 HydrophobicContact CG1-CD2 3.6Å; I307-F346 HydrophobicContact CG1-CE2 4.19Å; I307-F346 HydrophobicContact CG1-CG 3.55Å
308K91.7Very high90.8Very high74 Ų7458.3 Ų58.332%0.32232%0.324SS..Hα-helixtrans-54.3-39.1-172.3-71.8-178-171.5179.10112.9L300 C303 D304 A305 T312L300-K308 HydrophobicContact CD1-CG 4.43Å; L300-K308 HydrophobicContact CD2-CD 4.21Å; L300-K308 HydrophobicContact CG-CD 4.12Å; L300-K308 HydrophobicContact CG-CG 4.16Å; L300-K308 WeakPolarHBondContact O-CE 3.34Å; C303-K308 WeakPolarHBondContact O-CE 3.42Å; D304-K308 WeakPolarHBondContact O-CG 3.38Å; D304-K308 PolarHBondContact O-N 3.39Å; A305-K308 PolarHBondContact O-N 3.31Å; K308-T312 WeakPolarHBondContact O-CB 3.4Å; K308-T312 PolarHBondContact O-N 3.22Å; K308-T312 PolarHBondContact O-OG1 3.04Å
309R92.1Very high91Very high205 Ų20560.5 Ų60.577%0.77434%0.337SS*.Hα-helixtrans-60.4-53177.2-179.4179.2172.8171.6-1.1111.8I307 V311 T312 E313I307-R309 PolarHBondContact O-N 2.94Å; I307-R309 VanDerWaalsContact O-N 3.13Å; R309-V311 VanDerWaalsContact C-N 3.34Å; R309-V311 PolarHBondContact O-N 3.2Å; R309-T312 PolarHBondContact O-N 3.12Å; R309-E313 PolarHBondContact O-N 3.23Å
310A92.4Very high91Very high36 Ų3667.7 Ų67.730%0.29837%0.365SS..Hα-helixtrans-64.8-37.5-177.100000112.3I307 A314 I342I307-A310 PolarHBondContact O-N 3.15Å; I307-A310 VanDerWaalsContact O-N 3.07Å; A310-A314 PolarHBondContact O-N 3.18Å; A310-A314 VanDerWaalsContact O-N 3.07Å; A310-I342 HydrophobicContact CB-CD1 4.15Å; A310-I342 HydrophobicContact CB-CG2 4.23Å
311V93.5Very high91.2Very high3 Ų369 Ų692%0.01837%0.372CS..Hα-helixtrans-68.4-40175.4175.40000111.2Y296 I307 R309 E313 A314 V315 F335 F339Y296-V311 HydrophobicContact CD2-CG1 4.03Å; Y296-V311 HydrophobicContact CE2-CG1 4.05Å; I307-V311 HydrophobicContact CG2-CG2 3.45Å; I307-V311 VanDerWaalsContact CG2-CG2 3.45Å; I307-V311 PolarHBondContact O-N 3.09Å; R309-V311 VanDerWaalsContact C-N 3.34Å; R309-V311 PolarHBondContact O-N 3.2Å; V311-E313 VanDerWaalsContact C-N 3.33Å; V311-E313 PolarHBondContact O-N 3.48Å; V311-A314 PolarHBondContact O-N 3.04Å; V311-V315 WeakPolarHBondContact O-CG2 3.32Å; V311-V315 PolarHBondContact O-N 3.05Å; V311-F335 HydrophobicContact CG1-CE2 4.41Å; V311-F339 HydrophobicContact CB-CD2 4.49Å; V311-F339 HydrophobicContact CG1-CD2 3.88Å; V311-F339 HydrophobicContact CG1-CE2 4.19Å; V311-F339 HydrophobicContact CG2-CD2 3.71Å; V311-F339 HydrophobicContact CG2-CE2 3.89Å
312T94.1Very high91.4Very high66 Ų6662.1 Ų62.141%0.40534%0.341SS..Hα-helixtrans-61.9-42.2177.4-55.60000111.3Y296 K308 R309 V315 G316Y296-T312 PolarHBondContact OH-OG1 2.89Å; K308-T312 WeakPolarHBondContact O-CB 3.4Å; K308-T312 PolarHBondContact O-N 3.22Å; K308-T312 PolarHBondContact O-OG1 3.04Å; R309-T312 PolarHBondContact O-N 3.12Å; T312-V315 PolarHBondContact O-N 2.84Å; T312-G316 PolarHBondContact O-N 2.86Å
313E94.4Very high91.4Very high118 Ų11863 Ų6355%0.55135%0.347SS*.Hα-helixtrans-63.2-45.8175.9-173.6174.2-176.100111.6R309 V311 V315 G316 D317R309-E313 PolarHBondContact O-N 3.23Å; V311-E313 VanDerWaalsContact C-N 3.33Å; V311-E313 PolarHBondContact O-N 3.48Å; E313-V315 VanDerWaalsContact C-N 3.29Å; E313-V315 PolarHBondContact O-N 3.19Å; E313-G316 PolarHBondContact O-N 2.85Å; E313-G316 VanDerWaalsContact O-N 3.1Å; E313-D317 PolarHBondContact O-N 2.89Å
314A93.5Very high91.6Very high1 Ų167.4 Ų67.41%0.00837%0.374CS..Hα-helixtrans-61.2-36.317700000113A310 V311 C318 F335 R338A310-A314 PolarHBondContact O-N 3.18Å; A310-A314 VanDerWaalsContact O-N 3.07Å; V311-A314 PolarHBondContact O-N 3.04Å; A314-C318 WeakPolarHBondContact O-CB 3.22Å; A314-C318 PolarHBondContact O-N 2.66Å; A314-C318 VanDerWaalsContact O-N 3.12Å; A314-F335 HydrophobicContact CB-CD2 4.47Å; A314-R338 HydrophobicContact CB-CB 4.42Å
