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Retrovirus Pol polyprotein

The aspartyl protease (PR) mediates the proteolytic cleavages of the Gag and Gag-Pol polyproteins after assembly of the VLP.

AlphaFold DB , UniProt , Accession A0A077Z624, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 565 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
1M46.7Very low69.7Low191 Ų19187.5 Ų87.594%0.94149%0.485SS*.  0-26.30-115.3-178.7-66.800112.7L3 E4M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.83Å; M1-E4 PolarHBondContact O-N 2.68Å
2E50.2Low69.6Low179 Ų17983.3 Ų83.384%0.83648%0.475SS*.G310 helixtrans-66-27179.8-67-178.5156.800115E4 S5E2-E4 PolarHBondContact O-N 2.69Å; E2-S5 PolarHBondContact O-OG 2.97Å
3L56.2Low69.5Low118 Ų11889.2 Ų89.262%0.61850%0.496SS*.G310 helixtrans-67.2-20176.5-85.7146.7000113.8M1M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 2.83Å
4E59.3Low70.2Confident49 Ų4984.5 Ų84.523%0.22947%0.47CS..G310 helixtrans-91.1-16.9-174.8-68.3166.2-146.200113.2M1 E2 G6 R29M1-E4 PolarHBondContact O-N 2.68Å; E2-E4 PolarHBondContact O-N 2.69Å; E4-G6 VanDerWaalsContact C-N 3.26Å; E4-G6 PolarHBondContact O-N 3Å; E4-R29 IonicContact OE1-CZ 2.68Å; E4-R29 IonicContact OE1-NH2 2.6Å; E4-R29 PolarHBondContact OE1-NH2 3.36Å
5S58.8Low71Confident106 Ų10680 Ų8074%0.74144%0.443SS*.THydrogen-bonded Turntrans-79.80.8-174.245.20000115.1E2E2-S5 PolarHBondContact O-OG 2.97Å
6G74.5Confident71.5Confident63 Ų6379.8 Ų79.865%0.64944%0.44SS*.THydrogen-bonded Turntrans-120.9-0.7-176.200000115.9E4 V8E4-G6 VanDerWaalsContact C-N 3.26Å; E4-G6 PolarHBondContact O-N 3Å; G6-V8 PolarHBondContact O-N 3.28Å
7L81.6Confident72Confident38 Ų3884.1 Ų84.120%0.19945%0.448CS..PPolyproline II helixtrans-63.6129.9-178.5-76.6171.9000110.7E21 I22 V25 I62L7-E21 HydrophobicContact CD2-CB 3.91Å; L7-I22 HydrophobicContact CD1-CD1 3.97Å; L7-I22 HydrophobicContact CD2-CD1 4.15Å; L7-V25 HydrophobicContact CD2-CG2 3.82Å; L7-V25 HydrophobicContact CG-CG2 4.44Å; L7-I62 HydrophobicContact CD1-CG2 3.8Å
8V85.6Confident73Confident34 Ų3479.4 Ų79.421%0.20642%0.423CS..PPolyproline II helixtrans-64.4138.3173.7174.10000109.4G6 N14 E21G6-V8 PolarHBondContact O-N 3.28Å; V8-N14 WeakPolarHBondContact CG1-ND2 3.17Å; V8-E21 WeakPolarHBondContact CB-OE2 3.32Å; V8-E21 WeakPolarHBondContact CG2-OE1 3.3Å; V8-E21 WeakPolarHBondContact CG2-OE2 3.48Å; V8-E21 PolarHBondContact N-OE2 3.03Å
9Q89.9Confident73.8Confident116 Ų11677.6 Ų77.654%0.54241%0.411SS..PPolyproline II helixtrans-73.3128.4172.3-170.4176.632.400110.1N11 N14 S66 L67 D68Q9-N11 PolarHBondContact O-N 3.46Å; Q9-N14 PolarHBondContact O-ND2 3.12Å; Q9-S66 CarbonylContact C-O 3.54Å; Q9-S66 VanDerWaalsContact CA-O 3.26Å; Q9-S66 WeakPolarHBondContact CA-O 3.42Å; Q9-L67 PolarHBondContact NE2-O 3.33Å; Q9-D68 HydrophobicContact CG-CB 4.47Å
10L86.7Confident74.4Confident0 Ų081.1 Ų81.10%042%0.423CS..PPolyproline II helixtrans-58.2130.6174.2-178.859.8000109.9Y15 W18 S66 L67 D68 H71 I88L10-Y15 HydrophobicContact CD1-CD2 3.83Å; L10-Y15 HydrophobicContact CD1-CG 4.43Å; L10-W18 HydrophobicContact CB-CD2 3.88Å; L10-W18 HydrophobicContact CB-CG 3.77Å; L10-W18 HydrophobicContact CD1-CB 3.89Å; L10-W18 HydrophobicContact CD1-CD2 3.86Å; L10-W18 HydrophobicContact CD1-CE3 4.03Å; L10-W18 HydrophobicContact CD1-CG 3.8Å; L10-W18 HydrophobicContact CD2-CD2 4.13Å; L10-W18 HydrophobicContact CD2-CE3 4.13Å; L10-W18 HydrophobicContact CD2-CH2 4.41Å; L10-W18 HydrophobicContact CD2-CZ2 4.37Å; L10-W18 HydrophobicContact CD2-CZ3 4.29Å; L10-W18 HydrophobicContact CG-CD2 4.16Å; L10-W18 HydrophobicContact CG-CG 4.27Å; L10-S66 PolarHBondContact N-O 3.13Å; L10-L67 HydrophobicContact CB-CD2 4.27Å; L10-L67 HydrophobicContact CD2-CD2 3.74Å; L10-D68 WeakPolarHBondContact O-CB 3.37Å; L10-D68 VanDerWaalsContact O-CG 3.24Å; L10-D68 PolarHBondContact O-N 2.93Å; L10-D68 VanDerWaalsContact O-OD2 3.13Å; L10-H71 HydrophobicContact CD2-CB 4.45Å; L10-H71 VanDerWaalsContact CD2-CE1 3.44Å; L10-H71 WeakPolarHBondContact CD2-CE1 3.44Å; L10-H71 VanDerWaalsContact CG-CE1 3.45Å; L10-H71 WeakPolarHBondContact CG-CE1 3.34Å; L10-I88 HydrophobicContact CD2-CG2 4.02Å
11N77Confident75.2Confident69 Ų6979.1 Ų79.137%0.36941%0.412SS..  trans-136.5-172.117770.532.3000111.1Q9 E13 N14 R92Q9-N11 PolarHBondContact O-N 3.46Å; N11-E13 PolarHBondContact O-N 3.24Å; N11-E13 VanDerWaalsContact O-N 3.1Å; N11-E13 PolarHBondContact OD1-N 3.07Å; N11-N14 VanDerWaalsContact CG-CG 3.4Å; N11-N14 PolarHBondContact N-OD1 2.91Å; N11-N14 PolarHBondContact ND2-ND2 2.88Å; N11-N14 PolarHBondContact OD1-N 3.14Å; N11-N14 PolarHBondContact OD1-OD1 3.16Å; N11-N14 VanDerWaalsContact OD1-OD1 3.09Å; N11-R92 PolarHBondContact O-NH2 3.29Å
12G68.3Low77.3Confident36 Ų3670 Ų7037%0.37137%0.367SS..SBendtrans-53.7-26.7179.500000115.9R92G12-R92 PolarHBondContact O-NH1 2.93Å
13E68.7Low79.1Confident161 Ų16165.3 Ų65.375%0.75235%0.345SS*.SBendtrans-125.9-20.5-160.8-63.8175.4-174.900114.2N11N11-E13 PolarHBondContact O-N 3.24Å; N11-E13 VanDerWaalsContact O-N 3.1Å; N11-E13 PolarHBondContact OD1-N 3.07Å
14N79.5Confident80.7Confident23 Ų2361.9 Ų61.912%0.12333%0.334CS..  trans-102.513.5-16970.2-4.6000114.8V8 Q9 N11 L16 R17 W18V8-N14 WeakPolarHBondContact CG1-ND2 3.17Å; Q9-N14 PolarHBondContact O-ND2 3.12Å; N11-N14 VanDerWaalsContact CG-CG 3.4Å; N11-N14 PolarHBondContact N-OD1 2.91Å; N11-N14 PolarHBondContact ND2-ND2 2.88Å; N11-N14 PolarHBondContact OD1-N 3.14Å; N11-N14 PolarHBondContact OD1-OD1 3.16Å; N11-N14 VanDerWaalsContact OD1-OD1 3.09Å; N14-L16 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 2.92Å; N14-R17 PolarHBondContact O-N 2.96Å; N14-W18 WeakPolarHBondContact O-CB 3.48Å; N14-W18 PolarHBondContact O-N 2.87Å
15Y81.9Confident82.2Confident17 Ų1760.3 Ų60.37%0.06733%0.328CS..Hα-helixtrans-51-44.6-172.8174.6-107.2000114.1L10 R17 W18 K19 I88 I89 R92 E93L10-Y15 HydrophobicContact CD1-CD2 3.83Å; L10-Y15 HydrophobicContact CD1-CG 4.43Å; Y15-R17 PolarHBondContact O-N 2.83Å; Y15-W18 HydrophobicContact CD2-CE3 4.01Å; Y15-W18 HydrophobicContact CD2-CZ3 4.44Å; Y15-W18 HydrophobicContact CE2-CE3 4.04Å; Y15-W18 HydrophobicContact CE2-CZ3 4.06Å; Y15-W18 PolarHBondContact O-N 3.5Å; Y15-K19 HydrophobicContact CE1-CD 4.15Å; Y15-K19 HydrophobicContact CE2-CB 4.48Å; Y15-K19 VanDerWaalsContact O-CB 3.26Å; Y15-K19 WeakPolarHBondContact O-CB 3.44Å; Y15-K19 PolarHBondContact O-N 3.45Å; Y15-I88 HydrophobicContact CE2-CG2 3.89Å; Y15-I89 WeakPolarHBondContact OH-CG1 3.26Å; Y15-R92 HydrophobicContact CD1-CB 3.72Å; Y15-R92 HydrophobicContact CD1-CG 4.5Å; Y15-R92 HydrophobicContact CD2-CB 3.5Å; Y15-R92 VanDerWaalsContact CD2-CB 3.5Å; Y15-R92 HydrophobicContact CD2-CG 3.51Å; Y15-R92 HydrophobicContact CE1-CB 3.8Å; Y15-R92 HydrophobicContact CE2-CB 3.57Å; Y15-R92 HydrophobicContact CE2-CG 3.88Å; Y15-R92 HydrophobicContact CG-CB 3.56Å; Y15-R92 HydrophobicContact CG-CG 3.84Å; Y15-E93 HydrophobicContact CD1-CG 4.49Å; Y15-E93 HydrophobicContact CE1-CG 3.44Å; Y15-E93 VanDerWaalsContact CE1-CG 3.44Å; Y15-E93 WeakPolarHBondContact CE1-OE1 3.34Å; Y15-E93 PolarHBondContact OH-OE1 3.45Å
16L78.4Confident83.7Confident76 Ų7655.3 Ų55.340%0.39829%0.292SS..Hα-helixtrans-63-41.6179.9-67.7174.7000112.6N14 F20 K127N14-L16 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 2.92Å; L16-F20 WeakPolarHBondContact O-CB 3.11Å; L16-F20 PolarHBondContact O-N 3.2Å; L16-F20 VanDerWaalsContact O-N 3.15Å; L16-K127 HydrophobicContact CD1-CB 4.24Å; L16-K127 HydrophobicContact CD1-CG 4.29Å
17R80.9Confident84.3Confident153 Ų15358.9 Ų58.958%0.57729%0.292SS*.Hα-helixtrans-67.6-45.1176.2176.6179.2173.1178.9-1.1110.8N14 Y15 F20 E21N14-R17 PolarHBondContact O-N 2.96Å; Y15-R17 PolarHBondContact O-N 2.83Å; R17-F20 PolarHBondContact O-N 3.36Å; R17-E21 IonicContact CZ-OE1 3.83Å; R17-E21 IonicContact NE-OE1 2.79Å; R17-E21 PolarHBondContact NE-OE1 3.47Å; R17-E21 IonicContact NH2-OE1 3.72Å; R17-E21 PolarHBondContact NH2-OE1 3.2Å; R17-E21 WeakPolarHBondContact O-CG 3Å; R17-E21 PolarHBondContact O-N 2.98Å
18W90.1Very high84.6Confident0 Ų060.5 Ų60.50%031%0.311CS..Hα-helixtrans-59.8-48.1177.9175.482.4000111.4L10 N14 Y15 F20 E21 I22 V63 S66 L67 M85 I88L10-W18 HydrophobicContact CB-CD2 3.88Å; L10-W18 HydrophobicContact CB-CG 3.77Å; L10-W18 HydrophobicContact CD1-CB 3.89Å; L10-W18 HydrophobicContact CD1-CD2 3.86Å; L10-W18 HydrophobicContact CD1-CE3 4.03Å; L10-W18 HydrophobicContact CD1-CG 3.8Å; L10-W18 HydrophobicContact CD2-CD2 4.13Å; L10-W18 HydrophobicContact CD2-CE3 4.13Å; L10-W18 HydrophobicContact CD2-CH2 4.41Å; L10-W18 HydrophobicContact CD2-CZ2 4.37Å; L10-W18 HydrophobicContact CD2-CZ3 4.29Å; L10-W18 HydrophobicContact CG-CD2 4.16Å; L10-W18 HydrophobicContact CG-CG 4.27Å; N14-W18 WeakPolarHBondContact O-CB 3.48Å; N14-W18 PolarHBondContact O-N 2.87Å; Y15-W18 HydrophobicContact CD2-CE3 4.01Å; Y15-W18 HydrophobicContact CD2-CZ3 4.44Å; Y15-W18 HydrophobicContact CE2-CE3 4.04Å; Y15-W18 HydrophobicContact CE2-CZ3 4.06Å; Y15-W18 PolarHBondContact O-N 3.5Å; W18-F20 VanDerWaalsContact C-N 3.33Å; W18-F20 PolarHBondContact O-N 3.37Å; W18-E21 PolarHBondContact O-N 2.86Å; W18-I22 HydrophobicContact CD2-CG1 3.94Å; W18-I22 HydrophobicContact CE3-CG1 4.42Å; W18-I22 HydrophobicContact CG-CG1 4.41Å; W18-I22 HydrophobicContact CH2-CG1 4.16Å; W18-I22 HydrophobicContact CZ2-CD1 4.24Å; W18-I22 HydrophobicContact CZ2-CG1 3.67Å; W18-I22 WeakPolarHBondContact O-CB 3.38Å; W18-I22 WeakPolarHBondContact O-CG1 3.47Å; W18-I22 PolarHBondContact O-N 3.2Å; W18-V63 HydrophobicContact CH2-CG1 3.99Å; W18-V63 HydrophobicContact CZ2-CG1 3.93Å; W18-S66 WeakPolarHBondContact CZ2-OG 3.46Å; W18-S66 PolarHBondContact NE1-OG 3.17Å; W18-L67 HydrophobicContact CH2-CD2 4.1Å; W18-L67 HydrophobicContact CZ2-CD2 3.61Å; W18-M85 HydrophobicContact CH2-SD 4.32Å; W18-I88 HydrophobicContact CH2-CD1 3.99Å; W18-I88 HydrophobicContact CH2-CG2 4.17Å; W18-I88 HydrophobicContact CZ3-CG2 3.93Å
19K88Confident84.7Confident45 Ų4563.1 Ų63.120%0.19632%0.317CS..Hα-helixtrans-56.5-47.8177.9-176.5-178.7179.5178.80110.7Y15 I22 E23 E93Y15-K19 HydrophobicContact CE1-CD 4.15Å; Y15-K19 HydrophobicContact CE2-CB 4.48Å; Y15-K19 VanDerWaalsContact O-CB 3.26Å; Y15-K19 WeakPolarHBondContact O-CB 3.44Å; Y15-K19 PolarHBondContact O-N 3.45Å; K19-I22 PolarHBondContact O-N 3.29Å; K19-E23 WeakPolarHBondContact CE-OE1 3.4Å; K19-E23 HydrophobicContact CG-CG 4.44Å; K19-E23 WeakPolarHBondContact O-CB 3.48Å; K19-E23 WeakPolarHBondContact O-CG 3.47Å; K19-E23 PolarHBondContact O-N 2.94Å; K19-E93 IonicContact NZ-OE1 2.86Å; K19-E93 PolarHBondContact NZ-OE1 2.76Å; K19-E93 IonicContact NZ-OE2 2.84Å
20F86.4Confident84.5Confident147 Ų14762.9 Ų62.965%0.64532%0.32SS*.Hα-helixtrans-59.9-46.5176.7177.3-96.6000112.9L16 R17 W18 I22 E23 A24L16-F20 WeakPolarHBondContact O-CB 3.11Å; L16-F20 PolarHBondContact O-N 3.2Å; L16-F20 VanDerWaalsContact O-N 3.15Å; R17-F20 PolarHBondContact O-N 3.36Å; W18-F20 VanDerWaalsContact C-N 3.33Å; W18-F20 PolarHBondContact O-N 3.37Å; F20-I22 VanDerWaalsContact C-N 3.34Å; F20-I22 PolarHBondContact O-N 3.16Å; F20-E23 PolarHBondContact O-N 3.34Å; F20-A24 WeakPolarHBondContact O-CB 3.44Å; F20-A24 PolarHBondContact O-N 2.94Å; F20-A24 VanDerWaalsContact O-N 3.08Å
21E90Very high84.4Confident40 Ų4062.9 Ų62.919%0.18732%0.32CS..Hα-helixtrans-63.8-39177.9-73-179.4-162.900111.8L7 V8 R17 W18 V25L7-E21 HydrophobicContact CD2-CB 3.91Å; V8-E21 WeakPolarHBondContact CB-OE2 3.32Å; V8-E21 WeakPolarHBondContact CG2-OE1 3.3Å; V8-E21 WeakPolarHBondContact CG2-OE2 3.48Å; V8-E21 PolarHBondContact N-OE2 3.03Å; R17-E21 IonicContact CZ-OE1 3.83Å; R17-E21 IonicContact NE-OE1 2.79Å; R17-E21 PolarHBondContact NE-OE1 3.47Å; R17-E21 IonicContact NH2-OE1 3.72Å; R17-E21 PolarHBondContact NH2-OE1 3.2Å; R17-E21 WeakPolarHBondContact O-CG 3Å; R17-E21 PolarHBondContact O-N 2.98Å; W18-E21 PolarHBondContact O-N 2.86Å; E21-V25 WeakPolarHBondContact O-CG2 3.46Å; E21-V25 PolarHBondContact O-N 3.12Å; E21-V25 VanDerWaalsContact O-N 3.1Å
22I90.6Very high84.7Confident0 Ų062.2 Ų62.20%032%0.32CS..Hα-helixtrans-68-46.3177-70.1-60.2000111.9L7 W18 K19 F20 A24 V25 L26 I62 V63L7-I22 HydrophobicContact CD1-CD1 3.97Å; L7-I22 HydrophobicContact CD2-CD1 4.15Å; W18-I22 HydrophobicContact CD2-CG1 3.94Å; W18-I22 HydrophobicContact CE3-CG1 4.42Å; W18-I22 HydrophobicContact CG-CG1 4.41Å; W18-I22 HydrophobicContact CH2-CG1 4.16Å; W18-I22 HydrophobicContact CZ2-CD1 4.24Å; W18-I22 HydrophobicContact CZ2-CG1 3.67Å; W18-I22 WeakPolarHBondContact O-CB 3.38Å; W18-I22 WeakPolarHBondContact O-CG1 3.47Å; W18-I22 PolarHBondContact O-N 3.2Å; K19-I22 PolarHBondContact O-N 3.29Å; F20-I22 VanDerWaalsContact C-N 3.34Å; F20-I22 PolarHBondContact O-N 3.16Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 3.06Å; I22-V25 PolarHBondContact O-N 2.69Å; I22-L26 HydrophobicContact CG2-CD1 3.62Å; I22-L26 HydrophobicContact CG2-CG 4.18Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 VanDerWaalsContact O-CG 3.25Å; I22-L26 WeakPolarHBondContact O-CG 2.86Å; I22-L26 PolarHBondContact O-N 2.9Å; I22-I62 HydrophobicContact CD1-CG2 4.14Å; I22-V63 HydrophobicContact CD1-CG2 4.16Å; I22-V63 HydrophobicContact CG1-CG2 4.46Å; I22-V63 HydrophobicContact CG2-CG2 3.53Å
23E89.2Confident85.4Confident80 Ų8062.1 Ų62.137%0.37431%0.312SS..Hα-helixtrans-58.2-44.5177.4-75.4172.3166.200111K19 F20 V25 L26 E27K19-E23 WeakPolarHBondContact CE-OE1 3.4Å; K19-E23 HydrophobicContact CG-CG 4.44Å; K19-E23 WeakPolarHBondContact O-CB 3.48Å; K19-E23 WeakPolarHBondContact O-CG 3.47Å; K19-E23 PolarHBondContact O-N 2.94Å; F20-E23 PolarHBondContact O-N 3.34Å; E23-V25 PolarHBondContact O-N 3.09Å; E23-L26 PolarHBondContact O-N 3.26Å; E23-E27 WeakPolarHBondContact O-CB 3.29Å; E23-E27 PolarHBondContact O-N 3.04Å
24A89.5Confident86Confident47 Ų4754.7 Ų54.739%0.38828%0.277SS..Hα-helixtrans-62.2-40.1176.200000113F20 I22 A28F20-A24 WeakPolarHBondContact O-CB 3.44Å; F20-A24 PolarHBondContact O-N 2.94Å; F20-A24 VanDerWaalsContact O-N 3.08Å; I22-A24 VanDerWaalsContact C-N 3.31Å; I22-A24 PolarHBondContact O-N 3.06Å; A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.09Å
25V90.1Very high85.9Confident16 Ų1654.8 Ų54.810%0.09728%0.278CS..Hα-helixtrans-71.4-36.6177.8170.90000111.9L7 E21 I22 E23 A28 R29 I62L7-V25 HydrophobicContact CD2-CG2 3.82Å; L7-V25 HydrophobicContact CG-CG2 4.44Å; E21-V25 WeakPolarHBondContact O-CG2 3.46Å; E21-V25 PolarHBondContact O-N 3.12Å; E21-V25 VanDerWaalsContact O-N 3.1Å; I22-V25 PolarHBondContact O-N 2.69Å; E23-V25 PolarHBondContact O-N 3.09Å; V25-A28 PolarHBondContact O-N 3Å; V25-R29 WeakPolarHBondContact O-CB 3.43Å; V25-R29 VanDerWaalsContact O-CG 3.31Å; V25-R29 WeakPolarHBondContact O-CG 3.48Å; V25-R29 PolarHBondContact O-N 3.1Å; V25-R29 VanDerWaalsContact O-N 3.16Å; V25-I62 HydrophobicContact CG1-CD1 4.06Å; V25-I62 HydrophobicContact CG1-CG2 3.8Å