315V94.7Very high91.7Very high18 Ų1864.2 Ų64.211%0.10936%0.364CS..Hα-helixtrans-68.5-41.4173.3173.30000111.5L292 Y296 V311 T312 E313 D317 C318 D319 F335L292-V315 HydrophobicContact CD2-CG1 4.23Å; L292-V315 HydrophobicContact CG-CG1 4.27Å; Y296-V315 HydrophobicContact CD2-CB 4.3Å; Y296-V315 HydrophobicContact CD2-CG2 3.45Å; Y296-V315 VanDerWaalsContact CD2-CG2 3.45Å; Y296-V315 HydrophobicContact CE2-CG2 4.06Å; Y296-V315 HydrophobicContact CG-CG1 4.25Å; Y296-V315 HydrophobicContact CG-CG2 3.82Å; V311-V315 WeakPolarHBondContact O-CG2 3.32Å; V311-V315 PolarHBondContact O-N 3.05Å; T312-V315 PolarHBondContact O-N 2.84Å; E313-V315 VanDerWaalsContact C-N 3.29Å; E313-V315 PolarHBondContact O-N 3.19Å; V315-D317 PolarHBondContact O-N 3.49Å; V315-C318 PolarHBondContact O-N 3.38Å; V315-D319 WeakPolarHBondContact O-CB 3.47Å; V315-D319 PolarHBondContact O-N 2.91Å; V315-F335 HydrophobicContact CB-CE2 4.35Å; V315-F335 HydrophobicContact CG2-CD2 3.77Å; V315-F335 HydrophobicContact CG2-CE1 4.43Å; V315-F335 HydrophobicContact CG2-CE2 3.11Å; V315-F335 HydrophobicContact CG2-CZ 3.49Å; V315-F335 VanDerWaalsContact CG2-CZ 3.49Å
316G93.7Very high91.7Very high41 Ų4166.2 Ų66.242%0.42337%0.373SS..Hα-helixtrans-58.2-47.2177.300000112.3T312 E313 C318 D319 Y320T312-G316 PolarHBondContact O-N 2.86Å; E313-G316 PolarHBondContact O-N 2.85Å; E313-G316 VanDerWaalsContact O-N 3.1Å; G316-C318 PolarHBondContact O-N 3.15Å; G316-D319 PolarHBondContact O-N 2.88Å; G316-Y320 PolarHBondContact O-N 3.27Å; G316-Y320 VanDerWaalsContact O-N 3.07Å
317D93.4Very high91.9Very high67 Ų6768.1 Ų68.136%0.35837%0.371SS..Hα-helixtrans-61.5-43.9175.3-66.2-22.9000111.7E313 V315 N321 R338E313-D317 PolarHBondContact O-N 2.89Å; V315-D317 PolarHBondContact O-N 3.49Å; D317-N321 WeakPolarHBondContact O-CB 3.47Å; D317-N321 PolarHBondContact O-N 3.37Å; D317-N321 PolarHBondContact O-ND2 3.24Å; D317-R338 IonicContact OD2-CZ 2.69Å; D317-R338 IonicContact OD2-NH1 2.68Å; D317-R338 PolarHBondContact OD2-NH1 2.78Å; D317-R338 IonicContact OD2-NH2 3.32Å; D317-R338 PolarHBondContact OD2-NH2 3.15Å
318C93.7Very high92Very high8 Ų868.7 Ų68.75%0.05438%0.377CS..Hα-helixtrans-65.9-44.7-179.3-176.10000111.8L292 A314 V315 G316 Y320 N321 L322 H331 F335L292-C318 HydrophobicContact CD1-CB 4.5Å; L292-C318 HydrophobicContact CD2-CB 4.14Å; A314-C318 WeakPolarHBondContact O-CB 3.22Å; A314-C318 PolarHBondContact O-N 2.66Å; A314-C318 VanDerWaalsContact O-N 3.12Å; V315-C318 PolarHBondContact O-N 3.38Å; G316-C318 PolarHBondContact O-N 3.15Å; C318-Y320 VanDerWaalsContact C-N 3.33Å; C318-Y320 PolarHBondContact O-N 3.21Å; C318-N321 PolarHBondContact O-N 2.99Å; C318-L322 WeakPolarHBondContact O-CB 3.29Å; C318-L322 WeakPolarHBondContact O-CG 3.35Å; C318-L322 PolarHBondContact O-N 3.5Å; C318-H331 VanDerWaalsContact SG-C 3.53Å; C318-H331 PolarHBondContact SG-O 2.95Å; C318-F335 HydrophobicContact CB-CB 4.04Å
319D93.5Very high92.1Very high80 Ų8065.8 Ų65.843%0.42837%0.365SS..Hα-helixtrans-62.8-41.4179-169.750000111.3L292 V315 G316 L322 S323L292-D319 HydrophobicContact CD2-CB 3.9Å; V315-D319 WeakPolarHBondContact O-CB 3.47Å; V315-D319 PolarHBondContact O-N 2.91Å; G316-D319 PolarHBondContact O-N 2.88Å; D319-L322 PolarHBondContact O-N 2.94Å; D319-S323 PolarHBondContact O-N 2.88Å
320Y92.9Very high92.3Very high151 Ų15161.6 Ų61.659%0.59235%0.353SS*.Hα-helixtrans-60.3-51.4172.4176.8-102.2000111.4G316 C318 L322 S323 V324G316-Y320 PolarHBondContact O-N 3.27Å; G316-Y320 VanDerWaalsContact O-N 3.07Å; C318-Y320 VanDerWaalsContact C-N 3.33Å; C318-Y320 PolarHBondContact O-N 3.21Å; Y320-L322 VanDerWaalsContact C-N 3.33Å; Y320-L322 PolarHBondContact O-N 3.33Å; Y320-S323 WeakPolarHBondContact O-CB 3.44Å; Y320-S323 PolarHBondContact O-N 3.32Å; Y320-S323 PolarHBondContact O-OG 3.07Å; Y320-V324 HydrophobicContact CE1-CG2 4.2Å; Y320-V324 HydrophobicContact CE2-CG2 4.23Å; Y320-V324 PolarHBondContact O-N 3.28Å
321N93.9Very high92.4Very high70 Ų7061.9 Ų61.937%0.37435%0.348SS..Hα-helixtrans-64.4-35.6-178.8-72.3-38.4000112.9D317 C318 S323 V324 G325D317-N321 WeakPolarHBondContact O-CB 3.47Å; D317-N321 PolarHBondContact O-N 3.37Å; D317-N321 PolarHBondContact O-ND2 3.24Å; C318-N321 PolarHBondContact O-N 2.99Å; N321-S323 PolarHBondContact O-N 3.39Å; N321-V324 PolarHBondContact O-N 3.2Å; N321-G325 WeakPolarHBondContact O-CA 3.43Å; N321-G325 PolarHBondContact O-N 3.02Å
322L92.3Very high92.5Very high20 Ų2061.8 Ų61.811%0.10535%0.347CS..Hα-helixtrans-60.2-32.6172.4-82.7173.6000112.5P288 L292 C318 D319 Y320 A328 H331 L332P288-L322 HydrophobicContact CB-CD1 4.48Å; P288-L322 HydrophobicContact CB-CD2 4.04Å; L292-L322 HydrophobicContact CB-CD1 4.2Å; L292-L322 HydrophobicContact CD2-CD1 3.63Å; L292-L322 HydrophobicContact CG-CD1 4.48Å; C318-L322 WeakPolarHBondContact O-CB 3.29Å; C318-L322 WeakPolarHBondContact O-CG 3.35Å; C318-L322 PolarHBondContact O-N 3.5Å; D319-L322 PolarHBondContact O-N 2.94Å; Y320-L322 VanDerWaalsContact C-N 3.33Å; Y320-L322 PolarHBondContact O-N 3.33Å; L322-A328 HydrophobicContact CD2-CB 3.9Å; L322-A328 WeakPolarHBondContact CD2-O 3.43Å; L322-H331 HydrophobicContact CD2-CB 3.61Å; L322-H331 HydrophobicContact CG-CB 3.72Å; L322-L332 HydrophobicContact CD1-CD2 4.06Å; L322-L332 HydrophobicContact CD2-CG 4.4Å
323S85.8Confident92.5Very high86 Ų8660.2 Ų60.260%0.60134%0.335SS*.Hα-helixtrans-77.4-26179.678.10000113.4D319 Y320 N321D319-S323 PolarHBondContact O-N 2.88Å; Y320-S323 WeakPolarHBondContact O-CB 3.44Å; Y320-S323 PolarHBondContact O-N 3.32Å; Y320-S323 PolarHBondContact O-OG 3.07Å; N321-S323 PolarHBondContact O-N 3.39Å
324V88.4Confident92.5Very high102 Ų10256.9 Ų56.962%0.61833%0.328SS*.Hα-helixtrans-95.4-33-179.11790000111.6Y320 N321Y320-V324 HydrophobicContact CE1-CG2 4.2Å; Y320-V324 HydrophobicContact CE2-CG2 4.23Å; Y320-V324 PolarHBondContact O-N 3.28Å; N321-V324 PolarHBondContact O-N 3.2Å
325G87.7Confident92.6Very high32 Ų3257 Ų5733%0.3333%0.328SS..  trans-79.7158.1-17600000114N321N321-G325 WeakPolarHBondContact O-CA 3.43Å; N321-G325 PolarHBondContact O-N 3.02Å
326S86.7Confident92.6Very high122 Ų12256.1 Ų56.185%0.85332%0.323SS*.SBendtrans-92.3-34.7176.6580000113.2
327K92.2Very high92.7Very high122 Ų12255.9 Ų55.953%0.5332%0.317SS..  trans-10396.2-177-69.1-177178.8-178.50110.6I329 F330 H331K327-I329 PolarHBondContact O-N 2.94Å; K327-F330 HydrophobicContact CB-CD2 3.89Å; K327-F330 HydrophobicContact CB-CE2 4.08Å; K327-F330 HydrophobicContact CB-CG 4.27Å; K327-F330 HydrophobicContact CD-CD2 4.12Å; K327-F330 HydrophobicContact CD-CE1 4.39Å; K327-F330 HydrophobicContact CD-CE2 3.41Å; K327-F330 VanDerWaalsContact CD-CE2 3.41Å; K327-F330 HydrophobicContact CD-CZ 3.57Å; K327-F330 HydrophobicContact CG-CE2 4.37Å; K327-F330 PolarHBondContact O-N 2.87Å; K327-H331 PolarHBondContact O-CD2 3.4Å
328A92.7Very high92.7Very high21 Ų2157.8 Ų57.817%0.17432%0.319CS..Hα-helixtrans-56.7-34.9-178.400000114.3L282 P288 L322 F330 H331 L332L282-A328 HydrophobicContact CD2-CB 4.29Å; P288-A328 HydrophobicContact CB-CB 3.69Å; P288-A328 HydrophobicContact CG-CB 3.35Å; L322-A328 HydrophobicContact CD2-CB 3.9Å; L322-A328 WeakPolarHBondContact CD2-O 3.43Å; A328-F330 VanDerWaalsContact C-N 3.31Å; A328-F330 PolarHBondContact O-N 3.12Å; A328-H331 PolarHBondContact O-N 3.29Å; A328-L332 WeakPolarHBondContact O-CG 3.37Å; A328-L332 PolarHBondContact O-N 3.35Å