26L90Very high85.5Confident0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-69.2-39.5176.7-69.1171000111.8I22 E23 R29 D30 C31 V35 A59 I62 F81I22-L26 HydrophobicContact CG2-CD1 3.62Å; I22-L26 HydrophobicContact CG2-CG 4.18Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 VanDerWaalsContact O-CG 3.25Å; I22-L26 WeakPolarHBondContact O-CG 2.86Å; I22-L26 PolarHBondContact O-N 2.9Å; E23-L26 PolarHBondContact O-N 3.26Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 PolarHBondContact O-N 2.98Å; L26-D30 PolarHBondContact O-N 3.31Å; L26-C31 HydrophobicContact CB-CB 4.46Å; L26-C31 HydrophobicContact CD2-CB 4.04Å; L26-C31 PolarHBondContact O-N 2.82Å; L26-V35 HydrophobicContact CD1-CG2 3.51Å; L26-A59 HydrophobicContact CD2-CB 3.6Å; L26-I62 HydrophobicContact CD2-CD1 4.45Å; L26-F81 HydrophobicContact CD1-CE1 4.29Å; L26-F81 HydrophobicContact CD1-CE2 4.33Å; L26-F81 HydrophobicContact CD1-CZ 3.52Å; L26-F81 HydrophobicContact CD2-CE2 4.5Å; L26-F81 HydrophobicContact CD2-CZ 4.18Å
27E88.3Confident85.4Confident139 Ų13954.6 Ų54.665%0.6529%0.29SS*.Hα-helixtrans-61.2-46.1172.3-172175.2-170.500110.9E23 R29 D30E23-E27 WeakPolarHBondContact O-CB 3.29Å; E23-E27 PolarHBondContact O-N 3.04Å; E27-R29 PolarHBondContact O-N 3.07Å; E27-R29 VanDerWaalsContact O-N 3.1Å; E27-D30 PolarHBondContact O-N 3.29Å
28A88.4Confident85.2Confident72 Ų7254.9 Ų54.960%0.59530%0.297SS*.Hα-helixtrans-62.9-18.217600000114.2A24 V25A24-A28 WeakPolarHBondContact O-CB 3.36Å; A24-A28 PolarHBondContact O-N 3.09Å; V25-A28 PolarHBondContact O-N 3Å
29R86.3Confident84.6Confident88 Ų8855.8 Ų55.833%0.33231%0.305SS..THydrogen-bonded Turntrans-105.410.2178.4-68.5-66.5-173.4130.414.2113.3E4 V25 L26 E27 C31 I62E4-R29 IonicContact OE1-CZ 2.68Å; E4-R29 IonicContact OE1-NH2 2.6Å; E4-R29 PolarHBondContact OE1-NH2 3.36Å; V25-R29 WeakPolarHBondContact O-CB 3.43Å; V25-R29 VanDerWaalsContact O-CG 3.31Å; V25-R29 WeakPolarHBondContact O-CG 3.48Å; V25-R29 PolarHBondContact O-N 3.1Å; V25-R29 VanDerWaalsContact O-N 3.16Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 PolarHBondContact O-N 2.98Å; E27-R29 PolarHBondContact O-N 3.07Å; E27-R29 VanDerWaalsContact O-N 3.1Å; R29-C31 VanDerWaalsContact C-N 3.28Å; R29-C31 PolarHBondContact O-N 2.94Å; R29-C31 PolarHBondContact O-SG 2.75Å; R29-I62 HydrophobicContact CG-CD1 4.16Å
30D85.5Confident84.1Confident112 Ų11260.4 Ų60.460%0.59933%0.331SS*.THydrogen-bonded Turntrans51.550.5-177.4-169.326.9000110.9L26 E27 R55L26-D30 PolarHBondContact O-N 3.31Å; E27-D30 PolarHBondContact O-N 3.29Å; D30-R55 PolarHBondContact O-NE 3.32Å; D30-R55 PolarHBondContact O-NH2 3.43Å; D30-R55 IonicContact OD1-NH2 3.3Å; D30-R55 PolarHBondContact OD1-NH2 3.49Å; D30-R55 IonicContact OD2-NH2 3.8Å
31C86.3Confident83.8Confident0 Ų056.5 Ų56.50%032%0.321CS..  trans-131.78.3-179-67.90000112.4L26 R29 D33 L34 A59L26-C31 HydrophobicContact CB-CB 4.46Å; L26-C31 HydrophobicContact CD2-CB 4.04Å; L26-C31 PolarHBondContact O-N 2.82Å; R29-C31 VanDerWaalsContact C-N 3.28Å; R29-C31 PolarHBondContact O-N 2.94Å; R29-C31 PolarHBondContact O-SG 2.75Å; C31-D33 VanDerWaalsContact C-N 3.33Å; C31-D33 PolarHBondContact O-N 2.8Å; C31-L34 HydrophobicContact CB-CD1 4.21Å; C31-L34 WeakPolarHBondContact O-CB 3.19Å; C31-L34 PolarHBondContact O-N 3.08Å; C31-A59 HydrophobicContact CB-CB 4.21Å
32S81.8Confident83.3Confident54 Ų5456.1 Ų56.138%0.37832%0.322SS..THydrogen-bonded Turntrans-65.9-33.9-177.649.30000112.8L34 V35S32-L34 PolarHBondContact O-N 3.07Å; S32-V35 WeakPolarHBondContact O-CB 3.46Å; S32-V35 PolarHBondContact O-N 2.79Å
33D83.7Confident82.7Confident35 Ų3559.8 Ų59.819%0.18735%0.353CS..Hα-helixtrans-62.9-21.2175.461.8-19.9000114.2C31 S36 G37 E38 A39 R55C31-D33 VanDerWaalsContact C-N 3.33Å; C31-D33 PolarHBondContact O-N 2.8Å; D33-S36 PolarHBondContact O-OG 3Å; D33-S36 VanDerWaalsContact O-OG 3.06Å; D33-G37 PolarHBondContact O-N 3.49Å; D33-E38 PolarHBondContact O-N 3.12Å; D33-A39 HydrophobicContact CB-CB 4.03Å; D33-A39 PolarHBondContact O-N 3.46Å; D33-A39 VanDerWaalsContact OD2-CB 3.32Å; D33-A39 WeakPolarHBondContact OD2-CB 3.42Å; D33-R55 IonicContact OD1-CZ 3.77Å; D33-R55 IonicContact OD1-NH1 2.82Å; D33-R55 IonicContact OD1-NH2 2.83Å; D33-R55 PolarHBondContact OD1-NH2 2.98Å; D33-R55 IonicContact OD2-CZ 3.85Å; D33-R55 IonicContact OD2-NH1 3.58Å; D33-R55 PolarHBondContact OD2-NH1 3.44Å; D33-R55 IonicContact OD2-NH2 2.66Å; D33-R55 PolarHBondContact OD2-NH2 2.93Å
34L82Confident82.1Confident5 Ų563.4 Ų63.43%0.02638%0.38CS..Hα-helixtrans-75.3-27.3173-62.7172.7000112.3C31 S32 A39 W52 R55 D56 A59 F81C31-L34 HydrophobicContact CB-CD1 4.21Å; C31-L34 WeakPolarHBondContact O-CB 3.19Å; C31-L34 PolarHBondContact O-N 3.08Å; S32-L34 PolarHBondContact O-N 3.07Å; L34-A39 HydrophobicContact CD2-CB 3.99Å; L34-W52 HydrophobicContact CD2-CZ2 3.93Å; L34-R55 HydrophobicContact CD1-CB 3.79Å; L34-D56 HydrophobicContact CD1-CB 4.47Å; L34-A59 HydrophobicContact CD1-CB 4.25Å; L34-F81 HydrophobicContact CB-CD1 3.82Å; L34-F81 HydrophobicContact CB-CE1 4.15Å
35V76.9Confident81.4Confident25 Ų2564.9 Ų64.915%0.15240%0.399CS..Hα-helixtrans-72.6-45.7177.4-175.40000110.2L26 S32 G37 F81 K82 M85L26-V35 HydrophobicContact CD1-CG2 3.51Å; S32-V35 WeakPolarHBondContact O-CB 3.46Å; S32-V35 PolarHBondContact O-N 2.79Å; V35-G37 PolarHBondContact O-N 2.9Å; V35-F81 HydrophobicContact CB-CE1 4.32Å; V35-F81 HydrophobicContact CG2-CE1 3.52Å; V35-F81 HydrophobicContact CG2-CZ 3.8Å; V35-K82 WeakPolarHBondContact O-CD 3.27Å; V35-K82 WeakPolarHBondContact O-CE 3.45Å; V35-K82 PolarHBondContact O-NZ 3.23Å; V35-M85 HydrophobicContact CG1-CE 4.39Å
36S73Confident80.8Confident63 Ų6367.5 Ų67.544%0.44141%0.413SS..Hα-helixtrans-66.8-26.9178.559.80000111.9D33 E38D33-S36 PolarHBondContact O-OG 3Å; D33-S36 VanDerWaalsContact O-OG 3.06Å; S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 WeakPolarHBondContact OG-CG 3.35Å; S36-E38 PolarHBondContact OG-N 3Å
37G76.4Confident80.3Confident25 Ų2576.2 Ų76.226%0.25845%0.454SS..THydrogen-bonded Turntrans83.68.5-173.900000113.1D33 V35 A39D33-G37 PolarHBondContact O-N 3.49Å; V35-G37 PolarHBondContact O-N 2.9Å; G37-A39 VanDerWaalsContact C-N 3.31Å
38E76.7Confident80.1Confident159 Ų15976.6 Ų76.674%0.74345%0.453SS*.  trans-64.4-38.6175.6-72.5172.6176.300111.3D33 S36 L40D33-E38 PolarHBondContact O-N 3.12Å; S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 WeakPolarHBondContact OG-CG 3.35Å; S36-E38 PolarHBondContact OG-N 3Å; E38-L40 PolarHBondContact O-N 3.47Å; E38-L40 VanDerWaalsContact O-N 3.1Å
39A77.5Confident79.9Confident19 Ų1974.1 Ų74.116%0.15743%0.431CS..SBendtrans-83.282.317400000110.8D33 L34 G37 W52D33-A39 HydrophobicContact CB-CB 4.03Å; D33-A39 PolarHBondContact O-N 3.46Å; D33-A39 VanDerWaalsContact OD2-CB 3.32Å; D33-A39 WeakPolarHBondContact OD2-CB 3.42Å; L34-A39 HydrophobicContact CD2-CB 3.99Å; G37-A39 VanDerWaalsContact C-N 3.31Å; A39-W52 PolarHBondContact O-NE1 3.24Å
40L78.4Confident79.8Confident143 Ų14378.5 Ų78.575%0.74945%0.452SS*.PPolyproline II helixtrans-65.7143.5169.8-64.4174.8000110.7E38 P42E38-L40 PolarHBondContact O-N 3.47Å; E38-L40 VanDerWaalsContact O-N 3.1Å; L40-P42 WeakPolarHBondContact O-CD 3.01Å
41C78.3Confident79.9Confident64 Ų6476 Ų7643%0.43245%0.447SS..PPolyproline II helixtrans-58.6123.4174.3-1740000109.6W52C41-W52 HydrophobicContact CB-CD2 3.96Å; C41-W52 HydrophobicContact CB-CE3 3.9Å; C41-W52 HydrophobicContact CB-CH2 3.84Å; C41-W52 HydrophobicContact CB-CZ2 3.85Å; C41-W52 HydrophobicContact CB-CZ3 3.86Å; C41-W52 VanDerWaalsContact SG-CE3 3.59Å
42P80.4Confident80Confident32 Ų3277.8 Ų77.821%0.20845%0.454CS..PPolyproline II helixtrans-60.7157.7178.6-21.732.1000112.2L40 D46 K48 V49 W52L40-P42 WeakPolarHBondContact O-CD 3.01Å; P42-D46 HydrophobicContact CB-CB 4Å; P42-K48 HydrophobicContact CG-CB 4.05Å; P42-V49 HydrophobicContact CB-CG2 3.83Å; P42-V49 HydrophobicContact CG-CG2 4.48Å; P42-V49 WeakPolarHBondContact O-CG2 3.39Å; P42-W52 HydrophobicContact CG-CB 4.34Å
43A78.9Confident80.2Confident78 Ų7881.3 Ų81.365%0.64546%0.462SS*.PPolyproline II helixtrans-59.7147.9179.900000111.9G45 D46 V49A43-G45 PolarHBondContact O-N 2.97Å; A43-G45 VanDerWaalsContact O-N 3.09Å; A43-D46 WeakPolarHBondContact O-CB 3.44Å; A43-D46 PolarHBondContact O-N 3.06Å; A43-D46 VanDerWaalsContact O-N 3.07Å; A43-V49 WeakPolarHBondContact O-CG2 3.33Å
44V75.5Confident80.4Confident156 Ų15684.4 Ų84.495%0.94548%0.479SS*.THydrogen-bonded Turntrans-57.4117.1179.4-177.50000109.7
45G74.1Confident80.8Confident77 Ų7786.9 Ų86.979%0.79449%0.488SS*.THydrogen-bonded Turntrans113.4-14.6-178.600000114.5A43A43-G45 PolarHBondContact O-N 2.97Å; A43-G45 VanDerWaalsContact O-N 3.09Å
46D78.4Confident81.5Confident72 Ų7286.8 Ų86.839%0.38549%0.487SS..  trans-70.7132.7172.3-170.3-27.9000110.1P42 A43 K48 V49P42-D46 HydrophobicContact CB-CB 4Å; A43-D46 WeakPolarHBondContact O-CB 3.44Å; A43-D46 PolarHBondContact O-N 3.06Å; A43-D46 VanDerWaalsContact O-N 3.07Å; D46-K48 PolarHBondContact O-N 3.11Å; D46-K48 VanDerWaalsContact O-N 3.1Å; D46-K48 WeakPolarHBondContact OD1-CB 3.46Å; D46-K48 WeakPolarHBondContact OD1-CG 3.29Å; D46-K48 PolarHBondContact OD1-N 3.05Å; D46-V49 HydrophobicContact CB-CG2 4.13Å; D46-V49 WeakPolarHBondContact O-CB 3.39Å; D46-V49 VanDerWaalsContact O-CG2 3.27Å; D46-V49 WeakPolarHBondContact O-CG2 3.28Å; D46-V49 PolarHBondContact O-N 3.34Å
47E79.2Confident82.2Confident183 Ų18386.2 Ų86.286%0.85549%0.486SS*.THydrogen-bonded Turntrans-56.5-27.2177.2-65.6-172.1160.400112V49E47-V49 VanDerWaalsContact C-N 3.28Å; E47-V49 PolarHBondContact O-N 3.32Å
48K83.9Confident82.8Confident146 Ų14687.7 Ų87.764%0.63549%0.487SS*.Hα-helixtrans-70.4-18.2177.8-63.5176.4-177.2176.30113.8P42 D46 K50 A51 W52P42-K48 HydrophobicContact CG-CB 4.05Å; D46-K48 PolarHBondContact O-N 3.11Å; D46-K48 VanDerWaalsContact O-N 3.1Å; D46-K48 WeakPolarHBondContact OD1-CB 3.46Å; D46-K48 WeakPolarHBondContact OD1-CG 3.29Å; D46-K48 PolarHBondContact OD1-N 3.05Å; K48-K50 PolarHBondContact O-N 3.29Å; K48-A51 PolarHBondContact O-N 3.38Å; K48-A51 VanDerWaalsContact O-N 3.16Å; K48-W52 PolarHBondContact O-N 3.29Å
49V84.7Confident83.5Confident21 Ų2180.1 Ų80.113%0.12745%0.452CS..Hα-helixtrans-57.8-39.9179.5174.90000111.2P42 A43 D46 E47 W52 K53P42-V49 HydrophobicContact CB-CG2 3.83Å; P42-V49 HydrophobicContact CG-CG2 4.48Å; P42-V49 WeakPolarHBondContact O-CG2 3.39Å; A43-V49 WeakPolarHBondContact O-CG2 3.33Å; D46-V49 HydrophobicContact CB-CG2 4.13Å; D46-V49 WeakPolarHBondContact O-CB 3.39Å; D46-V49 VanDerWaalsContact O-CG2 3.27Å; D46-V49 WeakPolarHBondContact O-CG2 3.28Å; D46-V49 PolarHBondContact O-N 3.34Å; E47-V49 VanDerWaalsContact C-N 3.28Å; E47-V49 PolarHBondContact O-N 3.32Å; V49-W52 PolarHBondContact O-N 2.78Å; V49-K53 HydrophobicContact CG1-CD 4.07Å; V49-K53 HydrophobicContact CG1-CG 4.31Å; V49-K53 WeakPolarHBondContact O-CB 3.43Å; V49-K53 WeakPolarHBondContact O-CG 3.43Å; V49-K53 PolarHBondContact O-N 3.19Å
50K84.7Confident84.1Confident179 Ų17982.3 Ų82.378%0.77846%0.456SS*.Hα-helixtrans-66.1-40.2-179.2-169.9179.8179.2-176.10111.5K48 N54K48-K50 PolarHBondContact O-N 3.29Å; K50-N54 PolarHBondContact O-N 2.97Å
51A86.3Confident84.6Confident60 Ų6077.9 Ų77.950%0.49644%0.437SS..Hα-helixtrans-66.3-45.3176.200000111.3K48 N54 R55K48-A51 PolarHBondContact O-N 3.38Å; K48-A51 VanDerWaalsContact O-N 3.16Å; A51-N54 WeakPolarHBondContact O-CB 3.34Å; A51-N54 PolarHBondContact O-N 3.5Å; A51-R55 PolarHBondContact O-N 3.43Å; A51-R55 VanDerWaalsContact O-N 3.1Å
52W88.6Confident85.2Confident37 Ų3775.1 Ų75.114%0.1442%0.418CS..Hα-helixtrans-60-48.1177.1-173.395.2000112.1L34 A39 C41 P42 K48 V49 N54 R55 D56L34-W52 HydrophobicContact CD2-CZ2 3.93Å; A39-W52 PolarHBondContact O-NE1 3.24Å; C41-W52 HydrophobicContact CB-CD2 3.96Å; C41-W52 HydrophobicContact CB-CE3 3.9Å; C41-W52 HydrophobicContact CB-CH2 3.84Å; C41-W52 HydrophobicContact CB-CZ2 3.85Å; C41-W52 HydrophobicContact CB-CZ3 3.86Å; C41-W52 VanDerWaalsContact SG-CE3 3.59Å; P42-W52 HydrophobicContact CG-CB 4.34Å; K48-W52 PolarHBondContact O-N 3.29Å; V49-W52 PolarHBondContact O-N 2.78Å; W52-N54 PolarHBondContact O-N 3.42Å; W52-R55 PolarHBondContact O-N 3.47Å; W52-R55 VanDerWaalsContact O-N 3.11Å; W52-D56 HydrophobicContact CE3-CB 4.17Å; W52-D56 HydrophobicContact CH2-CB 4.03Å; W52-D56 HydrophobicContact CZ3-CB 3.82Å; W52-D56 PolarHBondContact O-N 3.43Å
53K87.1Confident85.7Confident128 Ų12873.6 Ų73.656%0.55741%0.408SS*.Hα-helixtrans-61-32.7177.6-76-176.5177.5-178.70113V49 A57V49-K53 HydrophobicContact CG1-CD 4.07Å; V49-K53 HydrophobicContact CG1-CG 4.31Å; V49-K53 WeakPolarHBondContact O-CB 3.43Å; V49-K53 WeakPolarHBondContact O-CG 3.43Å; V49-K53 PolarHBondContact O-N 3.19Å; K53-A57 VanDerWaalsContact O-CB 3.29Å; K53-A57 WeakPolarHBondContact O-CB 3.34Å; K53-A57 PolarHBondContact O-N 2.93Å
54N88.4Confident86.2Confident101 Ų10171.3 Ų71.354%0.5439%0.388SS..Hα-helixtrans-69-43.3175.6-166.729.3000111.2K50 A51 W52 A57 I58K50-N54 PolarHBondContact O-N 2.97Å; A51-N54 WeakPolarHBondContact O-CB 3.34Å; A51-N54 PolarHBondContact O-N 3.5Å; W52-N54 PolarHBondContact O-N 3.42Å; N54-A57 PolarHBondContact O-N 2.95Å; N54-I58 WeakPolarHBondContact O-CD1 3.35Å; N54-I58 VanDerWaalsContact O-CG1 3.23Å; N54-I58 WeakPolarHBondContact O-CG1 3.32Å; N54-I58 PolarHBondContact O-N 3.03Å
55R90.2Very high86.9Confident57 Ų5772.3 Ų72.322%0.21538%0.375CS..Hα-helixtrans-62.4-46.2175-65.3170.877.1-154.413.7111.3D30 D33 L34 A51 W52 A57 I58 A59D30-R55 PolarHBondContact O-NE 3.32Å; D30-R55 PolarHBondContact O-NH2 3.43Å; D30-R55 IonicContact OD1-NH2 3.3Å; D30-R55 PolarHBondContact OD1-NH2 3.49Å; D30-R55 IonicContact OD2-NH2 3.8Å; D33-R55 IonicContact OD1-CZ 3.77Å; D33-R55 IonicContact OD1-NH1 2.82Å; D33-R55 IonicContact OD1-NH2 2.83Å; D33-R55 PolarHBondContact OD1-NH2 2.98Å; D33-R55 IonicContact OD2-CZ 3.85Å; D33-R55 IonicContact OD2-NH1 3.58Å; D33-R55 PolarHBondContact OD2-NH1 3.44Å; D33-R55 IonicContact OD2-NH2 2.66Å; D33-R55 PolarHBondContact OD2-NH2 2.93Å; L34-R55 HydrophobicContact CD1-CB 3.79Å; A51-R55 PolarHBondContact O-N 3.43Å; A51-R55 VanDerWaalsContact O-N 3.1Å; W52-R55 PolarHBondContact O-N 3.47Å; W52-R55 VanDerWaalsContact O-N 3.11Å; R55-A57 PolarHBondContact O-N 3.49Å; R55-I58 PolarHBondContact O-N 2.96Å; R55-A59 WeakPolarHBondContact O-CB 3.45Å; R55-A59 PolarHBondContact O-N 3.48Å
56D89.9Confident87.7Confident22 Ų2268.9 Ų68.912%0.11834%0.338CS..Hα-helixtrans-57.7-45.4175.4-178.880.9000111.7L34 W52 I58 A59 W60 F81L34-D56 HydrophobicContact CD1-CB 4.47Å; W52-D56 HydrophobicContact CE3-CB 4.17Å; W52-D56 HydrophobicContact CH2-CB 4.03Å; W52-D56 HydrophobicContact CZ3-CB 3.82Å; W52-D56 PolarHBondContact O-N 3.43Å; D56-I58 PolarHBondContact O-N 2.85Å; D56-A59 PolarHBondContact O-N 3.4Å; D56-W60 VanDerWaalsContact O-CB 3.24Å; D56-W60 WeakPolarHBondContact O-CB 3.38Å; D56-W60 PolarHBondContact O-N 2.96Å; D56-F81 WeakPolarHBondContact OD1-CB 3.24Å; D56-F81 PolarHBondContact OD1-N 3.39Å