329I93.8Very high92.7Very high13 Ų1357.4 Ų57.47%0.06732%0.317CS..Hα-helixtrans-59.6-38.4-176.7-175.560.8000113.1L278 Y279 L282 K327 H331 L332 E333L278-I329 HydrophobicContact CB-CD1 3.75Å; L278-I329 HydrophobicContact CD1-CD1 4.35Å; Y279-I329 HydrophobicContact CD2-CD1 4.29Å; Y279-I329 HydrophobicContact CD2-CG1 4.43Å; Y279-I329 HydrophobicContact CE1-CG1 4.19Å; Y279-I329 HydrophobicContact CE1-CG2 4.47Å; Y279-I329 HydrophobicContact CE2-CD1 4.23Å; Y279-I329 HydrophobicContact CE2-CG1 3.91Å; L282-I329 HydrophobicContact CD1-CB 3.88Å; L282-I329 HydrophobicContact CD1-CD1 4.16Å; K327-I329 PolarHBondContact O-N 2.94Å; I329-H331 VanDerWaalsContact C-N 3.28Å; I329-H331 PolarHBondContact O-N 3.46Å; I329-L332 PolarHBondContact O-N 2.93Å; I329-E333 VanDerWaalsContact O-CB 3.32Å; I329-E333 WeakPolarHBondContact O-CB 3.31Å; I329-E333 PolarHBondContact O-N 3.41Å
330F94.6Very high92.7Very high116 Ų11654.2 Ų54.251%0.50930%0.3SS..Hα-helixtrans-63.5-38.1-178.4-63.8-15.5000111.6K327 A328 A334K327-F330 HydrophobicContact CB-CD2 3.89Å; K327-F330 HydrophobicContact CB-CE2 4.08Å; K327-F330 HydrophobicContact CB-CG 4.27Å; K327-F330 HydrophobicContact CD-CD2 4.12Å; K327-F330 HydrophobicContact CD-CE1 4.39Å; K327-F330 HydrophobicContact CD-CE2 3.41Å; K327-F330 VanDerWaalsContact CD-CE2 3.41Å; K327-F330 HydrophobicContact CD-CZ 3.57Å; K327-F330 HydrophobicContact CG-CE2 4.37Å; K327-F330 PolarHBondContact O-N 2.87Å; A328-F330 VanDerWaalsContact C-N 3.31Å; A328-F330 PolarHBondContact O-N 3.12Å; F330-A334 WeakPolarHBondContact O-CB 3.28Å; F330-A334 PolarHBondContact O-N 3.11Å
331H95.1Very high92.7Very high42 Ų4249.5 Ų49.519%0.19429%0.289CS..Hα-helixtrans-77-41.8180-53.7-62.1000111.4C318 L322 K327 A328 I329 A334 F335C318-H331 VanDerWaalsContact SG-C 3.53Å; C318-H331 PolarHBondContact SG-O 2.95Å; L322-H331 HydrophobicContact CD2-CB 3.61Å; L322-H331 HydrophobicContact CG-CB 3.72Å; K327-H331 PolarHBondContact O-CD2 3.4Å; A328-H331 PolarHBondContact O-N 3.29Å; I329-H331 VanDerWaalsContact C-N 3.28Å; I329-H331 PolarHBondContact O-N 3.46Å; H331-A334 PolarHBondContact O-N 3.15Å; H331-F335 PolarHBondContact O-N 2.86Å
332L95Very high92.6Very high1 Ų148 Ų481%0.00528%0.281CS..Hα-helixtrans-61.3-45.9175.9-68.7177.4000111.7L278 L282 P288 I291 L292 L322 A328 I329 F335 V336L278-L332 HydrophobicContact CD1-CB 4.02Å; L282-L332 HydrophobicContact CD1-CD1 4.3Å; L282-L332 HydrophobicContact CD2-CD1 4.14Å; L282-L332 HydrophobicContact CG-CD1 4.42Å; P288-L332 HydrophobicContact CB-CD1 4.33Å; I291-L332 HydrophobicContact CG2-CD1 4.49Å; L292-L332 HydrophobicContact CB-CD2 3.88Å; L292-L332 HydrophobicContact CD1-CD2 4.37Å; L322-L332 HydrophobicContact CD1-CD2 4.06Å; L322-L332 HydrophobicContact CD2-CG 4.4Å; A328-L332 WeakPolarHBondContact O-CG 3.37Å; A328-L332 PolarHBondContact O-N 3.35Å; I329-L332 PolarHBondContact O-N 2.93Å; L332-F335 WeakPolarHBondContact O-CB 3.39Å; L332-F335 PolarHBondContact O-N 3.26Å; L332-V336 WeakPolarHBondContact O-CG2 2.96Å; L332-V336 PolarHBondContact O-N 3.06Å; L332-V336 VanDerWaalsContact O-N 3.1Å
333E95.2Very high92.5Very high33 Ų3348.9 Ų48.915%0.15428%0.283CS..Hα-helixtrans-64.4-43.2176.3-173.4-174.7167.600111.6L271 R275 I329 F335 V336 A337L271-E333 HydrophobicContact CD1-CG 4.22Å; R275-E333 IonicContact CZ-OE1 2.66Å; R275-E333 IonicContact CZ-OE2 3.21Å; R275-E333 IonicContact NE-OE1 3.82Å; R275-E333 PolarHBondContact NE-OE1 3.36Å; R275-E333 IonicContact NE-OE2 3.22Å; R275-E333 PolarHBondContact NE-OE2 2.8Å; R275-E333 IonicContact NH2-OE1 3.46Å; R275-E333 PolarHBondContact NH2-OE1 3.1Å; R275-E333 IonicContact NH2-OE2 2.58Å; R275-E333 PolarHBondContact NH2-OE2 2.75Å; I329-E333 VanDerWaalsContact O-CB 3.32Å; I329-E333 WeakPolarHBondContact O-CB 3.31Å; I329-E333 PolarHBondContact O-N 3.41Å; E333-F335 PolarHBondContact O-N 3.43Å; E333-V336 PolarHBondContact O-N 2.74Å; E333-V336 VanDerWaalsContact O-N 3.12Å; E333-A337 WeakPolarHBondContact O-CB 3.47Å; E333-A337 PolarHBondContact O-N 3.37Å
334A94.4Very high92.7Very high49 Ų4949.2 Ų49.241%0.40527%0.273SS..Hα-helixtrans-59.3-37.1176.200000112.1F330 H331 R338F330-A334 WeakPolarHBondContact O-CB 3.28Å; F330-A334 PolarHBondContact O-N 3.11Å; H331-A334 PolarHBondContact O-N 3.15Å; A334-R338 WeakPolarHBondContact O-CB 3.44Å; A334-R338 WeakPolarHBondContact O-CG 3.48Å; A334-R338 PolarHBondContact O-N 3.45Å
335F95.2Very high92.8Very high2 Ų252.8 Ų52.81%0.00928%0.275CS..Hα-helixtrans-63.5-47.8172.9167.9-110.2000112L292 L295 L299 V311 A314 V315 C318 H331 L332 E333 A337 R338 F339L292-F335 HydrophobicContact CD1-CB 4.17Å; L292-F335 HydrophobicContact CD1-CD1 3.45Å; L292-F335 VanDerWaalsContact CD1-CD1 3.45Å; L292-F335 HydrophobicContact CD1-CD2 4.31Å; L292-F335 HydrophobicContact CD1-CE1 3.9Å; L292-F335 HydrophobicContact CD1-CG 3.68Å; L295-F335 HydrophobicContact CD2-CD1 4.16Å; L295-F335 HydrophobicContact CD2-CE1 3.92Å; L295-F335 HydrophobicContact CG-CE1 4.3Å; L299-F335 HydrophobicContact CD1-CE1 4.12Å; L299-F335 HydrophobicContact CD1-CZ 4.16Å; V311-F335 HydrophobicContact CG1-CE2 4.41Å; A314-F335 HydrophobicContact CB-CD2 4.47Å; V315-F335 HydrophobicContact CB-CE2 4.35Å; V315-F335 HydrophobicContact CG2-CD2 3.77Å; V315-F335 HydrophobicContact CG2-CE1 4.43Å; V315-F335 HydrophobicContact CG2-CE2 3.11Å; V315-F335 HydrophobicContact CG2-CZ 3.49Å; V315-F335 VanDerWaalsContact CG2-CZ 3.49Å; C318-F335 HydrophobicContact CB-CB 4.04Å; H331-F335 PolarHBondContact O-N 2.86Å; L332-F335 WeakPolarHBondContact O-CB 3.39Å; L332-F335 PolarHBondContact O-N 3.26Å; E333-F335 PolarHBondContact O-N 3.43Å; F335-A337 PolarHBondContact O-N 3.01Å; F335-R338 PolarHBondContact O-N 3.21Å; F335-F339 HydrophobicContact CE2-CB 4.5Å; F335-F339 WeakPolarHBondContact O-CB 3.49Å; F335-F339 PolarHBondContact O-N 2.78Å
336V95Very high92.9Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-60.7-45.3177.91760000111I262 L271 V274 L278 L295 L332 E333 R338 F339 M340I262-V336 HydrophobicContact CD1-CG1 3.96Å; I262-V336 HydrophobicContact CD1-CG2 4.03Å; I262-V336 HydrophobicContact CG1-CG1 4Å; I262-V336 HydrophobicContact CG2-CG1 4.45Å; L271-V336 HydrophobicContact CD1-CB 4.07Å; L271-V336 HydrophobicContact CD1-CG1 3.62Å; V274-V336 HydrophobicContact CG1-CG1 3.89Å; V274-V336 HydrophobicContact CG1-CG2 4.12Å; L278-V336 HydrophobicContact CD1-CG2 4.24Å; L295-V336 HydrophobicContact CD2-CG2 4.04Å; L332-V336 WeakPolarHBondContact O-CG2 2.96Å; L332-V336 PolarHBondContact O-N 3.06Å; L332-V336 VanDerWaalsContact O-N 3.1Å; E333-V336 PolarHBondContact O-N 2.74Å; E333-V336 VanDerWaalsContact O-N 3.12Å; V336-R338 PolarHBondContact O-N 2.97Å; V336-F339 PolarHBondContact O-N 3.45Å; V336-M340 HydrophobicContact CG1-CE 3.95Å; V336-M340 HydrophobicContact CG1-CG 4.32Å; V336-M340 HydrophobicContact CG1-SD 4.09Å; V336-M340 WeakPolarHBondContact O-CB 3.28Å; V336-M340 WeakPolarHBondContact O-CG 3.5Å; V336-M340 PolarHBondContact O-N 3.25Å
337A94.7Very high92.9Very high37 Ų3751.2 Ų51.231%0.30625%0.247SC..Hα-helixtrans-61-43.7176.900000112.4L271 E333 F335 M340 S341L271-A337 HydrophobicContact CD1-CB 4.35Å; L271-A337 HydrophobicContact CD2-CB 4.01Å; E333-A337 WeakPolarHBondContact O-CB 3.47Å; E333-A337 PolarHBondContact O-N 3.37Å; F335-A337 PolarHBondContact O-N 3.01Å; A337-M340 PolarHBondContact O-N 3.2Å; A337-S341 WeakPolarHBondContact O-CB 3.41Å; A337-S341 PolarHBondContact O-N 3.39Å