57A88.5Confident88.3Confident52 Ų5265.9 Ų65.943%0.4332%0.322SS..Hα-helixtrans-66.1-36.717700000113.6K53 N54 R55 S61K53-A57 VanDerWaalsContact O-CB 3.29Å; K53-A57 WeakPolarHBondContact O-CB 3.34Å; K53-A57 PolarHBondContact O-N 2.93Å; N54-A57 PolarHBondContact O-N 2.95Å; R55-A57 PolarHBondContact O-N 3.49Å; A57-S61 WeakPolarHBondContact O-CB 3.29Å; A57-S61 PolarHBondContact O-N 3.25Å
58I88.9Confident88.7Confident55 Ų5558.5 Ų58.528%0.28229%0.289SS..Hα-helixtrans-64.8-51.2175.5-71.1164.3000109.9N54 R55 D56 W60 S61 I62N54-I58 WeakPolarHBondContact O-CD1 3.35Å; N54-I58 VanDerWaalsContact O-CG1 3.23Å; N54-I58 WeakPolarHBondContact O-CG1 3.32Å; N54-I58 PolarHBondContact O-N 3.03Å; R55-I58 PolarHBondContact O-N 2.96Å; D56-I58 PolarHBondContact O-N 2.85Å; I58-W60 VanDerWaalsContact C-N 3.3Å; I58-W60 PolarHBondContact O-N 3.16Å; I58-S61 PolarHBondContact O-N 2.75Å; I58-I62 HydrophobicContact CG2-CD1 3.76Å; I58-I62 WeakPolarHBondContact O-CD1 3.37Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.49Å; I58-I62 PolarHBondContact O-N 3.11Å
59A90.8Very high88.8Confident0 Ų058.3 Ų58.30%030%0.295CS..Hα-helixtrans-59.3-43.117800000111.5L26 C31 L34 R55 D56 I62 V63 F81L26-A59 HydrophobicContact CD2-CB 3.6Å; C31-A59 HydrophobicContact CB-CB 4.21Å; L34-A59 HydrophobicContact CD1-CB 4.25Å; R55-A59 WeakPolarHBondContact O-CB 3.45Å; R55-A59 PolarHBondContact O-N 3.48Å; D56-A59 PolarHBondContact O-N 3.4Å; A59-I62 PolarHBondContact O-N 2.93Å; A59-V63 PolarHBondContact O-N 3.37Å; A59-V63 VanDerWaalsContact O-N 3.13Å; A59-F81 VanDerWaalsContact C-CD2 3.46Å; A59-F81 HydrophobicContact CB-CB 4.36Å; A59-F81 HydrophobicContact CB-CD1 3.92Å; A59-F81 HydrophobicContact CB-CD2 3.57Å; A59-F81 HydrophobicContact CB-CE1 4.07Å; A59-F81 HydrophobicContact CB-CE2 3.74Å; A59-F81 HydrophobicContact CB-CG 3.66Å; A59-F81 HydrophobicContact CB-CZ 4Å
60W90.8Very high88.7Confident65 Ų6558.3 Ų58.325%0.24629%0.293CS..Hα-helixtrans-57.3-50.6174.7-169.1-80.4000112.4D56 I58 I62 V63 S64 C78 T80 F81 M84D56-W60 VanDerWaalsContact O-CB 3.24Å; D56-W60 WeakPolarHBondContact O-CB 3.38Å; D56-W60 PolarHBondContact O-N 2.96Å; I58-W60 VanDerWaalsContact C-N 3.3Å; I58-W60 PolarHBondContact O-N 3.16Å; W60-I62 PolarHBondContact O-N 3.27Å; W60-V63 PolarHBondContact O-N 2.94Å; W60-S64 WeakPolarHBondContact O-CB 3.47Å; W60-S64 PolarHBondContact O-N 2.95Å; W60-S64 PolarHBondContact O-OG 3.18Å; W60-S64 VanDerWaalsContact O-OG 3.12Å; W60-C78 HydrophobicContact CH2-CB 3.57Å; W60-C78 VanDerWaalsContact CH2-O 3.26Å; W60-C78 WeakPolarHBondContact CH2-O 3.36Å; W60-C78 HydrophobicContact CZ3-CB 4.24Å; W60-T80 WeakPolarHBondContact CZ3-O 3.16Å; W60-F81 VanDerWaalsContact CE3-CA 3.41Å; W60-F81 HydrophobicContact CE3-CB 4.13Å; W60-M84 HydrophobicContact CB-CE 4.41Å; W60-M84 HydrophobicContact CD2-CE 3.81Å; W60-M84 HydrophobicContact CD2-SD 4.12Å; W60-M84 HydrophobicContact CE3-CB 4.1Å; W60-M84 HydrophobicContact CE3-CE 3.81Å; W60-M84 HydrophobicContact CE3-SD 4.26Å; W60-M84 HydrophobicContact CG-CE 4.11Å; W60-M84 HydrophobicContact CH2-CB 3.7Å; W60-M84 HydrophobicContact CH2-CG 4.45Å; W60-M84 HydrophobicContact CH2-SD 4.23Å; W60-M84 HydrophobicContact CZ2-CB 4.5Å; W60-M84 HydrophobicContact CZ2-SD 4.11Å; W60-M84 HydrophobicContact CZ3-CB 3.42Å; W60-M84 VanDerWaalsContact CZ3-CB 3.42Å; W60-M84 HydrophobicContact CZ3-CE 4.27Å; W60-M84 HydrophobicContact CZ3-CG 4.38Å; W60-M84 HydrophobicContact CZ3-SD 4.25Å
61S89.3Confident88.8Confident51 Ų5149.8 Ų49.836%0.35726%0.256SS..Hα-helixtrans-59.5-46.3-179.5176.20000111.6A57 I58 S64 R65A57-S61 WeakPolarHBondContact O-CB 3.29Å; A57-S61 PolarHBondContact O-N 3.25Å; I58-S61 PolarHBondContact O-N 2.75Å; S61-S64 PolarHBondContact O-OG 2.94Å; S61-R65 WeakPolarHBondContact O-CB 3.03Å; S61-R65 WeakPolarHBondContact O-CD 3.37Å; S61-R65 WeakPolarHBondContact O-CG 3.37Å; S61-R65 PolarHBondContact O-N 3.41Å
62I90.2Very high88.9Confident5 Ų550.1 Ų50.13%0.02625%0.247CC..Hα-helixtrans-58.5-53.8-179.9-68.1161000110.4L7 I22 V25 L26 R29 I58 A59 W60L7-I62 HydrophobicContact CD1-CG2 3.8Å; I22-I62 HydrophobicContact CD1-CG2 4.14Å; V25-I62 HydrophobicContact CG1-CD1 4.06Å; V25-I62 HydrophobicContact CG1-CG2 3.8Å; L26-I62 HydrophobicContact CD2-CD1 4.45Å; R29-I62 HydrophobicContact CG-CD1 4.16Å; I58-I62 HydrophobicContact CG2-CD1 3.76Å; I58-I62 WeakPolarHBondContact O-CD1 3.37Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.49Å; I58-I62 PolarHBondContact O-N 3.11Å; A59-I62 PolarHBondContact O-N 2.93Å; W60-I62 PolarHBondContact O-N 3.27Å
63V91.1Very high88.7Confident0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-66.5-48.7-177.7165.70000110.9W18 I22 A59 W60 R65 S66 L67 F81 M84 M85 I88W18-V63 HydrophobicContact CH2-CG1 3.99Å; W18-V63 HydrophobicContact CZ2-CG1 3.93Å; I22-V63 HydrophobicContact CD1-CG2 4.16Å; I22-V63 HydrophobicContact CG1-CG2 4.46Å; I22-V63 HydrophobicContact CG2-CG2 3.53Å; A59-V63 PolarHBondContact O-N 3.37Å; A59-V63 VanDerWaalsContact O-N 3.13Å; W60-V63 PolarHBondContact O-N 2.94Å; V63-R65 PolarHBondContact O-N 3.45Å; V63-R65 VanDerWaalsContact O-N 3.11Å; V63-S66 WeakPolarHBondContact O-CA 3.44Å; V63-S66 PolarHBondContact O-N 3Å; V63-S66 PolarHBondContact O-OG 2.91Å; V63-L67 HydrophobicContact CG1-CD1 4.39Å; V63-L67 HydrophobicContact CG1-CD2 4.3Å; V63-L67 HydrophobicContact CG1-CG 4.39Å; V63-L67 WeakPolarHBondContact O-CG 3.33Å; V63-L67 PolarHBondContact O-N 2.87Å; V63-F81 HydrophobicContact CB-CE2 4.16Å; V63-F81 HydrophobicContact CG2-CE2 3.68Å; V63-F81 HydrophobicContact CG2-CZ 4.37Å; V63-M84 HydrophobicContact CB-CE 3.59Å; V63-M84 HydrophobicContact CG1-CE 3.49Å; V63-M84 VanDerWaalsContact CG1-CE 3.49Å; V63-M84 HydrophobicContact CG1-CG 4.38Å; V63-M84 HydrophobicContact CG1-SD 3.89Å; V63-M85 HydrophobicContact CG1-SD 4.19Å; V63-M85 HydrophobicContact CG2-SD 4.05Å; V63-I88 HydrophobicContact CG1-CD1 3.84Å
64S90.4Very high88.6Confident31 Ų3147.6 Ų47.622%0.21725%0.245CC..Hα-helixtrans-56.7-33.5-17772.20000113.7W60 S61 S66W60-S64 WeakPolarHBondContact O-CB 3.47Å; W60-S64 PolarHBondContact O-N 2.95Å; W60-S64 PolarHBondContact O-OG 3.18Å; W60-S64 VanDerWaalsContact O-OG 3.12Å; S61-S64 PolarHBondContact O-OG 2.94Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.27Å
65R89.2Confident88.7Confident177 Ų17743 Ų4367%0.66822%0.221SC*.Hα-helixtrans-76-19.2179.2-71.517061.576.43.8113.1S61 V63S61-R65 WeakPolarHBondContact O-CB 3.03Å; S61-R65 WeakPolarHBondContact O-CD 3.37Å; S61-R65 WeakPolarHBondContact O-CG 3.37Å; S61-R65 PolarHBondContact O-N 3.41Å; V63-R65 PolarHBondContact O-N 3.45Å; V63-R65 VanDerWaalsContact O-N 3.11Å
66S91.4Very high88.5Confident5 Ų549.2 Ų49.24%0.03524%0.244CC..THydrogen-bonded Turntrans-96-2.118074.40000113.4Q9 L10 W18 V63 S64Q9-S66 CarbonylContact C-O 3.54Å; Q9-S66 VanDerWaalsContact CA-O 3.26Å; Q9-S66 WeakPolarHBondContact CA-O 3.42Å; L10-S66 PolarHBondContact N-O 3.13Å; W18-S66 WeakPolarHBondContact CZ2-OG 3.46Å; W18-S66 PolarHBondContact NE1-OG 3.17Å; V63-S66 WeakPolarHBondContact O-CA 3.44Å; V63-S66 PolarHBondContact O-N 3Å; V63-S66 PolarHBondContact O-OG 2.91Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.27Å
67L91Very high88.3Confident8 Ų852.8 Ų52.84%0.04227%0.271CS..  trans-85.1148.8-179.7-60.9179.3000111.9Q9 L10 W18 V63 H71 V75 M84 I88Q9-L67 PolarHBondContact NE2-O 3.33Å; L10-L67 HydrophobicContact CB-CD2 4.27Å; L10-L67 HydrophobicContact CD2-CD2 3.74Å; W18-L67 HydrophobicContact CH2-CD2 4.1Å; W18-L67 HydrophobicContact CZ2-CD2 3.61Å; V63-L67 HydrophobicContact CG1-CD1 4.39Å; V63-L67 HydrophobicContact CG1-CD2 4.3Å; V63-L67 HydrophobicContact CG1-CG 4.39Å; V63-L67 WeakPolarHBondContact O-CG 3.33Å; V63-L67 PolarHBondContact O-N 2.87Å; L67-H71 HydrophobicContact CB-CB 4.19Å; L67-H71 HydrophobicContact CD1-CB 4.25Å; L67-H71 HydrophobicContact CD2-CB 4.03Å; L67-H71 HydrophobicContact CG-CB 4.36Å; L67-V75 HydrophobicContact CD1-CG1 4.36Å; L67-V75 HydrophobicContact CD1-CG2 3.73Å; L67-M84 HydrophobicContact CD1-SD 4.46Å; L67-I88 HydrophobicContact CD1-CD1 4.04Å; L67-I88 HydrophobicContact CD2-CD1 3.76Å; L67-I88 HydrophobicContact CD2-CG1 4.47Å
68D87.5Confident88.4Confident29 Ų2951.2 Ų51.216%0.15526%0.256CS..  trans-76.9170.9161.766.520.2000111.6Q9 L10 F70 H71 H72Q9-D68 HydrophobicContact CG-CB 4.47Å; L10-D68 WeakPolarHBondContact O-CB 3.37Å; L10-D68 VanDerWaalsContact O-CG 3.24Å; L10-D68 PolarHBondContact O-N 2.93Å; L10-D68 VanDerWaalsContact O-OD2 3.13Å; D68-F70 PolarHBondContact O-N 3.45Å; D68-F70 WeakPolarHBondContact OD1-CB 3.46Å; D68-F70 PolarHBondContact OD1-N 3.17Å; D68-F70 VanDerWaalsContact OD1-N 3.1Å; D68-H71 VanDerWaalsContact CG-ND1 3.29Å; D68-H71 PolarHBondContact O-N 2.94Å; D68-H71 IonicContact OD1-CE1 2.69Å; D68-H71 IonicContact OD1-CG 3.46Å; D68-H71 PolarHBondContact OD1-N 2.68Å; D68-H71 IonicContact OD1-ND1 2.62Å; D68-H71 PolarHBondContact OD1-ND1 2.79Å; D68-H71 IonicContact OD2-CE1 3.84Å; D68-H71 IonicContact OD2-ND1 2.73Å; D68-H71 PolarHBondContact OD2-ND1 2.8Å; D68-H72 VanDerWaalsContact O-CB 3.32Å; D68-H72 WeakPolarHBondContact O-CB 3.35Å; D68-H72 PolarHBondContact O-N 3.44Å
69D85.7Confident88.3Confident142 Ų14257 Ų5776%0.75928%0.28SS*.Hα-helixtrans-59.3-31.4179.4-69.1-23.2000112.8S73D69-S73 PolarHBondContact O-N 3.45Å; D69-S73 VanDerWaalsContact O-N 3.11Å
70F81.7Confident88.1Confident21 Ų2159 Ų599%0.09229%0.292CS..Hα-helixtrans-64.7-55.2179.6173-96.1000110.4D68 H72 S73 F74 I91 Y290 V292 E320D68-F70 PolarHBondContact O-N 3.45Å; D68-F70 WeakPolarHBondContact OD1-CB 3.46Å; D68-F70 PolarHBondContact OD1-N 3.17Å; D68-F70 VanDerWaalsContact OD1-N 3.1Å; F70-H72 VanDerWaalsContact C-N 3.3Å; F70-H72 PolarHBondContact O-N 3.47Å; F70-S73 WeakPolarHBondContact O-CB 3.48Å; F70-S73 PolarHBondContact O-N 3.02Å; F70-S73 VanDerWaalsContact O-N 3.16Å; F70-S73 PolarHBondContact O-OG 2.86Å; F70-F74 HydrophobicContact CD1-CE2 4.07Å; F70-F74 AromaticContact CD2-CE2 3.94Å; F70-F74 HydrophobicContact CD2-CE2 3.94Å; F70-F74 HydrophobicContact CE1-CD2 4.33Å; F70-F74 AromaticContact CE1-CE2 3.67Å; F70-F74 HydrophobicContact CE1-CE2 3.67Å; F70-F74 HydrophobicContact CE1-CZ 4.49Å; F70-F74 AromaticContact CE2-CE2 3.52Å; F70-F74 HydrophobicContact CE2-CE2 3.52Å; F70-F74 AromaticContact CE2-CZ 3.9Å; F70-F74 HydrophobicContact CE2-CZ 3.9Å; F70-F74 HydrophobicContact CG-CE2 4.2Å; F70-F74 HydrophobicContact CZ-CD2 4.42Å; F70-F74 AromaticContact CZ-CE2 3.38Å; F70-F74 HydrophobicContact CZ-CE2 3.38Å; F70-F74 AromaticContact CZ-CZ 3.81Å; F70-F74 HydrophobicContact CZ-CZ 3.81Å; F70-F74 WeakPolarHBondContact O-CD2 3.34Å; F70-F74 WeakPolarHBondContact O-CE2 3.27Å; F70-I91 HydrophobicContact CE1-CG2 3.98Å; F70-Y290 AromaticContact CE1-CD2 3.82Å; F70-Y290 HydrophobicContact CE1-CD2 3.82Å; F70-Y290 HydrophobicContact CE1-CE2 4.2Å; F70-Y290 HydrophobicContact CE1-CG 4.31Å; F70-Y290 HydrophobicContact CE2-CD2 4.09Å; F70-Y290 HydrophobicContact CE2-CG 4.2Å; F70-Y290 HydrophobicContact CZ-CD1 4.46Å; F70-Y290 AromaticContact CZ-CD2 3.46Å; F70-Y290 HydrophobicContact CZ-CD2 3.46Å; F70-Y290 VanDerWaalsContact CZ-CD2 3.46Å; F70-Y290 HydrophobicContact CZ-CE2 4.27Å; F70-Y290 AromaticContact CZ-CG 3.58Å; F70-Y290 HydrophobicContact CZ-CG 3.58Å; F70-V292 HydrophobicContact CE2-CG1 4.21Å; F70-E320 WeakPolarHBondContact CD2-OE1 3.39Å
71H87Confident88Confident0 Ų056 Ų560%028%0.28CS..Hα-helixtrans-67.3-35.4178.2-57.493000111.9L10 L67 D68 S73 F74 V75 R92L10-H71 HydrophobicContact CD2-CB 4.45Å; L10-H71 VanDerWaalsContact CD2-CE1 3.44Å; L10-H71 WeakPolarHBondContact CD2-CE1 3.44Å; L10-H71 VanDerWaalsContact CG-CE1 3.45Å; L10-H71 WeakPolarHBondContact CG-CE1 3.34Å; L67-H71 HydrophobicContact CB-CB 4.19Å; L67-H71 HydrophobicContact CD1-CB 4.25Å; L67-H71 HydrophobicContact CD2-CB 4.03Å; L67-H71 HydrophobicContact CG-CB 4.36Å; D68-H71 VanDerWaalsContact CG-ND1 3.29Å; D68-H71 PolarHBondContact O-N 2.94Å; D68-H71 IonicContact OD1-CE1 2.69Å; D68-H71 IonicContact OD1-CG 3.46Å; D68-H71 PolarHBondContact OD1-N 2.68Å; D68-H71 IonicContact OD1-ND1 2.62Å; D68-H71 PolarHBondContact OD1-ND1 2.79Å; D68-H71 IonicContact OD2-CE1 3.84Å; D68-H71 IonicContact OD2-ND1 2.73Å; D68-H71 PolarHBondContact OD2-ND1 2.8Å; H71-S73 PolarHBondContact O-N 2.8Å; H71-F74 PolarHBondContact O-N 2.84Å; H71-V75 PolarHBondContact O-N 3.09Å; H71-R92 PolarHBondContact CE1-NE 3.31Å; H71-R92 PolarHBondContact CE1-NH2 2.93Å; H71-R92 PolarHBondContact NE2-NE 3.24Å; H71-R92 PolarHBondContact NE2-NH2 3.41Å
72H88.4Confident87.9Confident67 Ų6756.6 Ų56.631%0.3128%0.277SS..Hα-helixtrans-56.7-33.1175.8-162.7-45.4000111.1D68 F70 F74 R76D68-H72 VanDerWaalsContact O-CB 3.32Å; D68-H72 WeakPolarHBondContact O-CB 3.35Å; D68-H72 PolarHBondContact O-N 3.44Å; F70-H72 VanDerWaalsContact C-N 3.3Å; F70-H72 PolarHBondContact O-N 3.47Å; H72-F74 VanDerWaalsContact C-N 3.32Å; H72-F74 PolarHBondContact O-N 3.34Å; H72-R76 PolarHBondContact ND1-NE 2.95Å; H72-R76 VanDerWaalsContact O-CG 3.29Å; H72-R76 WeakPolarHBondContact O-CG 3.37Å; H72-R76 PolarHBondContact O-N 3.33Å
73S85.7Confident87.9Confident64 Ų6460.3 Ų60.345%0.44829%0.294SS..Hα-helixtrans-64.2-32.1177.578.10000113.9D69 F70 H71D69-S73 PolarHBondContact O-N 3.45Å; D69-S73 VanDerWaalsContact O-N 3.11Å; F70-S73 WeakPolarHBondContact O-CB 3.48Å; F70-S73 PolarHBondContact O-N 3.02Å; F70-S73 VanDerWaalsContact O-N 3.16Å; F70-S73 PolarHBondContact O-OG 2.86Å; H71-S73 PolarHBondContact O-N 2.8Å
74F84.8Confident87.9Confident48 Ų4860.3 Ų60.321%0.21129%0.294CS..Hα-helixtrans-85.9-30.5-178.2-63.5-82.9000113.4F70 H71 H72 T87 I91 P278 V292F70-F74 HydrophobicContact CD1-CE2 4.07Å; F70-F74 AromaticContact CD2-CE2 3.94Å; F70-F74 HydrophobicContact CD2-CE2 3.94Å; F70-F74 HydrophobicContact CE1-CD2 4.33Å; F70-F74 AromaticContact CE1-CE2 3.67Å; F70-F74 HydrophobicContact CE1-CE2 3.67Å; F70-F74 HydrophobicContact CE1-CZ 4.49Å; F70-F74 AromaticContact CE2-CE2 3.52Å; F70-F74 HydrophobicContact CE2-CE2 3.52Å; F70-F74 AromaticContact CE2-CZ 3.9Å; F70-F74 HydrophobicContact CE2-CZ 3.9Å; F70-F74 HydrophobicContact CG-CE2 4.2Å; F70-F74 HydrophobicContact CZ-CD2 4.42Å; F70-F74 AromaticContact CZ-CE2 3.38Å; F70-F74 HydrophobicContact CZ-CE2 3.38Å; F70-F74 AromaticContact CZ-CZ 3.81Å; F70-F74 HydrophobicContact CZ-CZ 3.81Å; F70-F74 WeakPolarHBondContact O-CD2 3.34Å; F70-F74 WeakPolarHBondContact O-CE2 3.27Å; H71-F74 PolarHBondContact O-N 2.84Å; H72-F74 VanDerWaalsContact C-N 3.32Å; H72-F74 PolarHBondContact O-N 3.34Å; F74-T87 HydrophobicContact CB-CG2 3.89Å; F74-I91 HydrophobicContact CB-CD1 3.6Å; F74-I91 HydrophobicContact CD1-CD1 4.04Å; F74-I91 HydrophobicContact CD2-CD1 3.62Å; F74-I91 HydrophobicContact CE2-CD1 4.34Å; F74-I91 HydrophobicContact CG-CD1 3.46Å; F74-I91 VanDerWaalsContact CG-CD1 3.46Å; F74-P278 HydrophobicContact CD1-CG 4.29Å; F74-P278 HydrophobicContact CE1-CG 3.38Å; F74-P278 HydrophobicContact CE2-CG 4.41Å; F74-P278 HydrophobicContact CZ-CB 4.43Å; F74-P278 HydrophobicContact CZ-CG 3.46Å; F74-P278 VanDerWaalsContact CZ-CG 3.46Å; F74-V292 HydrophobicContact CZ-CG1 3.94Å
75V89.9Confident87.9Confident5 Ų558.9 Ų58.93%0.0328%0.284CS..Hα-helixtrans-89.9-7.8-174.2-55.40000113.5L67 H71 S77 C78 M84 T87 I88L67-V75 HydrophobicContact CD1-CG1 4.36Å; L67-V75 HydrophobicContact CD1-CG2 3.73Å; H71-V75 PolarHBondContact O-N 3.09Å; V75-S77 PolarHBondContact O-N 3.26Å; V75-C78 WeakPolarHBondContact O-CB 3.31Å; V75-C78 PolarHBondContact O-N 3.13Å; V75-C78 VanDerWaalsContact O-N 3.08Å; V75-M84 HydrophobicContact CB-CB 4.4Å; V75-M84 HydrophobicContact CB-CG 3.8Å; V75-M84 HydrophobicContact CB-SD 4.23Å; V75-M84 HydrophobicContact CG1-CB 4.47Å; V75-M84 HydrophobicContact CG1-CG 3.7Å; V75-M84 HydrophobicContact CG2-CG 4.38Å; V75-M84 HydrophobicContact CG2-SD 4.22Å; V75-T87 HydrophobicContact CG1-CG2 4.33Å; V75-I88 HydrophobicContact CG1-CD1 4.21Å; V75-I88 HydrophobicContact CG1-CG1 3.88Å
76R86Confident87.9Confident186 Ų18653.7 Ų53.770%0.70227%0.269SS*.THydrogen-bonded Turntrans-57.7-29-179.1-89.9169.8-171-169.16.4114.4H72H72-R76 PolarHBondContact ND1-NE 2.95Å; H72-R76 VanDerWaalsContact O-CG 3.29Å; H72-R76 WeakPolarHBondContact O-CG 3.37Å; H72-R76 PolarHBondContact O-N 3.33Å
77S86.6Confident87.7Confident98 Ų9855.1 Ų55.169%0.68528%0.278SS*.THydrogen-bonded Turntrans-91.6-12-179.854.80000113.7V75V75-S77 PolarHBondContact O-N 3.26Å
78C89.8Confident87.6Confident18 Ų1854.8 Ų54.812%0.12228%0.276CS..  trans-69.1144.6179.7-65.30000109.9W60 V75 E83 M84 T87W60-C78 HydrophobicContact CH2-CB 3.57Å; W60-C78 VanDerWaalsContact CH2-O 3.26Å; W60-C78 WeakPolarHBondContact CH2-O 3.36Å; W60-C78 HydrophobicContact CZ3-CB 4.24Å; V75-C78 WeakPolarHBondContact O-CB 3.31Å; V75-C78 PolarHBondContact O-N 3.13Å; V75-C78 VanDerWaalsContact O-N 3.08Å; C78-E83 HydrophobicContact CB-CB 3.93Å; C78-M84 HydrophobicContact CB-CB 4.24Å; C78-T87 PolarHBondContact SG-OG1 2.99Å; C78-T87 VanDerWaalsContact SG-OG1 3.38Å
79K86.2Confident87.5Confident178 Ų17855.4 Ų55.477%0.77428%0.279SS*.  trans-107.1-23.2-174.9-65.8-179-179174.90114.1E83K79-E83 PolarHBondContact N-OE2 3.26Å
80T86.9Confident87.4Confident42 Ų4254.3 Ų54.326%0.25827%0.268SS..SBendtrans-135145.1-175.1650000110.2W60 K82 E83 M84W60-T80 WeakPolarHBondContact CZ3-O 3.16Å; T80-K82 PolarHBondContact O-N 2.87Å; T80-E83 WeakPolarHBondContact O-CA 3.39Å; T80-E83 WeakPolarHBondContact O-CB 3.49Å; T80-E83 PolarHBondContact O-N 2.6Å; T80-E83 WeakPolarHBondContact OG1-CG 3.46Å; T80-E83 PolarHBondContact OG1-N 3.03Å; T80-M84 PolarHBondContact O-N 3.06Å
81F89.3Confident87.3Confident0 Ų053.6 Ų53.60%027%0.265CS..Hα-helixtrans-50.1-36.3-176.5168.9-101000112.8L26 L34 V35 D56 A59 W60 V63 M84 M85L26-F81 HydrophobicContact CD1-CE1 4.29Å; L26-F81 HydrophobicContact CD1-CE2 4.33Å; L26-F81 HydrophobicContact CD1-CZ 3.52Å; L26-F81 HydrophobicContact CD2-CE2 4.5Å; L26-F81 HydrophobicContact CD2-CZ 4.18Å; L34-F81 HydrophobicContact CB-CD1 3.82Å; L34-F81 HydrophobicContact CB-CE1 4.15Å; V35-F81 HydrophobicContact CB-CE1 4.32Å; V35-F81 HydrophobicContact CG2-CE1 3.52Å; V35-F81 HydrophobicContact CG2-CZ 3.8Å; D56-F81 WeakPolarHBondContact OD1-CB 3.24Å; D56-F81 PolarHBondContact OD1-N 3.39Å; A59-F81 VanDerWaalsContact C-CD2 3.46Å; A59-F81 HydrophobicContact CB-CB 4.36Å; A59-F81 HydrophobicContact CB-CD1 3.92Å; A59-F81 HydrophobicContact CB-CD2 3.57Å; A59-F81 HydrophobicContact CB-CE1 4.07Å; A59-F81 HydrophobicContact CB-CE2 3.74Å; A59-F81 HydrophobicContact CB-CG 3.66Å; A59-F81 HydrophobicContact CB-CZ 4Å; W60-F81 VanDerWaalsContact CE3-CA 3.41Å; W60-F81 HydrophobicContact CE3-CB 4.13Å; V63-F81 HydrophobicContact CB-CE2 4.16Å; V63-F81 HydrophobicContact CG2-CE2 3.68Å; V63-F81 HydrophobicContact CG2-CZ 4.37Å; F81-M84 HydrophobicContact CD2-CE 3.63Å; F81-M84 HydrophobicContact CE2-CE 4.08Å; F81-M84 PolarHBondContact O-N 2.93Å; F81-M85 HydrophobicContact CD1-CG 4.41Å; F81-M85 HydrophobicContact CD2-CG 4.24Å; F81-M85 HydrophobicContact CE1-CG 3.79Å; F81-M85 HydrophobicContact CE2-CG 3.58Å; F81-M85 HydrophobicContact CE2-SD 4.13Å; F81-M85 HydrophobicContact CZ-CG 3.3Å; F81-M85 HydrophobicContact CZ-SD 4.03Å; F81-M85 PolarHBondContact O-N 3.3Å
82K88Confident86.9Confident64 Ų6454.8 Ų54.828%0.27827%0.269SS..Hα-helixtrans-58.6-50.5174.1-175.655176.81570113V35 T80 M84 M85 D86V35-K82 WeakPolarHBondContact O-CD 3.27Å; V35-K82 WeakPolarHBondContact O-CE 3.45Å; V35-K82 PolarHBondContact O-NZ 3.23Å; T80-K82 PolarHBondContact O-N 2.87Å; K82-M84 VanDerWaalsContact C-N 3.28Å; K82-M84 PolarHBondContact O-N 2.98Å; K82-M85 PolarHBondContact O-N 3.42Å; K82-D86 WeakPolarHBondContact CE-OD1 3.45Å; K82-D86 VanDerWaalsContact CE-OD2 3.25Å; K82-D86 WeakPolarHBondContact CE-OD2 3.24Å; K82-D86 IonicContact NZ-OD1 2.94Å; K82-D86 PolarHBondContact NZ-OD1 3.44Å; K82-D86 IonicContact NZ-OD2 2.75Å; K82-D86 WeakPolarHBondContact O-CB 3.42Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.11Å
83E89.4Confident86.3Confident83 Ų8354 Ų5439%0.38827%0.266SS..Hα-helixtrans-58.8-39.1175.8-71.9173-168.800112.2C78 K79 T80 T87C78-E83 HydrophobicContact CB-CB 3.93Å; K79-E83 PolarHBondContact N-OE2 3.26Å; T80-E83 WeakPolarHBondContact O-CA 3.39Å; T80-E83 WeakPolarHBondContact O-CB 3.49Å; T80-E83 PolarHBondContact O-N 2.6Å; T80-E83 WeakPolarHBondContact OG1-CG 3.46Å; T80-E83 PolarHBondContact OG1-N 3.03Å; E83-T87 WeakPolarHBondContact O-CB 3.19Å; E83-T87 PolarHBondContact O-N 3.1Å; E83-T87 PolarHBondContact O-OG1 3.19Å
84M91.5Very high85.3Confident0 Ų052.7 Ų52.70%025%0.252CS..Hα-helixtrans-64.4-49.1176.6171.2171.369.900111.6W60 V63 L67 V75 C78 T80 F81 K82 T87 I88W60-M84 HydrophobicContact CB-CE 4.41Å; W60-M84 HydrophobicContact CD2-CE 3.81Å; W60-M84 HydrophobicContact CD2-SD 4.12Å; W60-M84 HydrophobicContact CE3-CB 4.1Å; W60-M84 HydrophobicContact CE3-CE 3.81Å; W60-M84 HydrophobicContact CE3-SD 4.26Å; W60-M84 HydrophobicContact CG-CE 4.11Å; W60-M84 HydrophobicContact CH2-CB 3.7Å; W60-M84 HydrophobicContact CH2-CG 4.45Å; W60-M84 HydrophobicContact CH2-SD 4.23Å; W60-M84 HydrophobicContact CZ2-CB 4.5Å; W60-M84 HydrophobicContact CZ2-SD 4.11Å; W60-M84 HydrophobicContact CZ3-CB 3.42Å; W60-M84 VanDerWaalsContact CZ3-CB 3.42Å; W60-M84 HydrophobicContact CZ3-CE 4.27Å; W60-M84 HydrophobicContact CZ3-CG 4.38Å; W60-M84 HydrophobicContact CZ3-SD 4.25Å; V63-M84 HydrophobicContact CB-CE 3.59Å; V63-M84 HydrophobicContact CG1-CE 3.49Å; V63-M84 VanDerWaalsContact CG1-CE 3.49Å; V63-M84 HydrophobicContact CG1-CG 4.38Å; V63-M84 HydrophobicContact CG1-SD 3.89Å; L67-M84 HydrophobicContact CD1-SD 4.46Å; V75-M84 HydrophobicContact CB-CB 4.4Å; V75-M84 HydrophobicContact CB-CG 3.8Å; V75-M84 HydrophobicContact CB-SD 4.23Å; V75-M84 HydrophobicContact CG1-CB 4.47Å; V75-M84 HydrophobicContact CG1-CG 3.7Å; V75-M84 HydrophobicContact CG2-CG 4.38Å; V75-M84 HydrophobicContact CG2-SD 4.22Å; C78-M84 HydrophobicContact CB-CB 4.24Å; T80-M84 PolarHBondContact O-N 3.06Å; F81-M84 HydrophobicContact CD2-CE 3.63Å; F81-M84 HydrophobicContact CE2-CE 4.08Å; F81-M84 PolarHBondContact O-N 2.93Å; K82-M84 VanDerWaalsContact C-N 3.28Å; K82-M84 PolarHBondContact O-N 2.98Å; M84-T87 PolarHBondContact O-N 3.26Å; M84-I88 HydrophobicContact CG-CD1 3.94Å; M84-I88 WeakPolarHBondContact O-CG1 3.16Å; M84-I88 PolarHBondContact O-N 2.8Å
85M90.5Very high84Confident1 Ų153.7 Ų53.71%0.00526%0.263CS..Hα-helixtrans-63.6-43.9178.7-77.6-59.4-66.800111.9W18 V35 V63 F81 K82 T87 I88 I89W18-M85 HydrophobicContact CH2-SD 4.32Å; V35-M85 HydrophobicContact CG1-CE 4.39Å; V63-M85 HydrophobicContact CG1-SD 4.19Å; V63-M85 HydrophobicContact CG2-SD 4.05Å; F81-M85 HydrophobicContact CD1-CG 4.41Å; F81-M85 HydrophobicContact CD2-CG 4.24Å; F81-M85 HydrophobicContact CE1-CG 3.79Å; F81-M85 HydrophobicContact CE2-CG 3.58Å; F81-M85 HydrophobicContact CE2-SD 4.13Å; F81-M85 HydrophobicContact CZ-CG 3.3Å; F81-M85 HydrophobicContact CZ-SD 4.03Å; F81-M85 PolarHBondContact O-N 3.3Å; K82-M85 PolarHBondContact O-N 3.42Å; M85-T87 VanDerWaalsContact C-N 3.27Å; M85-T87 PolarHBondContact O-N 3.23Å; M85-I88 PolarHBondContact O-N 3.33Å; M85-I88 VanDerWaalsContact O-N 3.16Å; M85-I88 HydrophobicContact SD-CD1 4.43Å; M85-I89 WeakPolarHBondContact O-CB 3.43Å; M85-I89 VanDerWaalsContact O-CG1 3.25Å; M85-I89 WeakPolarHBondContact O-CG1 3.22Å; M85-I89 PolarHBondContact O-N 3.15Å
86D88.3Confident82.6Confident68 Ų6856.6 Ų56.636%0.36428%0.28SS..Hα-helixtrans-62-36.8177.3-70.4-15.4000111.3K82 K90K82-D86 WeakPolarHBondContact CE-OD1 3.45Å; K82-D86 VanDerWaalsContact CE-OD2 3.25Å; K82-D86 WeakPolarHBondContact CE-OD2 3.24Å; K82-D86 IonicContact NZ-OD1 2.94Å; K82-D86 PolarHBondContact NZ-OD1 3.44Å; K82-D86 IonicContact NZ-OD2 2.75Å; K82-D86 WeakPolarHBondContact O-CB 3.42Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 3.11Å; D86-K90 WeakPolarHBondContact O-CB 3.46Å; D86-K90 PolarHBondContact O-N 3Å
87T88.1Confident81.2Confident36 Ų3653.4 Ų53.422%0.22128%0.282CS..Hα-helixtrans-65-44.4174.2-61.30000111.6F74 V75 C78 E83 M84 M85 K90 I91F74-T87 HydrophobicContact CB-CG2 3.89Å; V75-T87 HydrophobicContact CG1-CG2 4.33Å; C78-T87 PolarHBondContact SG-OG1 2.99Å; C78-T87 VanDerWaalsContact SG-OG1 3.38Å; E83-T87 WeakPolarHBondContact O-CB 3.19Å; E83-T87 PolarHBondContact O-N 3.1Å; E83-T87 PolarHBondContact O-OG1 3.19Å; M84-T87 PolarHBondContact O-N 3.26Å; M85-T87 VanDerWaalsContact C-N 3.27Å; M85-T87 PolarHBondContact O-N 3.23Å; T87-K90 PolarHBondContact O-N 2.69Å; T87-I91 HydrophobicContact CG2-CD1 4Å; T87-I91 WeakPolarHBondContact O-CD1 3.42Å; T87-I91 VanDerWaalsContact O-CG1 3.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.43Å; T87-I91 PolarHBondContact O-N 2.89Å
88I88.7Confident79.8Confident0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-65.3-45.9177.9-65.5161.7000110.7L10 Y15 W18 V63 L67 V75 M84 M85 K90 I91 R92L10-I88 HydrophobicContact CD2-CG2 4.02Å; Y15-I88 HydrophobicContact CE2-CG2 3.89Å; W18-I88 HydrophobicContact CH2-CD1 3.99Å; W18-I88 HydrophobicContact CH2-CG2 4.17Å; W18-I88 HydrophobicContact CZ3-CG2 3.93Å; V63-I88 HydrophobicContact CG1-CD1 3.84Å; L67-I88 HydrophobicContact CD1-CD1 4.04Å; L67-I88 HydrophobicContact CD2-CD1 3.76Å; L67-I88 HydrophobicContact CD2-CG1 4.47Å; V75-I88 HydrophobicContact CG1-CD1 4.21Å; V75-I88 HydrophobicContact CG1-CG1 3.88Å; M84-I88 HydrophobicContact CG-CD1 3.94Å; M84-I88 WeakPolarHBondContact O-CG1 3.16Å; M84-I88 PolarHBondContact O-N 2.8Å; M85-I88 PolarHBondContact O-N 3.33Å; M85-I88 VanDerWaalsContact O-N 3.16Å; M85-I88 HydrophobicContact SD-CD1 4.43Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-I91 PolarHBondContact O-N 3.01Å; I88-I91 VanDerWaalsContact O-N 3.13Å; I88-R92 WeakPolarHBondContact O-CB 3.5Å; I88-R92 PolarHBondContact O-N 3.03Å
89I84.8Confident78.6Confident42 Ų4251.4 Ų51.422%0.21527%0.273CS..Hα-helixtrans-58.6-46.5175-70165.1000109.6Y15 M85 I91 R92 E93Y15-I89 WeakPolarHBondContact OH-CG1 3.26Å; M85-I89 WeakPolarHBondContact O-CB 3.43Å; M85-I89 VanDerWaalsContact O-CG1 3.25Å; M85-I89 WeakPolarHBondContact O-CG1 3.22Å; M85-I89 PolarHBondContact O-N 3.15Å; I89-I91 PolarHBondContact O-N 2.91Å; I89-R92 PolarHBondContact O-N 3.44Å; I89-E93 HydrophobicContact CG2-CB 4.11Å; I89-E93 HydrophobicContact CG2-CG 4.22Å; I89-E93 WeakPolarHBondContact CG2-OE2 3.33Å; I89-E93 WeakPolarHBondContact O-CA 3.43Å; I89-E93 WeakPolarHBondContact O-CB 3.46Å; I89-E93 PolarHBondContact O-N 3.48Å
90K83.6Confident77.8Confident120 Ų12045.4 Ų45.452%0.52225%0.247SC..Hα-helixtrans-59.4-33.2176.4-175.7-174.6172.2-161.40112.5D86 T87 I88 Q94 D277D86-K90 WeakPolarHBondContact O-CB 3.46Å; D86-K90 PolarHBondContact O-N 3Å; T87-K90 PolarHBondContact O-N 2.69Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 3.08Å; K90-Q94 WeakPolarHBondContact O-CG 3.4Å; K90-Q94 PolarHBondContact O-NE2 3.28Å; K90-D277 IonicContact NZ-OD1 2.92Å; K90-D277 PolarHBondContact NZ-OD1 3.42Å
91I80.6Confident77.1Confident6 Ų649.5 Ų49.53%0.03126%0.261CS..Hα-helixtrans-77.5-41.4178-68162.1000111.1F70 F74 T87 I88 I89F70-I91 HydrophobicContact CE1-CG2 3.98Å; F74-I91 HydrophobicContact CB-CD1 3.6Å; F74-I91 HydrophobicContact CD1-CD1 4.04Å; F74-I91 HydrophobicContact CD2-CD1 3.62Å; F74-I91 HydrophobicContact CE2-CD1 4.34Å; F74-I91 HydrophobicContact CG-CD1 3.46Å; F74-I91 VanDerWaalsContact CG-CD1 3.46Å; T87-I91 HydrophobicContact CG2-CD1 4Å; T87-I91 WeakPolarHBondContact O-CD1 3.42Å; T87-I91 VanDerWaalsContact O-CG1 3.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.43Å; T87-I91 PolarHBondContact O-N 2.89Å; I88-I91 PolarHBondContact O-N 3.01Å; I88-I91 VanDerWaalsContact O-N 3.13Å; I89-I91 PolarHBondContact O-N 2.91Å
92R78.8Confident76.1Confident24 Ų2451 Ų519%0.09127%0.271CS..Hα-helixtrans-98-34.9-167.5-70.3-69.8176-173.2-9.6115N11 G12 Y15 H71 I88 I89 Q94 Y290N11-R92 PolarHBondContact O-NH2 3.29Å; G12-R92 PolarHBondContact O-NH1 2.93Å; Y15-R92 HydrophobicContact CD1-CB 3.72Å; Y15-R92 HydrophobicContact CD1-CG 4.5Å; Y15-R92 HydrophobicContact CD2-CB 3.5Å; Y15-R92 VanDerWaalsContact CD2-CB 3.5Å; Y15-R92 HydrophobicContact CD2-CG 3.51Å; Y15-R92 HydrophobicContact CE1-CB 3.8Å; Y15-R92 HydrophobicContact CE2-CB 3.57Å; Y15-R92 HydrophobicContact CE2-CG 3.88Å; Y15-R92 HydrophobicContact CG-CB 3.56Å; Y15-R92 HydrophobicContact CG-CG 3.84Å; H71-R92 PolarHBondContact CE1-NE 3.31Å; H71-R92 PolarHBondContact CE1-NH2 2.93Å; H71-R92 PolarHBondContact NE2-NE 3.24Å; H71-R92 PolarHBondContact NE2-NH2 3.41Å; I88-R92 WeakPolarHBondContact O-CB 3.5Å; I88-R92 PolarHBondContact O-N 3.03Å; I89-R92 PolarHBondContact O-N 3.44Å; R92-Q94 VanDerWaalsContact C-N 3.27Å; R92-Q94 PolarHBondContact O-N 3.48Å; R92-Y290 PolarHBondContact NH1-OH 3.45Å
93E73.9Confident75.5Confident52 Ų5248.2 Ų48.224%0.24326%0.259CS..  trans-94.525.3177.2-58-169.4168.600111.9Y15 K19 I89 T95Y15-E93 HydrophobicContact CD1-CG 4.49Å; Y15-E93 HydrophobicContact CE1-CG 3.44Å; Y15-E93 VanDerWaalsContact CE1-CG 3.44Å; Y15-E93 WeakPolarHBondContact CE1-OE1 3.34Å; Y15-E93 PolarHBondContact OH-OE1 3.45Å; K19-E93 IonicContact NZ-OE1 2.86Å; K19-E93 PolarHBondContact NZ-OE1 2.76Å; K19-E93 IonicContact NZ-OE2 2.84Å; I89-E93 HydrophobicContact CG2-CB 4.11Å; I89-E93 HydrophobicContact CG2-CG 4.22Å; I89-E93 WeakPolarHBondContact CG2-OE2 3.33Å; I89-E93 WeakPolarHBondContact O-CA 3.43Å; I89-E93 WeakPolarHBondContact O-CB 3.46Å; I89-E93 PolarHBondContact O-N 3.48Å; E93-T95 PolarHBondContact O-N 3.39Å
94Q66.3Low75Confident35 Ų3548.4 Ų48.416%0.16426%0.257CS..  trans-56.6108.3170.6-71.1-167.4-0.300109.6K90 R92 T96 N99 P278K90-Q94 WeakPolarHBondContact O-CG 3.4Å; K90-Q94 PolarHBondContact O-NE2 3.28Å; R92-Q94 VanDerWaalsContact C-N 3.27Å; R92-Q94 PolarHBondContact O-N 3.48Å; Q94-T96 HydrophobicContact CB-CG2 4.2Å; Q94-T96 PolarHBondContact O-N 2.89Å; Q94-N99 WeakPolarHBondContact O-CB 3.21Å; Q94-N99 PolarHBondContact O-ND2 2.92Å; Q94-P278 PolarHBondContact NE2-O 2.69Å; Q94-P278 PolarHBondContact OE1-O 2.62Å
95T57.6Low74.2Confident69 Ų6950.9 Ų50.942%0.42327%0.274SS..  trans-80.233.8176.951.30000111.8E93 K100E93-T95 PolarHBondContact O-N 3.39Å; T95-K100 WeakPolarHBondContact O-CE 3.48Å