338R93.5Very high92.7Very high106 Ų10650.6 Ų50.640%0.425%0.246SC..Hα-helixtrans-62.1-44.3174.1-76.5-179.474.6177.32.8111.2A314 D317 A334 F335 V336 S341 I342A314-R338 HydrophobicContact CB-CB 4.42Å; D317-R338 IonicContact OD2-CZ 2.69Å; D317-R338 IonicContact OD2-NH1 2.68Å; D317-R338 PolarHBondContact OD2-NH1 2.78Å; D317-R338 IonicContact OD2-NH2 3.32Å; D317-R338 PolarHBondContact OD2-NH2 3.15Å; A334-R338 WeakPolarHBondContact O-CB 3.44Å; A334-R338 WeakPolarHBondContact O-CG 3.48Å; A334-R338 PolarHBondContact O-N 3.45Å; F335-R338 PolarHBondContact O-N 3.21Å; V336-R338 PolarHBondContact O-N 2.97Å; R338-S341 PolarHBondContact O-N 3.36Å; R338-I342 WeakPolarHBondContact O-CD1 3.22Å; R338-I342 VanDerWaalsContact O-CG1 3.24Å; R338-I342 WeakPolarHBondContact O-CG1 3.37Å; R338-I342 PolarHBondContact O-N 2.9Å
339F93.7Very high92.2Very high1 Ų151.4 Ų51.40%0.00426%0.256CS..Hα-helixtrans-60.8-50.9177.4178.8-90.6000111.5I262 L263 L299 V311 F335 V336 S341 I342 Y343I262-F339 HydrophobicContact CG2-CD1 3.49Å; I262-F339 VanDerWaalsContact CG2-CD1 3.49Å; I262-F339 HydrophobicContact CG2-CE1 3.7Å; L263-F339 HydrophobicContact CD2-CE1 4.12Å; L263-F339 HydrophobicContact CD2-CZ 4.04Å; L299-F339 HydrophobicContact CB-CD2 4.46Å; L299-F339 HydrophobicContact CB-CE2 3.8Å; L299-F339 HydrophobicContact CB-CZ 3.89Å; L299-F339 HydrophobicContact CD1-CD1 4.02Å; L299-F339 HydrophobicContact CD1-CD2 3.95Å; L299-F339 HydrophobicContact CD1-CE1 4.1Å; L299-F339 HydrophobicContact CD1-CE2 4.02Å; L299-F339 HydrophobicContact CD1-CG 3.96Å; L299-F339 HydrophobicContact CD1-CZ 4.1Å; L299-F339 HydrophobicContact CD2-CD1 4.42Å; L299-F339 HydrophobicContact CD2-CE1 3.77Å; L299-F339 HydrophobicContact CD2-CE2 4.46Å; L299-F339 HydrophobicContact CD2-CZ 3.79Å; L299-F339 HydrophobicContact CG-CE1 4.37Å; L299-F339 HydrophobicContact CG-CE2 4.3Å; L299-F339 HydrophobicContact CG-CZ 4.13Å; V311-F339 HydrophobicContact CB-CD2 4.49Å; V311-F339 HydrophobicContact CG1-CD2 3.88Å; V311-F339 HydrophobicContact CG1-CE2 4.19Å; V311-F339 HydrophobicContact CG2-CD2 3.71Å; V311-F339 HydrophobicContact CG2-CE2 3.89Å; F335-F339 HydrophobicContact CE2-CB 4.5Å; F335-F339 WeakPolarHBondContact O-CB 3.49Å; F335-F339 PolarHBondContact O-N 2.78Å; V336-F339 PolarHBondContact O-N 3.45Å; F339-S341 VanDerWaalsContact C-N 3.29Å; F339-S341 PolarHBondContact O-N 3.46Å; F339-I342 PolarHBondContact O-N 2.86Å; F339-I342 VanDerWaalsContact O-N 3.16Å; F339-Y343 HydrophobicContact CE1-CG 4.29Å; F339-Y343 HydrophobicContact CZ-CD2 4.28Å; F339-Y343 HydrophobicContact CZ-CG 4.37Å; F339-Y343 VanDerWaalsContact O-CB 3.31Å; F339-Y343 WeakPolarHBondContact O-CB 3.2Å; F339-Y343 PolarHBondContact O-N 2.93Å
340M93.6Very high91.4Very high12 Ų1252.3 Ų52.36%0.05927%0.266CS..Hα-helixtrans-57.6-41.4178-74.7179.8166.500111.8I262 Q266 A270 L271 V274 V336 A337 K344I262-M340 HydrophobicContact CB-CE 4.23Å; I262-M340 HydrophobicContact CG1-CE 4.09Å; I262-M340 HydrophobicContact CG2-CE 4.08Å; I262-M340 HydrophobicContact CG2-CG 4.06Å; Q266-M340 HydrophobicContact CB-CB 4.27Å; Q266-M340 HydrophobicContact CG-CB 4.2Å; Q266-M340 HydrophobicContact CG-CG 4.31Å; A270-M340 HydrophobicContact CB-CE 4.31Å; L271-M340 HydrophobicContact CB-SD 4.09Å; L271-M340 HydrophobicContact CD1-SD 4.13Å; V274-M340 HydrophobicContact CG2-CE 4.25Å; V336-M340 HydrophobicContact CG1-CE 3.95Å; V336-M340 HydrophobicContact CG1-CG 4.32Å; V336-M340 HydrophobicContact CG1-SD 4.09Å; V336-M340 WeakPolarHBondContact O-CB 3.28Å; V336-M340 WeakPolarHBondContact O-CG 3.5Å; V336-M340 PolarHBondContact O-N 3.25Å; A337-M340 PolarHBondContact O-N 3.2Å; M340-K344 WeakPolarHBondContact O-CB 3.35Å; M340-K344 PolarHBondContact O-N 3.4Å
341S92.7Very high90.2Very high52 Ų5252.4 Ų52.436%0.36427%0.271SS..Hα-helixtrans-66.1-40.9176.81800000112.9A337 R338 F339 R345A337-S341 WeakPolarHBondContact O-CB 3.41Å; A337-S341 PolarHBondContact O-N 3.39Å; R338-S341 PolarHBondContact O-N 3.36Å; F339-S341 VanDerWaalsContact C-N 3.29Å; F339-S341 PolarHBondContact O-N 3.46Å; S341-R345 VanDerWaalsContact O-CG 3.31Å; S341-R345 WeakPolarHBondContact O-CG 3.28Å; S341-R345 PolarHBondContact O-N 3.12Å