96T59.4Low73.7Confident66 Ų6654.7 Ų54.741%0.40529%0.292SS..  trans-65.8148.9176.960.50000109.8Q94 G98 N99 K100Q94-T96 HydrophobicContact CB-CG2 4.2Å; Q94-T96 PolarHBondContact O-N 2.89Å; T96-G98 PolarHBondContact O-N 3.01Å; T96-G98 VanDerWaalsContact O-N 3.11Å; T96-N99 PolarHBondContact O-N 3.22Å; T96-K100 PolarHBondContact O-N 2.96Å; T96-K100 VanDerWaalsContact O-N 3.09Å
97V56Low73.5Confident120 Ų12051.7 Ų51.773%0.72728%0.276SS*.Hα-helixtrans-53.4-34.5175.7179.80000111N99 K100 F101V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.18Å; V97-K100 PolarHBondContact O-N 3.47Å; V97-F101 WeakPolarHBondContact O-CB 3.45Å; V97-F101 PolarHBondContact O-N 3.37Å
98G57.4Low73.1Confident46 Ų4656.1 Ų56.147%0.47429%0.294SS..Hα-helixtrans-63.4-29.6176.200000114.9T96 P102 R282T96-G98 PolarHBondContact O-N 3.01Å; T96-G98 VanDerWaalsContact O-N 3.11Å; G98-P102 WeakPolarHBondContact O-CD 3.34Å; G98-R282 PolarHBondContact O-NH2 3.16Å
99N64.9Low72.6Confident27 Ų2759.5 Ų59.514%0.14432%0.322CS..Hα-helixtrans-85.9-31.4174.6-73.3-7.9000112.4Q94 T96 V97 P102 L131Q94-N99 WeakPolarHBondContact O-CB 3.21Å; Q94-N99 PolarHBondContact O-ND2 2.92Å; T96-N99 PolarHBondContact O-N 3.22Å; V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.18Å; N99-P102 WeakPolarHBondContact O-CD 3.32Å; N99-P102 WeakPolarHBondContact O-CG 3.39Å; N99-L131 HydrophobicContact CB-CD2 4.46Å; N99-L131 WeakPolarHBondContact O-CD1 3.49Å
100K69.7Low72.2Confident52 Ų5258.8 Ų58.823%0.22632%0.316CS..Hα-helixtrans-69.5-45.7175.4-64.9-167-175.5-157.50112.6T95 T96 V97 V103 Y104 L131 N132 I133T95-K100 WeakPolarHBondContact O-CE 3.48Å; T96-K100 PolarHBondContact O-N 2.96Å; T96-K100 VanDerWaalsContact O-N 3.09Å; V97-K100 PolarHBondContact O-N 3.47Å; K100-V103 PolarHBondContact O-N 3.37Å; K100-V103 VanDerWaalsContact O-N 3.15Å; K100-Y104 HydrophobicContact CB-CD2 4.26Å; K100-Y104 HydrophobicContact CB-CE2 4.11Å; K100-Y104 VanDerWaalsContact O-CD2 3.26Å; K100-Y104 WeakPolarHBondContact O-CD2 3.36Å; K100-Y104 PolarHBondContact O-N 2.88Å; K100-L131 WeakPolarHBondContact CE-O 2.81Å; K100-L131 HydrophobicContact CG-CB 4.41Å; K100-L131 PolarHBondContact NZ-O 3.41Å; K100-N132 PolarHBondContact NZ-O 3.46Å; K100-I133 HydrophobicContact CB-CD1 3.96Å; K100-I133 HydrophobicContact CD-CD1 4.3Å; K100-I133 HydrophobicContact CD-CG1 4Å; K100-I133 HydrophobicContact CG-CD1 4.04Å; K100-I133 HydrophobicContact CG-CG1 4.26Å
101F71.4Confident71.6Confident129 Ų12957.9 Ų57.957%0.56632%0.321SS*.Hα-helixtrans-52.6-47.2-176.1-168.5-96.3000115.6V97 V103 Y104 S105V97-F101 WeakPolarHBondContact O-CB 3.45Å; V97-F101 PolarHBondContact O-N 3.37Å; F101-V103 VanDerWaalsContact C-N 3.31Å; F101-V103 PolarHBondContact O-N 2.78Å; F101-Y104 WeakPolarHBondContact O-CB 3.08Å; F101-Y104 PolarHBondContact O-N 2.77Å; F101-S105 PolarHBondContact O-N 3.37Å; F101-S105 PolarHBondContact O-OG 2.85Å
102P68.5Low71Confident32 Ų3263.3 Ų63.321%0.20835%0.345CS..Hα-helixtrans-63.8-36.8178.416.7-23.8000112.7G98 N99 Y104 S105 E106G98-P102 WeakPolarHBondContact O-CD 3.34Å; N99-P102 WeakPolarHBondContact O-CD 3.32Å; N99-P102 WeakPolarHBondContact O-CG 3.39Å; P102-Y104 VanDerWaalsContact C-N 3.34Å; P102-S105 WeakPolarHBondContact O-CB 3.29Å; P102-S105 PolarHBondContact O-N 2.83Å; P102-E106 WeakPolarHBondContact O-CB 3.34Å; P102-E106 PolarHBondContact O-N 2.79Å
103V77.2Confident69.9Low4 Ų467.7 Ų67.72%0.02437%0.37CS..Hα-helixtrans-69.5-37.9179-170.80000110.2K100 F101 E106 F107 I124 K127 M128 L131K100-V103 PolarHBondContact O-N 3.37Å; K100-V103 VanDerWaalsContact O-N 3.15Å; F101-V103 VanDerWaalsContact C-N 3.31Å; F101-V103 PolarHBondContact O-N 2.78Å; V103-E106 PolarHBondContact O-N 3.29Å; V103-F107 WeakPolarHBondContact O-CB 3.26Å; V103-F107 PolarHBondContact O-N 3.48Å; V103-I124 HydrophobicContact CG1-CG2 4.24Å; V103-K127 HydrophobicContact CG1-CB 4.27Å; V103-K127 HydrophobicContact CG1-CD 4.18Å; V103-K127 HydrophobicContact CG1-CG 4.09Å; V103-K127 HydrophobicContact CG2-CD 4Å; V103-K127 HydrophobicContact CG2-CG 4.05Å; V103-M128 HydrophobicContact CB-CG 4.43Å; V103-M128 HydrophobicContact CG1-CB 4.42Å; V103-M128 HydrophobicContact CG1-CE 4.31Å; V103-M128 HydrophobicContact CG1-CG 3.37Å; V103-M128 WeakPolarHBondContact O-CE 3.43Å; V103-L131 HydrophobicContact CB-CD1 4.18Å; V103-L131 HydrophobicContact CG2-CD1 3.52Å
104Y78Confident69.2Low88 Ų8867.9 Ų67.935%0.34538%0.375SS..Hα-helixtrans-57.8-48.7167.4-79-68.2000111.9K100 F101 P102 E106 F107 H108 M128 I133K100-Y104 HydrophobicContact CB-CD2 4.26Å; K100-Y104 HydrophobicContact CB-CE2 4.11Å; K100-Y104 VanDerWaalsContact O-CD2 3.26Å; K100-Y104 WeakPolarHBondContact O-CD2 3.36Å; K100-Y104 PolarHBondContact O-N 2.88Å; F101-Y104 WeakPolarHBondContact O-CB 3.08Å; F101-Y104 PolarHBondContact O-N 2.77Å; P102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-E106 VanDerWaalsContact C-N 3.32Å; Y104-E106 PolarHBondContact O-N 2.92Å; Y104-F107 PolarHBondContact O-N 2.94Å; Y104-H108 WeakPolarHBondContact O-CB 3.41Å; Y104-H108 PolarHBondContact O-CD2 3.32Å; Y104-H108 PolarHBondContact O-N 2.98Å; Y104-M128 HydrophobicContact CD1-CE 3.72Å; Y104-M128 HydrophobicContact CE1-CE 4.22Å; Y104-M128 HydrophobicContact CG-CE 4.22Å; Y104-I133 HydrophobicContact CD2-CD1 4.08Å; Y104-I133 HydrophobicContact CE1-CG2 3.82Å; Y104-I133 HydrophobicContact CE2-CD1 3.62Å; Y104-I133 HydrophobicContact CE2-CG1 4.06Å; Y104-I133 HydrophobicContact CE2-CG2 4.44Å; Y104-I133 VanDerWaalsContact OH-CG2 3.29Å; Y104-I133 WeakPolarHBondContact OH-CG2 2.94Å
105S75Confident68.7Low52 Ų5269.6 Ų69.636%0.36440%0.395SS..Hα-helixtrans-60-42.3177.5-59.60000112F101 P102 H108 A109F101-S105 PolarHBondContact O-N 3.37Å; F101-S105 PolarHBondContact O-OG 2.85Å; P102-S105 WeakPolarHBondContact O-CB 3.29Å; P102-S105 PolarHBondContact O-N 2.83Å; S105-H108 PolarHBondContact O-N 3.46Å; S105-A109 WeakPolarHBondContact O-CB 3.34Å; S105-A109 PolarHBondContact O-N 2.74Å
106E80.7Confident69.1Low80 Ų8068.6 Ų68.637%0.37439%0.391SS..Hα-helixtrans-60.9-49.6176.6-167.6178.7176.200110.3P102 V103 Y104 H108 A109 Y110 I124 K127P102-E106 WeakPolarHBondContact O-CB 3.34Å; P102-E106 PolarHBondContact O-N 2.79Å; V103-E106 PolarHBondContact O-N 3.29Å; Y104-E106 VanDerWaalsContact C-N 3.32Å; Y104-E106 PolarHBondContact O-N 2.92Å; E106-H108 PolarHBondContact O-N 2.77Å; E106-A109 PolarHBondContact O-N 2.85Å; E106-Y110 WeakPolarHBondContact O-CA 2.99Å; E106-Y110 VanDerWaalsContact O-CB 3.23Å; E106-Y110 WeakPolarHBondContact O-CB 3.37Å; E106-Y110 PolarHBondContact O-N 3.46Å; E106-I124 HydrophobicContact CG-CD1 3.85Å; E106-I124 HydrophobicContact CG-CG1 4.02Å; E106-K127 IonicContact OE2-NZ 3.53Å; E106-K127 PolarHBondContact OE2-NZ 3.18Å
107F84Confident69.7Low5 Ų565.7 Ų65.72%0.02237%0.372CS..Hα-helixtrans-59-46.6175.7-179.7-97.9000112.5V103 Y104 Y110 L121 I124 V125 M128 L135 T139 K143V103-F107 WeakPolarHBondContact O-CB 3.26Å; V103-F107 PolarHBondContact O-N 3.48Å; Y104-F107 PolarHBondContact O-N 2.94Å; F107-Y110 PolarHBondContact O-N 2.99Å; F107-L121 HydrophobicContact CD2-CD1 3.91Å; F107-L121 HydrophobicContact CE2-CD1 3.71Å; F107-I124 HydrophobicContact CB-CG2 3.73Å; F107-I124 HydrophobicContact CD2-CG2 4.07Å; F107-I124 HydrophobicContact CG-CG2 4.42Å; F107-V125 HydrophobicContact CE2-CG2 4.17Å; F107-M128 HydrophobicContact CB-CE 3.22Å; F107-M128 HydrophobicContact CB-SD 3.93Å; F107-M128 HydrophobicContact CD1-CE 4.07Å; F107-M128 HydrophobicContact CD2-CE 4.15Å; F107-M128 HydrophobicContact CD2-SD 3.79Å; F107-M128 HydrophobicContact CE2-SD 4.45Å; F107-M128 HydrophobicContact CG-CE 3.57Å; F107-M128 HydrophobicContact CG-SD 3.86Å; F107-L135 HydrophobicContact CD2-CD1 4.1Å; F107-L135 HydrophobicContact CE1-CD1 4.06Å; F107-L135 HydrophobicContact CE2-CD1 3.57Å; F107-L135 HydrophobicContact CZ-CD1 3.56Å; F107-T139 HydrophobicContact CE1-CG2 4.25Å; F107-T139 HydrophobicContact CZ-CG2 4.19Å; F107-K143 HydrophobicContact CE1-CB 4.26Å; F107-K143 HydrophobicContact CE1-CD 4.35Å; F107-K143 HydrophobicContact CE1-CG 4.18Å; F107-K143 HydrophobicContact CE2-CB 4.23Å; F107-K143 HydrophobicContact CE2-CG 3.99Å; F107-K143 HydrophobicContact CZ-CB 3.67Å; F107-K143 HydrophobicContact CZ-CD 4.42Å; F107-K143 HydrophobicContact CZ-CG 3.75Å; F107-K143 WeakPolarHBondContact O-CE 3.17Å; F107-K143 PolarHBondContact O-NZ 3.39Å
108H79.2Confident70.6Confident129 Ų12964.2 Ų64.260%0.59736%0.359SS*.Hα-helixtrans-68.7-36.1179.7-72-61.9000112.5Y104 S105 E106 K143Y104-H108 WeakPolarHBondContact O-CB 3.41Å; Y104-H108 PolarHBondContact O-CD2 3.32Å; Y104-H108 PolarHBondContact O-N 2.98Å; S105-H108 PolarHBondContact O-N 3.46Å; E106-H108 PolarHBondContact O-N 2.77Å; H108-K143 PolarHBondContact O-NZ 2.72Å
109A77.4Confident71.5Confident72 Ų7265.2 Ų65.260%0.59536%0.363SS*.Hα-helixtrans-81.7-16.4178.100000114S105 E106 T111S105-A109 WeakPolarHBondContact O-CB 3.34Å; S105-A109 PolarHBondContact O-N 2.74Å; E106-A109 PolarHBondContact O-N 2.85Å; A109-T111 PolarHBondContact O-N 3.32Å; A109-T111 VanDerWaalsContact O-N 3.11Å
110Y77.6Confident72.1Confident26 Ų2664.7 Ų64.710%0.10237%0.365CS..  trans-63.6115.3-171.5-167.7-107.5000112.6E106 F107 K112 S116 F117 G120 L121 I124 K143 S147E106-Y110 WeakPolarHBondContact O-CA 2.99Å; E106-Y110 VanDerWaalsContact O-CB 3.23Å; E106-Y110 WeakPolarHBondContact O-CB 3.37Å; E106-Y110 PolarHBondContact O-N 3.46Å; F107-Y110 PolarHBondContact O-N 2.99Å; Y110-K112 HydrophobicContact CE2-CD 4.18Å; Y110-K112 HydrophobicContact CE2-CG 4.22Å; Y110-S116 PolarHBondContact OH-O 3.18Å; Y110-S116 VanDerWaalsContact OH-O 3.1Å; Y110-F117 AromaticContact CD1-CD2 3.62Å; Y110-F117 HydrophobicContact CD1-CD2 3.62Å; Y110-F117 AromaticContact CD1-CE2 3.28Å; Y110-F117 HydrophobicContact CD1-CE2 3.28Å; Y110-F117 HydrophobicContact CD1-CZ 4.06Å; Y110-F117 HydrophobicContact CE1-CB 4.48Å; Y110-F117 AromaticContact CE1-CD2 3.34Å; Y110-F117 HydrophobicContact CE1-CD2 3.34Å; Y110-F117 AromaticContact CE1-CE2 3.51Å; Y110-F117 HydrophobicContact CE1-CE2 3.51Å; Y110-F117 HydrophobicContact CE1-CG 4.02Å; Y110-F117 HydrophobicContact CE1-CZ 4.31Å; Y110-F117 WeakPolarHBondContact CE1-O 3.48Å; Y110-F117 HydrophobicContact CG-CE2 4.44Å; Y110-G120 WeakPolarHBondContact OH-CA 3.18Å; Y110-L121 HydrophobicContact CD1-CB 4.23Å; Y110-L121 HydrophobicContact CD1-CD1 4.3Å; Y110-L121 HydrophobicContact CE1-CB 4.06Å; Y110-I124 HydrophobicContact CD1-CD1 4.06Å; Y110-I124 HydrophobicContact CD2-CD1 3.29Å; Y110-I124 HydrophobicContact CE2-CD1 3.9Å; Y110-I124 HydrophobicContact CG-CD1 3.4Å; Y110-K143 WeakPolarHBondContact O-CE 3.24Å; Y110-K143 PolarHBondContact O-NZ 3.01Å; Y110-K143 VanDerWaalsContact O-NZ 3.07Å; Y110-S147 PolarHBondContact O-OG 2.82Å
111T69.3Low72.8Confident102 Ų10262.4 Ų62.463%0.62636%0.355SS*.  trans-141.6122.8177.253.20000108.6A109A109-T111 PolarHBondContact O-N 3.32Å; A109-T111 VanDerWaalsContact O-N 3.11Å
112K68.1Low73.3Confident119 Ų11959.9 Ų59.952%0.51735%0.347SS..  trans-153.1167.9177.5-74.1-158.6-176.51790109.9Y110 F117Y110-K112 HydrophobicContact CE2-CD 4.18Å; Y110-K112 HydrophobicContact CE2-CG 4.22Å; K112-F117 HydrophobicContact CB-CB 4.13Å; K112-F117 HydrophobicContact CB-CD2 4.35Å
113N55.9Low73.9Confident116 Ų11661.1 Ų61.162%0.6236%0.36SS*.  trans-63.2149.5173.665.143.6000111.7A115 S116 F117N113-A115 VanDerWaalsContact C-N 3.32Å; N113-A115 PolarHBondContact O-N 3.31Å; N113-S116 PolarHBondContact O-N 3.09Å; N113-S116 VanDerWaalsContact O-N 3.13Å; N113-S116 PolarHBondContact O-OG 2.75Å; N113-S116 WeakPolarHBondContact OD1-CB 3.49Å; N113-S116 PolarHBondContact OD1-N 3.28Å; N113-S116 PolarHBondContact OD1-OG 2.84Å; N113-F117 WeakPolarHBondContact O-CB 3.38Å; N113-F117 PolarHBondContact O-N 3.1Å
114V60.7Low74.2Confident57 Ų5761.1 Ų61.135%0.34536%0.36SS..Hα-helixtrans-48.2-44.1-164.7-172.10000114.8F117 I118 L148 F152V114-F117 PolarHBondContact O-N 3.27Å; V114-I118 PolarHBondContact O-N 3.29Å; V114-L148 HydrophobicContact CB-CD2 4.45Å; V114-L148 HydrophobicContact CG1-CD2 4.02Å; V114-L148 HydrophobicContact CG2-CD2 3.65Å; V114-F152 HydrophobicContact CG2-CE2 4.22Å
115A55.2Low74.6Confident71 Ų7157.3 Ų57.359%0.58735%0.346SS*.Hα-helixtrans-74.2-41.2-176.300000113.5N113 F117N113-A115 VanDerWaalsContact C-N 3.32Å; N113-A115 PolarHBondContact O-N 3.31Å; A115-F117 VanDerWaalsContact C-N 3.29Å
116S66.2Low74.8Confident48 Ų4859.3 Ų59.334%0.33635%0.352SS..Hα-helixtrans-77.3-21.6174.265.80000112.4Y110 N113 G120Y110-S116 PolarHBondContact OH-O 3.18Å; Y110-S116 VanDerWaalsContact OH-O 3.1Å; N113-S116 PolarHBondContact O-N 3.09Å; N113-S116 VanDerWaalsContact O-N 3.13Å; N113-S116 PolarHBondContact O-OG 2.75Å; N113-S116 WeakPolarHBondContact OD1-CB 3.49Å; N113-S116 PolarHBondContact OD1-N 3.28Å; N113-S116 PolarHBondContact OD1-OG 2.84Å; S116-G120 PolarHBondContact O-N 3.47Å
117F71.7Confident74.7Confident4 Ų459.1 Ų59.12%0.01835%0.35CS..Hα-helixtrans-68.5-50-179.7178.4-88.2000112.1Y110 K112 N113 V114 A115 A119 G120 L121 A144 S147Y110-F117 AromaticContact CD1-CD2 3.62Å; Y110-F117 HydrophobicContact CD1-CD2 3.62Å; Y110-F117 AromaticContact CD1-CE2 3.28Å; Y110-F117 HydrophobicContact CD1-CE2 3.28Å; Y110-F117 HydrophobicContact CD1-CZ 4.06Å; Y110-F117 HydrophobicContact CE1-CB 4.48Å; Y110-F117 AromaticContact CE1-CD2 3.34Å; Y110-F117 HydrophobicContact CE1-CD2 3.34Å; Y110-F117 AromaticContact CE1-CE2 3.51Å; Y110-F117 HydrophobicContact CE1-CE2 3.51Å; Y110-F117 HydrophobicContact CE1-CG 4.02Å; Y110-F117 HydrophobicContact CE1-CZ 4.31Å; Y110-F117 WeakPolarHBondContact CE1-O 3.48Å; Y110-F117 HydrophobicContact CG-CE2 4.44Å; K112-F117 HydrophobicContact CB-CB 4.13Å; K112-F117 HydrophobicContact CB-CD2 4.35Å; N113-F117 WeakPolarHBondContact O-CB 3.38Å; N113-F117 PolarHBondContact O-N 3.1Å; V114-F117 PolarHBondContact O-N 3.27Å; A115-F117 VanDerWaalsContact C-N 3.29Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 2.85Å; F117-G120 PolarHBondContact O-N 2.7Å; F117-L121 HydrophobicContact CD1-CB 4.47Å; F117-L121 HydrophobicContact CE1-CB 3.97Å; F117-L121 HydrophobicContact CE1-CD2 3.57Å; F117-L121 HydrophobicContact CE1-CG 4.27Å; F117-L121 HydrophobicContact CZ-CB 4.09Å; F117-L121 HydrophobicContact CZ-CD1 4.19Å; F117-L121 HydrophobicContact CZ-CD2 3.78Å; F117-L121 HydrophobicContact CZ-CG 4.23Å; F117-L121 VanDerWaalsContact O-CB 3.24Å; F117-L121 WeakPolarHBondContact O-CB 3.04Å; F117-L121 PolarHBondContact O-N 2.83Å; F117-A144 VanDerWaalsContact CE1-CA 3.45Å; F117-A144 HydrophobicContact CE1-CB 3.82Å; F117-S147 WeakPolarHBondContact CE2-OG 3.34Å; F117-S147 WeakPolarHBondContact CZ-OG 3.4Å
118I75Confident74.7Confident89 Ų8959 Ų5946%0.45635%0.35SS..Hα-helixtrans-60.7-45.5-178-64.5172.2000110.8V114 G120 L121 N122V114-I118 PolarHBondContact O-N 3.29Å; I118-G120 PolarHBondContact O-N 3.27Å; I118-L121 PolarHBondContact O-N 2.78Å; I118-N122 WeakPolarHBondContact O-CB 3.42Å; I118-N122 VanDerWaalsContact O-CG 3.29Å; I118-N122 PolarHBondContact O-N 2.78Å