342I91.4Very high88.7Confident40 Ų4052.3 Ų52.321%0.20528%0.282CS..Hα-helixtrans-68.5-45.7178.6-67.1164000109.9I307 A310 R338 F339 R345 F346I307-I342 HydrophobicContact CG2-CG2 3.64Å; A310-I342 HydrophobicContact CB-CD1 4.15Å; A310-I342 HydrophobicContact CB-CG2 4.23Å; R338-I342 WeakPolarHBondContact O-CD1 3.22Å; R338-I342 VanDerWaalsContact O-CG1 3.24Å; R338-I342 WeakPolarHBondContact O-CG1 3.37Å; R338-I342 PolarHBondContact O-N 2.9Å; F339-I342 PolarHBondContact O-N 2.86Å; F339-I342 VanDerWaalsContact O-N 3.16Å; I342-R345 PolarHBondContact O-N 3.05Å; I342-F346 PolarHBondContact O-N 3.3Å
343Y91.1Very high87Confident38 Ų3859.2 Ų59.215%0.14932%0.319CS..Hα-helixtrans-65.6-43-178.6-169.1-109.2000111.7L263 Q266 I307 F339 F346 L347L263-Y343 HydrophobicContact CD2-CE1 4.17Å; L263-Y343 HydrophobicContact CD2-CE2 4.21Å; Q266-Y343 HydrophobicContact CG-CD1 4.09Å; I307-Y343 HydrophobicContact CD1-CD2 4.1Å; F339-Y343 HydrophobicContact CE1-CG 4.29Å; F339-Y343 HydrophobicContact CZ-CD2 4.28Å; F339-Y343 HydrophobicContact CZ-CG 4.37Å; F339-Y343 VanDerWaalsContact O-CB 3.31Å; F339-Y343 WeakPolarHBondContact O-CB 3.2Å; F339-Y343 PolarHBondContact O-N 2.93Å; Y343-F346 WeakPolarHBondContact O-CB 3.47Å; Y343-F346 PolarHBondContact O-N 3.15Å; Y343-L347 HydrophobicContact CD1-CD1 3.85Å; Y343-L347 HydrophobicContact CD1-CG 4.36Å; Y343-L347 HydrophobicContact CE1-CD1 3.56Å; Y343-L347 HydrophobicContact CE1-CG 4.13Å; Y343-L347 WeakPolarHBondContact O-CG 3.24Å; Y343-L347 PolarHBondContact O-N 2.99Å
344K90.8Very high85.1Confident92 Ų9266.1 Ų66.140%0.435%0.349SS..Hα-helixtrans-61-45.7175.2-174.9174.4179.1173.70112.5Q266 M340 F346 L347 E348Q266-K344 HydrophobicContact CB-CB 3.97Å; Q266-K344 HydrophobicContact CB-CD 4.23Å; Q266-K344 HydrophobicContact CB-CG 4.42Å; Q266-K344 HydrophobicContact CG-CB 4.27Å; M340-K344 WeakPolarHBondContact O-CB 3.35Å; M340-K344 PolarHBondContact O-N 3.4Å; K344-F346 PolarHBondContact O-N 2.74Å; K344-L347 PolarHBondContact O-N 3.32Å; K344-E348 WeakPolarHBondContact CE-OE1 3.48Å; K344-E348 HydrophobicContact CG-CG 4.45Å; K344-E348 WeakPolarHBondContact O-CB 3.41Å; K344-E348 WeakPolarHBondContact O-CG 3.33Å; K344-E348 PolarHBondContact O-N 3.07Å
345R90.1Very high82.4Confident177 Ų17773.5 Ų73.567%0.66838%0.381SS*.Hα-helixtrans-60.5-36.1175.6-76.8177.8-176.5174.62.3112.4S341 I342 G349S341-R345 VanDerWaalsContact O-CG 3.31Å; S341-R345 WeakPolarHBondContact O-CG 3.28Å; S341-R345 PolarHBondContact O-N 3.12Å; I342-R345 PolarHBondContact O-N 3.05Å; R345-G349 PolarHBondContact O-N 2.77Å
346F88.8Confident81.8Confident59 Ų5977.1 Ų77.126%0.25940%0.4SS..Hα-helixtrans-68.1-44.2175.2174.5-98.7000112D304 S306 I307 I342 Y343 K344 G349 A350D304-F346 HydrophobicContact CB-CE1 4.33Å; D304-F346 HydrophobicContact CB-CE2 4.48Å; D304-F346 HydrophobicContact CB-CZ 3.81Å; D304-F346 WeakPolarHBondContact OD2-CE1 3.44Å; D304-F346 VanDerWaalsContact OD2-CZ 3.26Å; D304-F346 WeakPolarHBondContact OD2-CZ 3.05Å; S306-F346 VanDerWaalsContact OG-CE2 3.24Å; S306-F346 WeakPolarHBondContact OG-CE2 3.31Å; I307-F346 HydrophobicContact CD1-CB 3.5Å; I307-F346 VanDerWaalsContact CD1-CB 3.5Å; I307-F346 HydrophobicContact CD1-CD1 3.21Å; I307-F346 HydrophobicContact CD1-CD2 3.66Å; I307-F346 HydrophobicContact CD1-CE1 3.74Å; I307-F346 HydrophobicContact CD1-CE2 4.17Å; I307-F346 HydrophobicContact CD1-CG 3.13Å; I307-F346 HydrophobicContact CD1-CZ 4.19Å; I307-F346 HydrophobicContact CG1-CB 3.8Å; I307-F346 HydrophobicContact CG1-CD1 4.12Å; I307-F346 HydrophobicContact CG1-CD2 3.6Å; I307-F346 HydrophobicContact CG1-CE2 4.19Å; I307-F346 HydrophobicContact CG1-CG 3.55Å; I342-F346 PolarHBondContact O-N 3.3Å; Y343-F346 WeakPolarHBondContact O-CB 3.47Å; Y343-F346 PolarHBondContact O-N 3.15Å; K344-F346 PolarHBondContact O-N 2.74Å; F346-G349 PolarHBondContact O-N 3.49Å; F346-A350 WeakPolarHBondContact O-CB 3.41Å; F346-A350 PolarHBondContact O-N 2.89Å