119A74.8Confident74.8Confident67 Ų6758.3 Ų58.355%0.55435%0.347SS*.Hα-helixtrans-61.8-44.9-179.900000112.3F117 A123F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 2.85Å; A119-A123 PolarHBondContact O-N 2.95Å
120G79Confident74.5Confident17 Ų1756.6 Ų56.618%0.17533%0.331CS..Hα-helixtrans-78.9-28178.900000114Y110 S116 F117 I118 A123 I124Y110-G120 WeakPolarHBondContact OH-CA 3.18Å; S116-G120 PolarHBondContact O-N 3.47Å; F117-G120 PolarHBondContact O-N 2.7Å; I118-G120 PolarHBondContact O-N 3.27Å; G120-A123 WeakPolarHBondContact O-CB 3.47Å; G120-A123 PolarHBondContact O-N 3.43Å; G120-I124 WeakPolarHBondContact O-CG1 3.38Å; G120-I124 PolarHBondContact O-N 3.45Å
121L83.9Confident74.2Confident4 Ų456.1 Ų56.12%0.02133%0.33CS..Hα-helixtrans-63.7-46.9170-176.767.8000109.7F107 Y110 F117 I118 A123 I124 V125 I140 K143 A144F107-L121 HydrophobicContact CD2-CD1 3.91Å; F107-L121 HydrophobicContact CE2-CD1 3.71Å; Y110-L121 HydrophobicContact CD1-CB 4.23Å; Y110-L121 HydrophobicContact CD1-CD1 4.3Å; Y110-L121 HydrophobicContact CE1-CB 4.06Å; F117-L121 HydrophobicContact CD1-CB 4.47Å; F117-L121 HydrophobicContact CE1-CB 3.97Å; F117-L121 HydrophobicContact CE1-CD2 3.57Å; F117-L121 HydrophobicContact CE1-CG 4.27Å; F117-L121 HydrophobicContact CZ-CB 4.09Å; F117-L121 HydrophobicContact CZ-CD1 4.19Å; F117-L121 HydrophobicContact CZ-CD2 3.78Å; F117-L121 HydrophobicContact CZ-CG 4.23Å; F117-L121 VanDerWaalsContact O-CB 3.24Å; F117-L121 WeakPolarHBondContact O-CB 3.04Å; F117-L121 PolarHBondContact O-N 2.83Å; I118-L121 PolarHBondContact O-N 2.78Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.21Å; L121-I124 PolarHBondContact O-N 2.85Å; L121-I124 VanDerWaalsContact O-N 3.1Å; L121-V125 HydrophobicContact CG-CG2 4.34Å; L121-V125 WeakPolarHBondContact O-CG2 3.26Å; L121-V125 PolarHBondContact O-N 2.9Å; L121-I140 HydrophobicContact CD2-CG2 4.17Å; L121-K143 HydrophobicContact CD1-CG 3.83Å; L121-A144 HydrophobicContact CD2-CB 3.99Å
122N82.3Confident74.5Confident75 Ų7557.1 Ų57.140%0.40133%0.331SS..Hα-helixtrans-59.4-39.4174.4-75.2-11.6000111.6I118 I124 V125 N126I118-N122 WeakPolarHBondContact O-CB 3.42Å; I118-N122 VanDerWaalsContact O-CG 3.29Å; I118-N122 PolarHBondContact O-N 2.78Å; N122-I124 VanDerWaalsContact C-N 3.34Å; N122-I124 PolarHBondContact O-N 2.99Å; N122-V125 PolarHBondContact O-N 2.86Å; N122-N126 WeakPolarHBondContact O-CB 3.38Å; N122-N126 PolarHBondContact O-N 3.41Å; N122-N126 PolarHBondContact O-ND2 3.39Å; N122-N126 PolarHBondContact O-OD1 3.48Å
123A81.5Confident75Confident58 Ų5851.7 Ų51.748%0.47931%0.308SS..Hα-helixtrans-61.4-41174.700000112.5A119 G120 L121 K127A119-A123 PolarHBondContact O-N 2.95Å; G120-A123 WeakPolarHBondContact O-CB 3.47Å; G120-A123 PolarHBondContact O-N 3.43Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.21Å; A123-K127 WeakPolarHBondContact O-CB 3.37Å; A123-K127 PolarHBondContact O-N 2.97Å; A123-K127 VanDerWaalsContact O-N 3.1Å
124I83Confident76.1Confident4 Ų452.7 Ų52.72%0.02132%0.318CS..Hα-helixtrans-68.8-43.8176.1-64.9163.2000110.9V103 E106 F107 Y110 G120 L121 N122 N126 K127 M128V103-I124 HydrophobicContact CG1-CG2 4.24Å; E106-I124 HydrophobicContact CG-CD1 3.85Å; E106-I124 HydrophobicContact CG-CG1 4.02Å; F107-I124 HydrophobicContact CB-CG2 3.73Å; F107-I124 HydrophobicContact CD2-CG2 4.07Å; F107-I124 HydrophobicContact CG-CG2 4.42Å; Y110-I124 HydrophobicContact CD1-CD1 4.06Å; Y110-I124 HydrophobicContact CD2-CD1 3.29Å; Y110-I124 HydrophobicContact CE2-CD1 3.9Å; Y110-I124 HydrophobicContact CG-CD1 3.4Å; G120-I124 WeakPolarHBondContact O-CG1 3.38Å; G120-I124 PolarHBondContact O-N 3.45Å; L121-I124 PolarHBondContact O-N 2.85Å; L121-I124 VanDerWaalsContact O-N 3.1Å; N122-I124 VanDerWaalsContact C-N 3.34Å; N122-I124 PolarHBondContact O-N 2.99Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.44Å; I124-K127 CarbonylContact O-C 3.6Å; I124-K127 WeakPolarHBondContact O-CB 3.37Å; I124-K127 PolarHBondContact O-N 2.96Å; I124-K127 VanDerWaalsContact O-N 3.15Å; I124-M128 HydrophobicContact CG2-CG 4.5Å; I124-M128 HydrophobicContact CG2-SD 4.38Å; I124-M128 WeakPolarHBondContact O-CG 3.5Å; I124-M128 PolarHBondContact O-N 3.08Å
125V85.1Confident77Confident9 Ų951.6 Ų51.66%0.05531%0.31CS..Hα-helixtrans-61-42.9177.4170.90000110.7F107 L121 N122 K127 M128 Q129 I140F107-V125 HydrophobicContact CE2-CG2 4.17Å; L121-V125 HydrophobicContact CG-CG2 4.34Å; L121-V125 WeakPolarHBondContact O-CG2 3.26Å; L121-V125 PolarHBondContact O-N 2.9Å; N122-V125 PolarHBondContact O-N 2.86Å; V125-K127 VanDerWaalsContact C-N 3.3Å; V125-K127 PolarHBondContact O-N 2.76Å; V125-M128 WeakPolarHBondContact O-CA 3.38Å; V125-M128 WeakPolarHBondContact O-CB 3.15Å; V125-M128 PolarHBondContact O-N 3.17Å; V125-M128 VanDerWaalsContact O-N 3.09Å; V125-Q129 WeakPolarHBondContact O-CG 3.27Å; V125-Q129 PolarHBondContact O-N 2.96Å; V125-I140 HydrophobicContact CG1-CD1 3.84Å; V125-I140 HydrophobicContact CG2-CD1 4.27Å; V125-I140 HydrophobicContact CG2-CG1 4.15Å; V125-I140 HydrophobicContact CG2-CG2 4.26Å
126N80.8Confident78.3Confident93 Ų9352.3 Ų52.350%0.49730%0.304SS..Hα-helixtrans-62-39.5175.1-69.3-9.5000111.6N122 I124 M128 Q129 S130N122-N126 WeakPolarHBondContact O-CB 3.38Å; N122-N126 PolarHBondContact O-N 3.41Å; N122-N126 PolarHBondContact O-ND2 3.39Å; N122-N126 PolarHBondContact O-OD1 3.48Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.44Å; N126-M128 VanDerWaalsContact C-N 3.31Å; N126-M128 PolarHBondContact O-N 3.45Å; N126-Q129 PolarHBondContact O-N 3.25Å; N126-S130 PolarHBondContact O-N 3.38Å
127K78Confident78.9Confident77 Ų7755.6 Ų55.634%0.33532%0.318SS..Hα-helixtrans-67.6-29.6174.4-169.7-178.2178.4-172.20112.5L16 V103 E106 A123 I124 V125 S130 L131L16-K127 HydrophobicContact CD1-CB 4.24Å; L16-K127 HydrophobicContact CD1-CG 4.29Å; V103-K127 HydrophobicContact CG1-CB 4.27Å; V103-K127 HydrophobicContact CG1-CD 4.18Å; V103-K127 HydrophobicContact CG1-CG 4.09Å; V103-K127 HydrophobicContact CG2-CD 4Å; V103-K127 HydrophobicContact CG2-CG 4.05Å; E106-K127 IonicContact OE2-NZ 3.53Å; E106-K127 PolarHBondContact OE2-NZ 3.18Å; A123-K127 WeakPolarHBondContact O-CB 3.37Å; A123-K127 PolarHBondContact O-N 2.97Å; A123-K127 VanDerWaalsContact O-N 3.1Å; I124-K127 CarbonylContact O-C 3.6Å; I124-K127 WeakPolarHBondContact O-CB 3.37Å; I124-K127 PolarHBondContact O-N 2.96Å; I124-K127 VanDerWaalsContact O-N 3.15Å; V125-K127 VanDerWaalsContact C-N 3.3Å; V125-K127 PolarHBondContact O-N 2.76Å; K127-S130 PolarHBondContact O-OG 3.48Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å
128M83.1Confident79.2Confident1 Ų157.2 Ų57.21%0.00533%0.332CS..Hα-helixtrans-70.6-47.1172.1-74.7-179.3144.200111.1V103 Y104 F107 I124 V125 N126 S130 L131 N132 I133 L135V103-M128 HydrophobicContact CB-CG 4.43Å; V103-M128 HydrophobicContact CG1-CB 4.42Å; V103-M128 HydrophobicContact CG1-CE 4.31Å; V103-M128 HydrophobicContact CG1-CG 3.37Å; V103-M128 WeakPolarHBondContact O-CE 3.43Å; Y104-M128 HydrophobicContact CD1-CE 3.72Å; Y104-M128 HydrophobicContact CE1-CE 4.22Å; Y104-M128 HydrophobicContact CG-CE 4.22Å; F107-M128 HydrophobicContact CB-CE 3.22Å; F107-M128 HydrophobicContact CB-SD 3.93Å; F107-M128 HydrophobicContact CD1-CE 4.07Å; F107-M128 HydrophobicContact CD2-CE 4.15Å; F107-M128 HydrophobicContact CD2-SD 3.79Å; F107-M128 HydrophobicContact CE2-SD 4.45Å; F107-M128 HydrophobicContact CG-CE 3.57Å; F107-M128 HydrophobicContact CG-SD 3.86Å; I124-M128 HydrophobicContact CG2-CG 4.5Å; I124-M128 HydrophobicContact CG2-SD 4.38Å; I124-M128 WeakPolarHBondContact O-CG 3.5Å; I124-M128 PolarHBondContact O-N 3.08Å; V125-M128 WeakPolarHBondContact O-CA 3.38Å; V125-M128 WeakPolarHBondContact O-CB 3.15Å; V125-M128 PolarHBondContact O-N 3.17Å; V125-M128 VanDerWaalsContact O-N 3.09Å; N126-M128 VanDerWaalsContact C-N 3.31Å; N126-M128 PolarHBondContact O-N 3.45Å; M128-S130 VanDerWaalsContact C-N 3.31Å; M128-S130 PolarHBondContact O-N 3.22Å; M128-L131 CarbonylContact O-C 3.45Å; M128-L131 WeakPolarHBondContact O-CA 3.17Å; M128-L131 PolarHBondContact O-N 3.25Å; M128-N132 PolarHBondContact O-N 3.3Å; M128-I133 CarbonylContact C-O 3.57Å; M128-I133 HydrophobicContact CB-CB 3.95Å; M128-I133 HydrophobicContact CB-CD1 4.44Å; M128-I133 HydrophobicContact CB-CG2 4.12Å; M128-I133 HydrophobicContact CG-CD1 4.32Å; M128-I133 HydrophobicContact CG-CG2 4.41Å; M128-I133 WeakPolarHBondContact O-CB 3.29Å; M128-I133 PolarHBondContact O-N 2.98Å; M128-L135 HydrophobicContact CE-CD1 4.47Å; M128-L135 HydrophobicContact SD-CD1 3.42Å; M128-L135 WeakPolarHBondContact SD-CD1 3.42Å; M128-L135 HydrophobicContact SD-CG 4.16Å
129Q81.1Confident79.5Confident115 Ų11555.7 Ų55.754%0.53733%0.327SS..Hα-helixtrans-58.7-41.8176.5-72.3175.3-16.500111.6V125 N126 L131 N132V125-Q129 WeakPolarHBondContact O-CG 3.27Å; V125-Q129 PolarHBondContact O-N 2.96Å; N126-Q129 PolarHBondContact O-N 3.25Å; Q129-L131 PolarHBondContact O-N 3.32Å; Q129-L131 VanDerWaalsContact O-N 3.13Å; Q129-N132 PolarHBondContact O-N 3.01Å
130S71.5Confident79.8Confident37 Ų3753.9 Ų53.926%0.25931%0.308SS..THydrogen-bonded Turntrans-64.7-16175.869.80000114.1N126 K127 M128N126-S130 PolarHBondContact O-N 3.38Å; K127-S130 PolarHBondContact O-OG 3.48Å; M128-S130 VanDerWaalsContact C-N 3.31Å; M128-S130 PolarHBondContact O-N 3.22Å
131L72.4Confident79.7Confident15 Ų1556.1 Ų56.18%0.07932%0.315CS..THydrogen-bonded Turntrans-101.214.9175-66.4175.1000112.8N99 K100 V103 K127 M128 Q129 I133N99-L131 HydrophobicContact CB-CD2 4.46Å; N99-L131 WeakPolarHBondContact O-CD1 3.49Å; K100-L131 WeakPolarHBondContact CE-O 2.81Å; K100-L131 HydrophobicContact CG-CB 4.41Å; K100-L131 PolarHBondContact NZ-O 3.41Å; V103-L131 HydrophobicContact CB-CD1 4.18Å; V103-L131 HydrophobicContact CG2-CD1 3.52Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å; M128-L131 CarbonylContact O-C 3.45Å; M128-L131 WeakPolarHBondContact O-CA 3.17Å; M128-L131 PolarHBondContact O-N 3.25Å; Q129-L131 PolarHBondContact O-N 3.32Å; Q129-L131 VanDerWaalsContact O-N 3.13Å; L131-I133 HydrophobicContact CB-CD1 4.15Å; L131-I133 HydrophobicContact CB-CG1 4.31Å; L131-I133 PolarHBondContact O-N 3.07Å
132N74.3Confident79.5Confident124 Ų12457 Ų5766%0.66332%0.324SS*.THydrogen-bonded Turntrans52.243.2-172.3-68.4-26.6000111.8K100 M128 Q129K100-N132 PolarHBondContact NZ-O 3.46Å; M128-N132 PolarHBondContact O-N 3.3Å; Q129-N132 PolarHBondContact O-N 3.01Å
133I79.3Confident79.3Confident4 Ų454.7 Ų54.72%0.02131%0.311CS..  trans-101.9110.2166.5-61165000106.5K100 Y104 M128 L131 L135K100-I133 HydrophobicContact CB-CD1 3.96Å; K100-I133 HydrophobicContact CD-CD1 4.3Å; K100-I133 HydrophobicContact CD-CG1 4Å; K100-I133 HydrophobicContact CG-CD1 4.04Å; K100-I133 HydrophobicContact CG-CG1 4.26Å; Y104-I133 HydrophobicContact CD2-CD1 4.08Å; Y104-I133 HydrophobicContact CE1-CG2 3.82Å; Y104-I133 HydrophobicContact CE2-CD1 3.62Å; Y104-I133 HydrophobicContact CE2-CG1 4.06Å; Y104-I133 HydrophobicContact CE2-CG2 4.44Å; Y104-I133 VanDerWaalsContact OH-CG2 3.29Å; Y104-I133 WeakPolarHBondContact OH-CG2 2.94Å; M128-I133 CarbonylContact C-O 3.57Å; M128-I133 HydrophobicContact CB-CB 3.95Å; M128-I133 HydrophobicContact CB-CD1 4.44Å; M128-I133 HydrophobicContact CB-CG2 4.12Å; M128-I133 HydrophobicContact CG-CD1 4.32Å; M128-I133 HydrophobicContact CG-CG2 4.41Å; M128-I133 WeakPolarHBondContact O-CB 3.29Å; M128-I133 PolarHBondContact O-N 2.98Å; L131-I133 HydrophobicContact CB-CD1 4.15Å; L131-I133 HydrophobicContact CB-CG1 4.31Å; L131-I133 PolarHBondContact O-N 3.07Å; I133-L135 HydrophobicContact CG2-CD2 4.45Å; I133-L135 HydrophobicContact CG2-CG 4.49Å
134V78.9Confident79.2Confident137 Ų13753.3 Ų53.383%0.8330%0.3SS*.  trans-90.9121.2175.7-176.30000107.9
135L81Confident78.8Confident34 Ų3453.6 Ų53.618%0.17830%0.301CS..  trans-107.5135.2166.6-65.3-178.9000107.7F107 M128 I133 T139 I140F107-L135 HydrophobicContact CD2-CD1 4.1Å; F107-L135 HydrophobicContact CE1-CD1 4.06Å; F107-L135 HydrophobicContact CE2-CD1 3.57Å; F107-L135 HydrophobicContact CZ-CD1 3.56Å; M128-L135 HydrophobicContact CE-CD1 4.47Å; M128-L135 HydrophobicContact SD-CD1 3.42Å; M128-L135 WeakPolarHBondContact SD-CD1 3.42Å; M128-L135 HydrophobicContact SD-CG 4.16Å; I133-L135 HydrophobicContact CG2-CD2 4.45Å; I133-L135 HydrophobicContact CG2-CG 4.49Å; L135-T139 HydrophobicContact CD2-CG2 4.08Å; L135-I140 HydrophobicContact CB-CD1 4.22Å; L135-I140 HydrophobicContact CB-CG1 3.97Å; L135-I140 HydrophobicContact CD1-CG1 4.28Å
136D82.1Confident78.2Confident86 Ų8660.3 Ų60.346%0.4633%0.33SS..  trans-70.8154.3169.765.194000110.6A138 T139 I140D136-A138 PolarHBondContact O-N 3.43Å; D136-A138 WeakPolarHBondContact OD1-CA 3.08Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 2.84Å; D136-T139 PolarHBondContact O-N 3.4Å; D136-T139 VanDerWaalsContact O-N 3.08Å; D136-T139 PolarHBondContact OD1-N 3.45Å; D136-T139 PolarHBondContact OD1-OG1 3.18Å; D136-T139 WeakPolarHBondContact OD2-CB 3.35Å; D136-T139 PolarHBondContact OD2-OG1 2.89Å; D136-I140 PolarHBondContact O-N 3.29Å
137D79.2Confident77.6Confident117 Ų11756.4 Ų56.463%0.62631%0.31SS*.Hα-helixtrans-57-33.7-179-68.6-20.5000111.8I140 I141D137-I140 PolarHBondContact O-N 2.94Å; D137-I141 HydrophobicContact CB-CD1 4.47Å; D137-I141 WeakPolarHBondContact O-CB 3.31Å; D137-I141 WeakPolarHBondContact O-CD1 3.33Å; D137-I141 WeakPolarHBondContact O-CG1 3.34Å; D137-I141 PolarHBondContact O-N 2.89Å
138A76.6Confident77.2Confident39 Ų3954 Ų5432%0.32230%0.301SS..Hα-helixtrans-68.3-36.6179.600000111.8D136 I141 G142 V163D136-A138 PolarHBondContact O-N 3.43Å; D136-A138 WeakPolarHBondContact OD1-CA 3.08Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 2.84Å; A138-I141 PolarHBondContact O-N 2.94Å; A138-G142 WeakPolarHBondContact O-CA 3.43Å; A138-G142 PolarHBondContact O-N 3.42Å; A138-V163 HydrophobicContact CB-CG1 3.94Å
139T81.9Confident76.5Confident56 Ų5655.7 Ų55.734%0.34431%0.314SS..Hα-helixtrans-64.6-41.4172.8-66.10000111.8F107 L135 D136 K143F107-T139 HydrophobicContact CE1-CG2 4.25Å; F107-T139 HydrophobicContact CZ-CG2 4.19Å; L135-T139 HydrophobicContact CD2-CG2 4.08Å; D136-T139 PolarHBondContact O-N 3.4Å; D136-T139 VanDerWaalsContact O-N 3.08Å; D136-T139 PolarHBondContact OD1-N 3.45Å; D136-T139 PolarHBondContact OD1-OG1 3.18Å; D136-T139 WeakPolarHBondContact OD2-CB 3.35Å; D136-T139 PolarHBondContact OD2-OG1 2.89Å; T139-K143 WeakPolarHBondContact O-CB 3.35Å; T139-K143 PolarHBondContact O-N 3.17Å
140I81Confident76Confident30 Ų3054.7 Ų54.715%0.15432%0.318CS..Hα-helixtrans-66.3-46.9177.5-60.8168.8000110.2L121 V125 L135 D136 D137 K143 A144L121-I140 HydrophobicContact CD2-CG2 4.17Å; V125-I140 HydrophobicContact CG1-CD1 3.84Å; V125-I140 HydrophobicContact CG2-CD1 4.27Å; V125-I140 HydrophobicContact CG2-CG1 4.15Å; V125-I140 HydrophobicContact CG2-CG2 4.26Å; L135-I140 HydrophobicContact CB-CD1 4.22Å; L135-I140 HydrophobicContact CB-CG1 3.97Å; L135-I140 HydrophobicContact CD1-CG1 4.28Å; D136-I140 PolarHBondContact O-N 3.29Å; D137-I140 PolarHBondContact O-N 2.94Å; I140-K143 PolarHBondContact O-N 3.4Å; I140-A144 PolarHBondContact O-N 3.48Å