347L87.1Confident81.1Confident62 Ų6281.1 Ų81.133%0.32542%0.421SS..Hα-helixtrans-62.3-43.1175.8-70.1176000111.8Y343 K344 A350 L351Y343-L347 HydrophobicContact CD1-CD1 3.85Å; Y343-L347 HydrophobicContact CD1-CG 4.36Å; Y343-L347 HydrophobicContact CE1-CD1 3.56Å; Y343-L347 HydrophobicContact CE1-CG 4.13Å; Y343-L347 WeakPolarHBondContact O-CG 3.24Å; Y343-L347 PolarHBondContact O-N 2.99Å; K344-L347 PolarHBondContact O-N 3.32Å; L347-A350 PolarHBondContact O-N 3.44Å; L347-L351 WeakPolarHBondContact O-CB 3.37Å; L347-L351 WeakPolarHBondContact O-CD1 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 2.94Å
348E87.1Confident80.3Confident109 Ų10983.6 Ų83.651%0.50943%0.427SS..Hα-helixtrans-63.9-41.4175.5-72.6172.2175.200111.9K344 L351 G352K344-E348 WeakPolarHBondContact CE-OE1 3.48Å; K344-E348 HydrophobicContact CG-CG 4.45Å; K344-E348 WeakPolarHBondContact O-CB 3.41Å; K344-E348 WeakPolarHBondContact O-CG 3.33Å; K344-E348 PolarHBondContact O-N 3.07Å; E348-L351 PolarHBondContact O-N 3.34Å; E348-G352 PolarHBondContact O-N 3.3Å
349G82.7Confident79.6Confident38 Ų3882.2 Ų82.239%0.39243%0.429SS..Hα-helixtrans-65.2-42.9175.200000112.7R345 F346 L351 G352 D353R345-G349 PolarHBondContact O-N 2.77Å; F346-G349 PolarHBondContact O-N 3.49Å; G349-L351 VanDerWaalsContact C-N 3.34Å; G349-L351 PolarHBondContact O-N 2.9Å; G349-G352 PolarHBondContact O-N 3.46Å; G349-G352 VanDerWaalsContact O-N 3.17Å; G349-D353 PolarHBondContact O-N 3.22Å
350A77.3Confident78.7Confident33 Ų3387.3 Ų87.327%0.27346%0.455SS..Hα-helixtrans-63.4-40.1176.200000111.6F346 L347 G352 D353 F354F346-A350 WeakPolarHBondContact O-CB 3.41Å; F346-A350 PolarHBondContact O-N 2.89Å; L347-A350 PolarHBondContact O-N 3.44Å; A350-G352 VanDerWaalsContact C-N 3.33Å; A350-D353 PolarHBondContact O-N 2.94Å; A350-F354 WeakPolarHBondContact O-CD2 3.39Å; A350-F354 WeakPolarHBondContact O-CE2 3.46Å
351L69.6Low77.7Confident117 Ų11792.3 Ų92.361%0.61348%0.482SS*.Hα-helixtrans-68.8-30.9174.3-74.4161.6000112.8L347 E348 G349 D353 F354L347-L351 WeakPolarHBondContact O-CB 3.37Å; L347-L351 WeakPolarHBondContact O-CD1 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.31Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 2.94Å; E348-L351 PolarHBondContact O-N 3.34Å; G349-L351 VanDerWaalsContact C-N 3.34Å; G349-L351 PolarHBondContact O-N 2.9Å; L351-D353 VanDerWaalsContact C-N 3.34Å; L351-F354 PolarHBondContact O-N 3.27Å
352G64.6Low76.6Confident41 Ų4195.2 Ų95.242%0.42349%0.49SS..Hα-helixtrans-68.8-28.3176.200000113.9E348 G349 A350 F354E348-G352 PolarHBondContact O-N 3.3Å; G349-G352 PolarHBondContact O-N 3.46Å; G349-G352 VanDerWaalsContact O-N 3.17Å; A350-G352 VanDerWaalsContact C-N 3.33Å; G352-F354 VanDerWaalsContact C-N 3.28Å; G352-F354 PolarHBondContact O-N 2.94Å
353D58.1Low75.5Confident145 Ų14599.5 Ų99.578%0.77551%0.512SS*.THydrogen-bonded Turntrans-79-8.2175.9-75.1-24.1000113.4G349 A350 L351G349-D353 PolarHBondContact O-N 3.22Å; A350-D353 PolarHBondContact O-N 2.94Å; L351-D353 VanDerWaalsContact C-N 3.34Å
354F54.6Low74.2Confident179 Ų179104.6 Ų104.679%0.78554%0.542SS*.THydrogen-bonded Turntrans-102.11.3177.7-71-69.4000114.5A350 L351 G352A350-F354 WeakPolarHBondContact O-CD2 3.39Å; A350-F354 WeakPolarHBondContact O-CE2 3.46Å; L351-F354 PolarHBondContact O-N 3.27Å; G352-F354 VanDerWaalsContact C-N 3.28Å; G352-F354 PolarHBondContact O-N 2.94Å
355N39.1Very low72.6Confident203 Ų203105.7 Ų105.7100%1.08656%0.555SS**  trans-116.10170.9-73-38.6000109.9

Retrieved 355 of 355 residues in 176.7 ms (Link to these results)

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