141I77.7Confident75.9Confident64 Ų6460.1 Ų60.133%0.32834%0.339SS..Hα-helixtrans-61.8-47.6177.1-68.9164.3000110.3D137 A138 K143 A144 V145 V163D137-I141 HydrophobicContact CB-CD1 4.47Å; D137-I141 WeakPolarHBondContact O-CB 3.31Å; D137-I141 WeakPolarHBondContact O-CD1 3.33Å; D137-I141 WeakPolarHBondContact O-CG1 3.34Å; D137-I141 PolarHBondContact O-N 2.89Å; A138-I141 PolarHBondContact O-N 2.94Å; I141-K143 VanDerWaalsContact C-N 3.28Å; I141-K143 PolarHBondContact O-N 3.48Å; I141-A144 WeakPolarHBondContact O-CA 3.32Å; I141-A144 WeakPolarHBondContact O-CB 3.45Å; I141-A144 PolarHBondContact O-N 3.25Å; I141-V145 HydrophobicContact CG2-CG2 4.21Å; I141-V145 VanDerWaalsContact O-CG2 3.28Å; I141-V145 WeakPolarHBondContact O-CG2 3.49Å; I141-V145 PolarHBondContact O-N 3.45Å; I141-V163 HydrophobicContact CG2-CG2 4.19Å
142G78.3Confident75.8Confident21 Ų2162.9 Ų62.922%0.21635%0.351CS..Hα-helixtrans-59.1-39.5178.300000112.1A138 K146A138-G142 WeakPolarHBondContact O-CA 3.43Å; A138-G142 PolarHBondContact O-N 3.42Å; G142-K146 WeakPolarHBondContact O-CB 3.48Å; G142-K146 WeakPolarHBondContact O-CG 3.4Å; G142-K146 PolarHBondContact O-N 2.78Å
143K79.5Confident75.5Confident28 Ų2860.4 Ų60.412%0.12234%0.337CS..Hα-helixtrans-65.3-40.9172.6-177.966.6-164.8-173.60111.7F107 H108 Y110 L121 T139 I140 I141 K146 S147F107-K143 HydrophobicContact CE1-CB 4.26Å; F107-K143 HydrophobicContact CE1-CD 4.35Å; F107-K143 HydrophobicContact CE1-CG 4.18Å; F107-K143 HydrophobicContact CE2-CB 4.23Å; F107-K143 HydrophobicContact CE2-CG 3.99Å; F107-K143 HydrophobicContact CZ-CB 3.67Å; F107-K143 HydrophobicContact CZ-CD 4.42Å; F107-K143 HydrophobicContact CZ-CG 3.75Å; F107-K143 WeakPolarHBondContact O-CE 3.17Å; F107-K143 PolarHBondContact O-NZ 3.39Å; H108-K143 PolarHBondContact O-NZ 2.72Å; Y110-K143 WeakPolarHBondContact O-CE 3.24Å; Y110-K143 PolarHBondContact O-NZ 3.01Å; Y110-K143 VanDerWaalsContact O-NZ 3.07Å; L121-K143 HydrophobicContact CD1-CG 3.83Å; T139-K143 WeakPolarHBondContact O-CB 3.35Å; T139-K143 PolarHBondContact O-N 3.17Å; I140-K143 PolarHBondContact O-N 3.4Å; I141-K143 VanDerWaalsContact C-N 3.28Å; I141-K143 PolarHBondContact O-N 3.48Å; K143-K146 PolarHBondContact O-N 3.27Å; K143-S147 PolarHBondContact O-N 3.37Å; K143-S147 PolarHBondContact O-OG 2.82Å
144A77.8Confident75.1Confident29 Ų2968.2 Ų68.224%0.2437%0.368CS..Hα-helixtrans-64.2-43.8178.400000113F117 L121 I140 I141 S147F117-A144 VanDerWaalsContact CE1-CA 3.45Å; F117-A144 HydrophobicContact CE1-CB 3.82Å; L121-A144 HydrophobicContact CD2-CB 3.99Å; I140-A144 PolarHBondContact O-N 3.48Å; I141-A144 WeakPolarHBondContact O-CA 3.32Å; I141-A144 WeakPolarHBondContact O-CB 3.45Å; I141-A144 PolarHBondContact O-N 3.25Å; A144-S147 PolarHBondContact O-N 2.77Å
145V75.4Confident74.6Confident9 Ų966.4 Ų66.46%0.05535%0.349CS..Hα-helixtrans-64.7-46.5176.8176.10000110.7I141 S147 L148 R156 V159I141-V145 HydrophobicContact CG2-CG2 4.21Å; I141-V145 VanDerWaalsContact O-CG2 3.28Å; I141-V145 WeakPolarHBondContact O-CG2 3.49Å; I141-V145 PolarHBondContact O-N 3.45Å; V145-S147 PolarHBondContact O-N 3.36Å; V145-S147 VanDerWaalsContact O-N 3.13Å; V145-L148 WeakPolarHBondContact O-CG 3.49Å; V145-L148 PolarHBondContact O-N 3.14Å; V145-R156 HydrophobicContact CG1-CB 4.23Å; V145-R156 HydrophobicContact CG1-CG 4.02Å; V145-R156 WeakPolarHBondContact O-CG 3.23Å; V145-R156 PolarHBondContact O-NE 2.68Å; V145-R156 VanDerWaalsContact O-NE 3.1Å; V145-V159 HydrophobicContact CB-CG1 4.45Å; V145-V159 HydrophobicContact CG1-CB 4.2Å; V145-V159 HydrophobicContact CG1-CG1 4.15Å; V145-V159 HydrophobicContact CG2-CB 4.42Å; V145-V159 HydrophobicContact CG2-CG1 3.57Å
146K72.9Confident74Confident150 Ų15067 Ų6765%0.65235%0.349SS*.Hα-helixtrans-62.9-18.3177.8-83-173.6175.11790114.1G142 K143 R156G142-K146 WeakPolarHBondContact O-CB 3.48Å; G142-K146 WeakPolarHBondContact O-CG 3.4Å; G142-K146 PolarHBondContact O-N 2.78Å; K143-K146 PolarHBondContact O-N 3.27Å; K146-R156 PolarHBondContact O-NH2 2.61Å
147S68.8Low73Confident12 Ų1269.8 Ų69.88%0.08436%0.359CS..THydrogen-bonded Turntrans-100.92179.9-65.60000114.8Y110 F117 K143 A144 V145Y110-S147 PolarHBondContact O-OG 2.82Å; F117-S147 WeakPolarHBondContact CE2-OG 3.34Å; F117-S147 WeakPolarHBondContact CZ-OG 3.4Å; K143-S147 PolarHBondContact O-N 3.37Å; K143-S147 PolarHBondContact O-OG 2.82Å; A144-S147 PolarHBondContact O-N 2.77Å; V145-S147 PolarHBondContact O-N 3.36Å; V145-S147 VanDerWaalsContact O-N 3.13Å
148L68.7Low72.1Confident27 Ų2767 Ų6714%0.14135%0.347CS..SBendtrans-57.8162171.7-65.6173.3000111.5V114 V145 F152 F155 R156V114-L148 HydrophobicContact CB-CD2 4.45Å; V114-L148 HydrophobicContact CG1-CD2 4.02Å; V114-L148 HydrophobicContact CG2-CD2 3.65Å; V145-L148 WeakPolarHBondContact O-CG 3.49Å; V145-L148 PolarHBondContact O-N 3.14Å; L148-F152 HydrophobicContact CB-CB 3.93Å; L148-F152 HydrophobicContact CB-CD2 4.22Å; L148-F152 HydrophobicContact CB-CG 4.3Å; L148-F152 HydrophobicContact CD1-CB 4.09Å; L148-F155 HydrophobicContact CD1-CD1 3.67Å; L148-F155 HydrophobicContact CD1-CE1 4.09Å; L148-R156 HydrophobicContact CB-CG 4.46Å; L148-R156 HydrophobicContact CD1-CG 4.34Å; L148-R156 PolarHBondContact O-NH1 3.06Å; L148-R156 PolarHBondContact O-NH2 3.48Å
149A68Low71.4Confident35 Ų3566.4 Ų66.429%0.28934%0.34SS..  trans-66.2154.3172.800000110.1E151 F152A149-E151 HydrophobicContact CB-CB 4.4Å; A149-E151 PolarHBondContact O-N 2.81Å; A149-F152 HydrophobicContact CB-CD2 3.99Å; A149-F152 HydrophobicContact CB-CE2 4.2Å; A149-F152 PolarHBondContact O-N 2.81Å
150P70.5Confident70.2Confident94 Ų9467 Ų6761%0.6135%0.345SS*.G310 helixtrans-51.6-26.1172.2-26.734.8000113.7F152 D153P150-F152 PolarHBondContact O-N 3.29Å; P150-D153 WeakPolarHBondContact O-CB 3.33Å; P150-D153 PolarHBondContact O-N 3.24Å
151E68.9Low68.9Low152 Ų15270.7 Ų70.771%0.7137%0.37SS*.G310 helixtrans-57.5-19.7173.6-59.8172.1-145.800113.8A149 Y154A149-E151 HydrophobicContact CB-CB 4.4Å; A149-E151 PolarHBondContact O-N 2.81Å; E151-Y154 VanDerWaalsContact O-CE1 3.25Å; E151-Y154 WeakPolarHBondContact O-CE1 3.19Å
152F71Confident67.7Low72 Ų7274.4 Ų74.432%0.31639%0.386SS..G310 helixtrans-101.417.6177.7-60.8-87.5000113.1V114 L148 A149 P150 Y154 F155 R156V114-F152 HydrophobicContact CG2-CE2 4.22Å; L148-F152 HydrophobicContact CB-CB 3.93Å; L148-F152 HydrophobicContact CB-CD2 4.22Å; L148-F152 HydrophobicContact CB-CG 4.3Å; L148-F152 HydrophobicContact CD1-CB 4.09Å; A149-F152 HydrophobicContact CB-CD2 3.99Å; A149-F152 HydrophobicContact CB-CE2 4.2Å; A149-F152 PolarHBondContact O-N 2.81Å; P150-F152 PolarHBondContact O-N 3.29Å; F152-Y154 PolarHBondContact O-N 3.12Å; F152-F155 WeakPolarHBondContact O-CA 3.26Å; F152-F155 WeakPolarHBondContact O-CB 3.23Å; F152-F155 PolarHBondContact O-N 3.5Å; F152-R156 WeakPolarHBondContact O-CG 3.29Å; F152-R156 PolarHBondContact O-N 3.38Å
153D68.3Low66.4Low72 Ų7276 Ų7639%0.38539%0.391SS..Hα-helixtrans-58.9-31.4-177.8-77.4-11000113.1P150 F155 R156 Q157P150-D153 WeakPolarHBondContact O-CB 3.33Å; P150-D153 PolarHBondContact O-N 3.24Å; D153-F155 PolarHBondContact O-N 2.87Å; D153-R156 PolarHBondContact O-N 3.25Å; D153-R156 WeakPolarHBondContact OD1-CD 2.93Å; D153-R156 IonicContact OD1-CZ 3.21Å; D153-R156 IonicContact OD1-NE 2.78Å; D153-R156 IonicContact OD1-NH1 2.78Å; D153-R156 PolarHBondContact OD1-NH1 3.29Å; D153-Q157 PolarHBondContact O-N 2.88Å; D153-Q157 VanDerWaalsContact O-N 3.11Å
154Y71.1Confident64.5Low168 Ų16880.2 Ų80.266%0.65942%0.422SS*.Hα-helixtrans-61.5-27.4172.769.1-91.9000113.5E151 F152 P158E151-Y154 VanDerWaalsContact O-CE1 3.25Å; E151-Y154 WeakPolarHBondContact O-CE1 3.19Å; F152-Y154 PolarHBondContact O-N 3.12Å; Y154-P158 WeakPolarHBondContact O-CD 3.29Å; Y154-P158 WeakPolarHBondContact O-CG 3.31Å
155F68.4Low62.4Low100 Ų10086.5 Ų86.544%0.43945%0.447SS..Hα-helixtrans-90.8-32.4175.5-179.1-96.4000111.4L148 F152 D153 V159L148-F155 HydrophobicContact CD1-CD1 3.67Å; L148-F155 HydrophobicContact CD1-CE1 4.09Å; F152-F155 WeakPolarHBondContact O-CA 3.26Å; F152-F155 WeakPolarHBondContact O-CB 3.23Å; F152-F155 PolarHBondContact O-N 3.5Å; D153-F155 PolarHBondContact O-N 2.87Å; F155-V159 HydrophobicContact CD1-CG2 4.21Å; F155-V159 HydrophobicContact CD2-CG2 4.26Å; F155-V159 HydrophobicContact CE1-CG2 3.87Å; F155-V159 HydrophobicContact CE2-CG2 3.92Å; F155-V159 HydrophobicContact CG-CG2 4.4Å; F155-V159 HydrophobicContact CZ-CG2 3.72Å; F155-V159 WeakPolarHBondContact O-CB 3.44Å; F155-V159 WeakPolarHBondContact O-CG2 3.2Å; F155-V159 PolarHBondContact O-N 3.19Å
156R67.3Low60.4Low46 Ų4692.3 Ų92.317%0.17448%0.482CS..Hα-helixtrans-65.6-42.8-180-73.7166.8138.7177.7-5.8112.9V145 K146 L148 F152 D153 C160V145-R156 HydrophobicContact CG1-CB 4.23Å; V145-R156 HydrophobicContact CG1-CG 4.02Å; V145-R156 WeakPolarHBondContact O-CG 3.23Å; V145-R156 PolarHBondContact O-NE 2.68Å; V145-R156 VanDerWaalsContact O-NE 3.1Å; K146-R156 PolarHBondContact O-NH2 2.61Å; L148-R156 HydrophobicContact CB-CG 4.46Å; L148-R156 HydrophobicContact CD1-CG 4.34Å; L148-R156 PolarHBondContact O-NH1 3.06Å; L148-R156 PolarHBondContact O-NH2 3.48Å; F152-R156 WeakPolarHBondContact O-CG 3.29Å; F152-R156 PolarHBondContact O-N 3.38Å; D153-R156 PolarHBondContact O-N 3.25Å; D153-R156 WeakPolarHBondContact OD1-CD 2.93Å; D153-R156 IonicContact OD1-CZ 3.21Å; D153-R156 IonicContact OD1-NE 2.78Å; D153-R156 IonicContact OD1-NH1 2.78Å; D153-R156 PolarHBondContact OD1-NH1 3.29Å; R156-C160 VanDerWaalsContact O-CB 3.3Å; R156-C160 WeakPolarHBondContact O-CB 3.26Å; R156-C160 PolarHBondContact O-N 3.39Å; R156-C160 PolarHBondContact O-SG 3.26Å
157Q62.5Low58.7Low144 Ų14493.7 Ų93.767%0.67349%0.489SS*.Hα-helixtrans-64.1-52.3-175-75.8-178.2-15.700112.6D153 V159 C160 T161D153-Q157 PolarHBondContact O-N 2.88Å; D153-Q157 VanDerWaalsContact O-N 3.11Å; Q157-V159 PolarHBondContact O-N 3.38Å; Q157-C160 PolarHBondContact O-N 3.06Å; Q157-T161 PolarHBondContact O-N 3.3Å; Q157-T161 PolarHBondContact O-OG1 3.17Å
158P60.2Low56.9Low58 Ų58105.1 Ų105.138%0.37753%0.53SS..Hα-helixtrans-63.3-45.2179.2-20.732.8000112Y154 C160 T161 E162Y154-P158 WeakPolarHBondContact O-CD 3.29Å; Y154-P158 WeakPolarHBondContact O-CG 3.31Å; P158-C160 PolarHBondContact O-N 3.04Å; P158-T161 CarbonylContact O-C 3.45Å; P158-T161 WeakPolarHBondContact O-CA 3.45Å; P158-T161 WeakPolarHBondContact O-CB 3.49Å; P158-T161 PolarHBondContact O-N 3.23Å; P158-E162 PolarHBondContact O-N 3.16Å
159V62Low55.4Low27 Ų27110.2 Ų110.216%0.16455%0.551CS.*Hα-helixtrans-66.2-37.7-177.3179.50000111.7V145 F155 Q157 T161 E162 V163V145-V159 HydrophobicContact CB-CG1 4.45Å; V145-V159 HydrophobicContact CG1-CB 4.2Å; V145-V159 HydrophobicContact CG1-CG1 4.15Å; V145-V159 HydrophobicContact CG2-CB 4.42Å; V145-V159 HydrophobicContact CG2-CG1 3.57Å; F155-V159 HydrophobicContact CD1-CG2 4.21Å; F155-V159 HydrophobicContact CD2-CG2 4.26Å; F155-V159 HydrophobicContact CE1-CG2 3.87Å; F155-V159 HydrophobicContact CE2-CG2 3.92Å; F155-V159 HydrophobicContact CG-CG2 4.4Å; F155-V159 HydrophobicContact CZ-CG2 3.72Å; F155-V159 WeakPolarHBondContact O-CB 3.44Å; F155-V159 WeakPolarHBondContact O-CG2 3.2Å; F155-V159 PolarHBondContact O-N 3.19Å; Q157-V159 PolarHBondContact O-N 3.38Å; V159-T161 PolarHBondContact O-N 2.85Å; V159-E162 PolarHBondContact O-N 2.74Å; V159-V163 HydrophobicContact CG1-CG2 3.47Å; V159-V163 VanDerWaalsContact CG1-CG2 3.47Å; V159-V163 VanDerWaalsContact O-CB 3.23Å; V159-V163 WeakPolarHBondContact O-CB 3Å; V159-V163 WeakPolarHBondContact O-CG2 3.31Å; V159-V163 PolarHBondContact O-N 3.34Å
160C56.2Low53.8Low68 Ų68113.9 Ų113.946%0.45957%0.566SS.*Hα-helixtrans-66.8-17.6172.6-68.10000113.4R156 Q157 P158R156-C160 VanDerWaalsContact O-CB 3.3Å; R156-C160 WeakPolarHBondContact O-CB 3.26Å; R156-C160 PolarHBondContact O-N 3.39Å; R156-C160 PolarHBondContact O-SG 3.26Å; Q157-C160 PolarHBondContact O-N 3.06Å; P158-C160 PolarHBondContact O-N 3.04Å
161T53.6Low52.3Low109 Ų109115.5 Ų115.567%0.66957%0.574SS**Hα-helixtrans-93.8-32.8178.5-38.50000111.4Q157 P158 V159Q157-T161 PolarHBondContact O-N 3.3Å; Q157-T161 PolarHBondContact O-OG1 3.17Å; P158-T161 CarbonylContact O-C 3.45Å; P158-T161 WeakPolarHBondContact O-CA 3.45Å; P158-T161 WeakPolarHBondContact O-CB 3.49Å; P158-T161 PolarHBondContact O-N 3.23Å; V159-T161 PolarHBondContact O-N 2.85Å
162E52.7Low50.6Low142 Ų142110.7 Ų110.766%0.66456%0.557SS**Hα-helixtrans-93.7-20.2-177-71.1179.8170.800114.5P158 V159 C164 E165P158-E162 PolarHBondContact O-N 3.16Å; V159-E162 PolarHBondContact O-N 2.74Å; E162-C164 PolarHBondContact O-N 2.87Å; E162-E165 PolarHBondContact O-N 3.26Å; E162-E165 VanDerWaalsContact O-N 3.14Å
163V50.4Low49Very low53 Ų53109.4 Ų109.432%0.32156%0.555SS.*THydrogen-bonded Turntrans-66.10.8178.7170.50000113.2A138 I141 V159A138-V163 HydrophobicContact CB-CG1 3.94Å; I141-V163 HydrophobicContact CG2-CG2 4.19Å; V159-V163 HydrophobicContact CG1-CG2 3.47Å; V159-V163 VanDerWaalsContact CG1-CG2 3.47Å; V159-V163 VanDerWaalsContact O-CB 3.23Å; V159-V163 WeakPolarHBondContact O-CB 3Å; V159-V163 WeakPolarHBondContact O-CG2 3.31Å; V159-V163 PolarHBondContact O-N 3.34Å
164C40.5Very low47.5Very low117 Ų117109.4 Ų109.479%0.79157%0.565SS**THydrogen-bonded Turntrans-76.4-16.5169.1-89.60000114.8E162E162-C164 PolarHBondContact O-N 2.87Å
165E33.2Very low45.8Very low162 Ų162106 Ų10676%0.75756%0.564SS**SBendtrans-142.5110.1-177.5-68.7-177.7167.300112.3E162E162-E165 PolarHBondContact O-N 3.26Å; E162-E165 VanDerWaalsContact O-N 3.14Å
166T32.9Very low44.3Very low130 Ų130109.6 Ų109.680%0.79858%0.575SS**  trans59.590.8158.7320000118.8
167F36.5Very low42.9Very low180 Ų180115.8 Ų115.879%0.78960%0.604SS**  trans-153112148.9-102.2-78.8000113F169F167-F169 HydrophobicContact CD1-CD2 4.19Å; F167-F169 PolarHBondContact O-N 2.93Å
168R31.3Very low41.7Very low252 Ų252118.2 Ų118.295%0.95161%0.607SS**  trans-74.2104.8158.2-92.5-179.5167.6149.8-3.4107.4
169F38Very low40.6Very low134 Ų134121.9 Ų121.959%0.58862%0.622SS**  trans-106.8109.7173.2-136.8-95.7000110.3F167 V171 V173F167-F169 HydrophobicContact CD1-CD2 4.19Å; F167-F169 PolarHBondContact O-N 2.93Å; F169-V171 PolarHBondContact O-N 3.26Å; F169-V173 HydrophobicContact CD1-CB 4.34Å; F169-V173 HydrophobicContact CE1-CB 3.62Å; F169-V173 HydrophobicContact CE1-CG1 3.65Å; F169-V173 HydrophobicContact CE1-CG2 4.42Å; F169-V173 HydrophobicContact CZ-CB 4.26Å; F169-V173 HydrophobicContact CZ-CG1 3.87Å
170D34Very low39.4Very low112 Ų112127.6 Ų127.660%0.59965%0.652SS**  trans-65.8123.9174.2-168-38000109.6S172 V173D170-S172 VanDerWaalsContact CG-OG 3.3Å; D170-S172 PolarHBondContact O-N 3.23Å; D170-S172 WeakPolarHBondContact OD1-CB 3.31Å; D170-S172 PolarHBondContact OD1-N 3.41Å; D170-S172 PolarHBondContact OD1-OG 2.67Å; D170-V173 PolarHBondContact O-N 3.13Å; D170-V173 VanDerWaalsContact O-N 3.14Å
171V38.3Very low38.4Very low127 Ų127132.6 Ų132.677%0.7767%0.666SS**THydrogen-bonded Turntrans-59.9-8.7-175.9-179.50000112.3F169 V173F169-V171 PolarHBondContact O-N 3.26Å; V171-V173 VanDerWaalsContact C-N 3.35Å; V171-V173 PolarHBondContact O-N 3.04Å
172S34.6Very low37.5Very low52 Ų52133.2 Ų133.236%0.36467%0.67SS.*THydrogen-bonded Turntrans-75.5-8.3173.566.70000116.1D170D170-S172 VanDerWaalsContact CG-OG 3.3Å; D170-S172 PolarHBondContact O-N 3.23Å; D170-S172 WeakPolarHBondContact OD1-CB 3.31Å; D170-S172 PolarHBondContact OD1-N 3.41Å; D170-S172 PolarHBondContact OD1-OG 2.67Å
173V36.7Very low36.8Very low44 Ų44131.6 Ų131.627%0.26767%0.674SS.*SBendtrans-93.5-26-177.6179.60000112.9F169 D170 V171 C175 R176F169-V173 HydrophobicContact CD1-CB 4.34Å; F169-V173 HydrophobicContact CE1-CB 3.62Å; F169-V173 HydrophobicContact CE1-CG1 3.65Å; F169-V173 HydrophobicContact CE1-CG2 4.42Å; F169-V173 HydrophobicContact CZ-CB 4.26Å; F169-V173 HydrophobicContact CZ-CG1 3.87Å; D170-V173 PolarHBondContact O-N 3.13Å; D170-V173 VanDerWaalsContact O-N 3.14Å; V171-V173 VanDerWaalsContact C-N 3.35Å; V171-V173 PolarHBondContact O-N 3.04Å; V173-C175 PolarHBondContact O-N 2.75Å; V173-R176 PolarHBondContact O-N 3.38Å
174A37.3Very low36.2Very low72 Ų72137 Ų13760%0.59570%0.696SS**THydrogen-bonded Turntrans-66.8-20.9175.700000113.4
175C35.1Very low36Very low96 Ų96138.3 Ų138.365%0.64969%0.688SS**THydrogen-bonded Turntrans-80-18.1172.7-80.90000113.9V173V173-C175 PolarHBondContact O-N 2.75Å
176R36.1Very low36.3Very low176 Ų176136 Ų13666%0.66469%0.685SS**THydrogen-bonded Turntrans-88-17.9-177.2-83.3-177-98.8-173.1-4.7114.6V173 R178V173-R176 PolarHBondContact O-N 3.38Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.98Å
177F37.9Very low36.4Very low176 Ų176137.7 Ų137.777%0.77268%0.684SS**G310 helixtrans-84.6-0.8175.8-90.5-86000114.8L179F177-L179 PolarHBondContact O-N 3.3Å
178R37.3Very low36.3Very low196 Ų196135.4 Ų135.474%0.7468%0.676SS**G310 helixtrans-75.3-0.1177.1-107.5-176.9-163.2-177.26.6115.3R176R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.98Å
179L38.2Very low36.6Very low134 Ų134127.2 Ų127.270%0.70266%0.657SS**G310 helixtrans-109.6-8.3-172.2-75164.7000115.9F177F177-L179 PolarHBondContact O-N 3.3Å
180N35.6Very low36.4Very low148 Ų148128.7 Ų128.779%0.79166%0.664SS**SBendtrans-118.614.1-167.8-81.2-7.7000117.7
181K35.8Very low36.5Very low173 Ų173131.6 Ų131.675%0.75267%0.671SS**  trans-133.923.3173-83.9-168176.3-178.70115.3S183K181-S183 PolarHBondContact O-N 3.36Å
182T34.9Very low36.3Very low121 Ų121135.4 Ų135.474%0.74267%0.671SS**THydrogen-bonded Turntrans-72.810.6179-21.70000114.4
183S38.8Very low36.4Very low109 Ų109137.7 Ų137.776%0.76268%0.683SS**THydrogen-bonded Turntrans-125.36.3-171.2-158.50000116.3K181K181-S183 PolarHBondContact O-N 3.36Å
184Q37.2Very low36.2Very low167 Ų167142.5 Ų142.578%0.7870%0.703SS**SBendtrans-131.35.3-177-84.4-176.8-23.800116.5
185F35.6Very low36.4Very low143 Ų143142.7 Ų142.763%0.62770%0.704SS**  trans-108.714178-91-83.8000114.8E187 E188F185-E187 VanDerWaalsContact C-N 3.31Å; F185-E187 PolarHBondContact O-N 3.03Å; F185-E188 WeakPolarHBondContact CE1-OE2 3.47Å
186V39.1Very low36.8Very low113 Ų113145.3 Ų145.369%0.68571%0.707SS**SBendtrans-80.5-9.3180-179.20000112.6
187E36.3Very low37.2Very low167 Ų167143.8 Ų143.878%0.7871%0.705SS**SBendtrans-100.4-18-178.5-79.9178.914300116F185F185-E187 VanDerWaalsContact C-N 3.31Å; F185-E187 PolarHBondContact O-N 3.03Å
188E34.9Very low37.8Very low131 Ų131145.1 Ų145.161%0.61271%0.706SS**G310 helixtrans-87.4-11.5176-78.6-175.2143.100114F185 K190 K191F185-E188 WeakPolarHBondContact CE1-OE2 3.47Å; E188-K190 PolarHBondContact O-N 3.45Å; E188-K191 PolarHBondContact O-N 2.87Å
189S36.8Very low38.9Very low81 Ų81138.5 Ų138.557%0.56669%0.688SS**G310 helixtrans-70.7-8.5176.7-58.20000113.6
190K34.8Very low40.7Very low165 Ų165135.6 Ų135.672%0.71768%0.675SS**G310 helixtrans-88.1-12.4175.3-70.1179.7179.6173.50114E188E188-K190 PolarHBondContact O-N 3.45Å
191K35.7Very low42.8Very low172 Ų172128.5 Ų128.575%0.74864%0.637SS**THydrogen-bonded Turntrans-95-22.1178.8-70.8-177.9179.7174.60113.9E188E188-K191 PolarHBondContact O-N 2.87Å
192R34Very low44.5Very low207 Ų207130.2 Ų130.278%0.78164%0.639SS**G310 helixtrans-79.3-15174.2-94.8-179.4174.2168.81.7114.8Q194 A195R192-Q194 PolarHBondContact O-N 3.12Å; R192-A195 PolarHBondContact O-N 3.45Å
193V35.5Very low46.4Very low100 Ų100127.6 Ų127.661%0.60662%0.621SS**G310 helixtrans-72.3-16.4174.8179.70000112.1
194Q34.2Very low48.5Very low146 Ų146123.5 Ų123.568%0.68259%0.592SS**G310 helixtrans-83.1-11.8174.9-72.7-179-5.500114R192R192-Q194 PolarHBondContact O-N 3.12Å
195A39.7Very low50.5Low76 Ų76122.8 Ų122.863%0.62859%0.586SS**G310 helixtrans-88.4-4.6-17800000114.5R192 K197R192-A195 PolarHBondContact O-N 3.45Å; A195-K197 VanDerWaalsContact C-N 3.26Å; A195-K197 PolarHBondContact O-N 3.2Å
196Q43.9Very low52.6Low151 Ų151122.4 Ų122.471%0.70658%0.584SS**G310 helixtrans-78.8-3.3171.8-91.4172.3-24.800113.9Y198Q196-Y198 VanDerWaalsContact C-N 3.29Å; Q196-Y198 PolarHBondContact O-N 3.04Å
197K44.3Very low54.6Low144 Ų144123.9 Ų123.963%0.62658%0.581SS**G310 helixtrans-79.18.4-176.8-83-175.9172.5-178.80116.3A195A195-K197 VanDerWaalsContact C-N 3.26Å; A195-K197 PolarHBondContact O-N 3.2Å
198Y50.8Low56.3Low203 Ų203121.4 Ų121.480%0.79657%0.574SS**G310 helixtrans-130.127.9-175.9-71.2-81.6000114.8Q196Q196-Y198 VanDerWaalsContact C-N 3.29Å; Q196-Y198 PolarHBondContact O-N 3.04Å
199V60.8Low58.7Low58 Ų58116.9 Ų116.935%0.35255%0.553SS.*PPolyproline II helixtrans-97.3123.4175.3-173.80000110.8K207 D208 I210V199-K207 CarbonylContact O-C 3.58Å; V199-K207 WeakPolarHBondContact O-CA 3.1Å; V199-D208 PolarHBondContact O-N 2.84Å; V199-I210 HydrophobicContact CG1-CG2 3.35Å
200V76.7Confident60.6Low72 Ų72115.5 Ų115.544%0.43654%0.538SS..BIsolated β-bridgetrans-99.4126.3176.9-178.20000109.4W202 K207V200-W202 PolarHBondContact O-N 3.03Å; V200-K207 HydrophobicContact CG2-CG 4.4Å
201C78.8Confident62.5Low0 Ų0113.6 Ų113.60%053%0.532CS..PPolyproline II helixtrans-69126.6178.7178.40000111.6N203 C204 K205 K206 H209C201-N203 VanDerWaalsContact C-N 3.25Å; C201-N203 PolarHBondContact O-N 3.49Å; C201-N203 PolarHBondContact SG-N 3.41Å; C201-C204 VanDerWaalsContact SG-SG 3.69Å; C201-K205 WeakPolarHBondContact O-CA 3.38Å; C201-K205 PolarHBondContact O-N 3.17Å; C201-K206 WeakPolarHBondContact CB-O 3.4Å; C201-K206 PolarHBondContact N-O 3.24Å; C201-H209 WeakPolarHBondContact CA-O 3.39Å; C201-H209 VanDerWaalsContact CB-NE2 3.32Å; C201-H209 WeakPolarHBondContact CB-NE2 3.2Å; C201-H209 WeakPolarHBondContact CB-O 3.3Å; C201-H209 PolarHBondContact N-O 2.81Å; C201-H209 PolarHBondContact SG-NE2 3.32Å
202W72.6Confident64.2Low208 Ų208115.6 Ų115.679%0.78854%0.535SS*.THydrogen-bonded Turntrans-69.6-21.5179.8-75.254.4000113.5V200V200-W202 PolarHBondContact O-N 3.03Å
203N74.1Confident66.2Low66 Ų66111 Ų11135%0.35352%0.522SS..THydrogen-bonded Turntrans-84.1-51178.8-174.444.8000113C201 Q211 C214 N216C201-N203 VanDerWaalsContact C-N 3.25Å; C201-N203 PolarHBondContact O-N 3.49Å; C201-N203 PolarHBondContact SG-N 3.41Å; N203-Q211 HydrophobicContact CB-CG 4.25Å; N203-C214 HydrophobicContact CB-CB 4.4Å; N203-C214 PolarHBondContact ND2-SG 2.9Å; N203-C214 VanDerWaalsContact ND2-SG 3.36Å; N203-N216 PolarHBondContact ND2-O 2.62Å
204C83.5Confident68.4Low24 Ų24107.4 Ų107.416%0.16250%0.501CS..THydrogen-bonded Turntrans-110.8-0.6-173.274.70000114.8C201 K206 H209 C214 N216C201-C204 VanDerWaalsContact SG-SG 3.69Å; C204-K206 PolarHBondContact O-N 3.11Å; C204-H209 PolarHBondContact SG-CE1 3.16Å; C204-H209 PolarHBondContact SG-NE2 3.44Å; C204-C214 VanDerWaalsContact SG-SG 3.7Å; C204-N216 HydrophobicContact CB-CB 4.26Å
205K78.2Confident70.4Confident151 Ų151112.3 Ų112.366%0.65751%0.514SS*.  trans58.111.2-178.4-53-62-173.7-178.30115.3C201C201-K205 WeakPolarHBondContact O-CA 3.38Å; C201-K205 PolarHBondContact O-N 3.17Å
206K80.7Confident72Confident135 Ų135113 Ų11359%0.58751%0.506SS*.  trans-84.6150.6173.1-60.9-178.8178.8-1750110.5C201 C204C201-K206 WeakPolarHBondContact CB-O 3.4Å; C201-K206 PolarHBondContact N-O 3.24Å; C204-K206 PolarHBondContact O-N 3.11Å
207K80.4Confident72.4Confident144 Ų144115.7 Ų115.763%0.62652%0.516SS*.BIsolated β-bridgetrans-72.4171.7175.8-60.6179.6-178.81790110.6V199 V200 H209V199-K207 CarbonylContact O-C 3.58Å; V199-K207 WeakPolarHBondContact O-CA 3.1Å; V200-K207 HydrophobicContact CG2-CG 4.4Å; K207-H209 PolarHBondContact O-N 2.84Å; K207-H209 PolarHBondContact O-ND1 2.93Å
208D72.8Confident72.6Confident116 Ų116119 Ų11962%0.6252%0.524SS*.SBendtrans7214.5169.3-51.7-45.5000117.2V199V199-D208 PolarHBondContact O-N 2.84Å
209H83.7Confident71.7Confident36 Ų36114.5 Ų114.517%0.16752%0.522CS..  trans-161.5164.2169.667.6-71.2000113.1C201 C204 K207 E213 C214C201-H209 WeakPolarHBondContact CA-O 3.39Å; C201-H209 VanDerWaalsContact CB-NE2 3.32Å; C201-H209 WeakPolarHBondContact CB-NE2 3.2Å; C201-H209 WeakPolarHBondContact CB-O 3.3Å; C201-H209 PolarHBondContact N-O 2.81Å; C201-H209 PolarHBondContact SG-NE2 3.32Å; C204-H209 PolarHBondContact SG-CE1 3.16Å; C204-H209 PolarHBondContact SG-NE2 3.44Å; K207-H209 PolarHBondContact O-N 2.84Å; K207-H209 PolarHBondContact O-ND1 2.93Å; H209-E213 HydrophobicContact CB-CB 4.23Å; H209-C214 PolarHBondContact NE2-SG 2.94Å
210I76.8Confident70.3Confident52 Ų52120.7 Ų120.727%0.26755%0.549SS..  trans-101.2166.9174.447-176.2000112.1V199 R212 E213 C214V199-I210 HydrophobicContact CG1-CG2 3.35Å; I210-R212 HydrophobicContact CD1-CG 3.59Å; I210-R212 HydrophobicContact CG1-CG 3.67Å; I210-R212 PolarHBondContact O-N 3.43Å; I210-R212 VanDerWaalsContact O-N 3.14Å; I210-E213 HydrophobicContact CG1-CB 4.42Å; I210-E213 HydrophobicContact CG1-CG 4.25Å; I210-E213 PolarHBondContact O-N 2.96Å; I210-C214 PolarHBondContact O-N 3.35Å
211Q75.9Confident68.1Low125 Ų125122.3 Ų122.358%0.58456%0.559SS**G310 helixtrans-52.5-38.5-176.6-176.8171.815.700113.6N203 E213 C214N203-Q211 HydrophobicContact CB-CG 4.25Å; Q211-E213 PolarHBondContact O-N 3.18Å; Q211-C214 WeakPolarHBondContact O-CB 3.36Å; Q211-C214 PolarHBondContact O-N 3.38Å
212R71.5Confident65.7Low214 Ų214129 Ų12981%0.80860%0.6SS**G310 helixtrans-68.2-16.1178.760.9175.3-171.6-144.9-10114.9I210I210-R212 HydrophobicContact CD1-CG 3.59Å; I210-R212 HydrophobicContact CG1-CG 3.67Å; I210-R212 PolarHBondContact O-N 3.43Å; I210-R212 VanDerWaalsContact O-N 3.14Å
213E76.4Confident63.6Low110 Ų110124 Ų12451%0.51459%0.592SS.*G310 helixtrans-109.78.9-178.5-72.7155.5-15300112.1H209 I210 Q211 R215H209-E213 HydrophobicContact CB-CB 4.23Å; I210-E213 HydrophobicContact CG1-CB 4.42Å; I210-E213 HydrophobicContact CG1-CG 4.25Å; I210-E213 PolarHBondContact O-N 2.96Å; Q211-E213 PolarHBondContact O-N 3.18Å; E213-R215 PolarHBondContact O-N 3.35Å
214C80Confident61.3Low25 Ų25125.4 Ų125.417%0.16961%0.613CS.*  trans-75.3112.8-175-164.70000112N203 C204 H209 I210 Q211 N216N203-C214 HydrophobicContact CB-CB 4.4Å; N203-C214 PolarHBondContact ND2-SG 2.9Å; N203-C214 VanDerWaalsContact ND2-SG 3.36Å; C204-C214 VanDerWaalsContact SG-SG 3.7Å; H209-C214 PolarHBondContact NE2-SG 2.94Å; I210-C214 PolarHBondContact O-N 3.35Å; Q211-C214 WeakPolarHBondContact O-CB 3.36Å; Q211-C214 PolarHBondContact O-N 3.38Å; C214-N216 PolarHBondContact O-N 3.13Å
215R77.4Confident58.7Low249 Ų249130.1 Ų130.194%0.9464%0.636SS**  trans-71.6-4.5174.7-69.4-175.4177.1-176.2-0.8114.5E213 K217E213-R215 PolarHBondContact O-N 3.35Å; R215-K217 PolarHBondContact O-N 3.01Å
216N72.2Confident56.3Low89 Ų89130.5 Ų130.548%0.47665%0.645SS.*  trans-87.8106.2-176.4-136.310.2000110.6N203 C204 C214 R218N203-N216 PolarHBondContact ND2-O 2.62Å; C204-N216 HydrophobicContact CB-CB 4.26Å; C214-N216 PolarHBondContact O-N 3.13Å; N216-R218 VanDerWaalsContact C-N 3.29Å; N216-R218 PolarHBondContact O-N 3.3Å
217K52.9Low54Low209 Ų209131.1 Ų131.191%0.90965%0.654SS**  trans-74.674.1175.5-67.3-176.5-179.8-179.50110.9R215R215-K217 PolarHBondContact O-N 3.01Å
218R47.7Very low51.6Low212 Ų212132.7 Ų132.780%0.866%0.664SS**  trans-97.799.7156.2-93-174.2174.5173.6-1.8108.3N216 M220N216-R218 VanDerWaalsContact C-N 3.29Å; N216-R218 PolarHBondContact O-N 3.3Å; R218-M220 PolarHBondContact O-N 3.44Å
219C33.7Very low49.6Very low110 Ų110134.4 Ų134.474%0.74367%0.672SS**  trans-48.2130.2167.8-151.50000108.9V221C219-V221 HydrophobicContact CB-CG2 4.35Å; C219-V221 PolarHBondContact O-N 3.01Å
220M30.7Very low47.3Very low187 Ų187142.3 Ų142.392%0.92171%0.71SS**  trans-6686160.7-86.7-171.9-72.300106.9R218 T222R218-M220 PolarHBondContact O-N 3.44Å; M220-T222 PolarHBondContact O-N 3.26Å
221V30.7Very low45.2Very low107 Ų107151.5 Ų151.565%0.64874%0.741SS**  trans-67.7121.8161.2179.30000105.4C219 V223C219-V221 HydrophobicContact CB-CG2 4.35Å; C219-V221 PolarHBondContact O-N 3.01Å; V221-V223 WeakPolarHBondContact O-CG2 3.34Å; V221-V223 PolarHBondContact O-N 3.36Å
222T27.4Very low43.3Very low139 Ų139151.3 Ų151.385%0.85375%0.75SS**  trans-51.8103.4169.9-26.10000107.8M220 A224M220-T222 PolarHBondContact O-N 3.26Å; T222-A224 PolarHBondContact O-N 3.03Å
223V28.3Very low41.4Very low104 Ų104147.6 Ų147.663%0.6375%0.752SS**  trans-7992.9-179.61790000107.5V221 L225V221-V223 WeakPolarHBondContact O-CG2 3.34Å; V221-V223 PolarHBondContact O-N 3.36Å; V223-L225 HydrophobicContact CG1-CB 4.09Å; V223-L225 HydrophobicContact CG1-CD1 3.2Å; V223-L225 HydrophobicContact CG1-CD2 4.31Å; V223-L225 HydrophobicContact CG1-CG 3.23Å; V223-L225 PolarHBondContact O-N 3.35Å
224A26.5Very low39.2Very low95 Ų95148.6 Ų148.679%0.78577%0.768SS**  trans-66.3108.4152.700000106.9T222T222-A224 PolarHBondContact O-N 3.03Å
225L28.7Very low36.7Very low123 Ų123151.2 Ų151.264%0.64480%0.799SS**  trans-115.8101.3171.1-87.3165.7000109.6V223 L227V223-L225 HydrophobicContact CG1-CB 4.09Å; V223-L225 HydrophobicContact CG1-CD1 3.2Å; V223-L225 HydrophobicContact CG1-CD2 4.31Å; V223-L225 HydrophobicContact CG1-CG 3.23Å; V223-L225 PolarHBondContact O-N 3.35Å; L225-L227 HydrophobicContact CB-CD1 4.24Å
226N27.5Very low34.2Very low160 Ų160142.7 Ų142.786%0.85679%0.789SS**  trans-55127.1146.2-65.7-26.4000107.8
227L32.8Very low32Very low148 Ų148147.7 Ų147.778%0.77581%0.807SS**  trans-130.684173-89.8153.5000108.2L225L225-L227 HydrophobicContact CB-CD1 4.24Å
228E29.5Very low30.7Very low177 Ų177144.1 Ų144.183%0.82780%0.802SS**  trans-92.7138.9152.3-72.3-173.8160.300108.2
229N31.1Very low29.7Very low151 Ų151139 Ų13981%0.80779%0.789SS**  trans6597.5165.9-65.6-27.8000119
230E35.1Very low29.3Very low203 Ų203144.5 Ų144.595%0.94979%0.794SS**  trans-154138.6138.3-112.7172.6-157.900112
231R32.5Very low29.3Very low245 Ų245139.5 Ų139.593%0.92578%0.775SS**  trans-81.7161.9-169.5-82.4-179.1179.8-178.90.2113.2
232P36.1Very low29.4Very low120 Ų120142.2 Ų142.278%0.77979%0.785SS**  trans-96.8154.6-149.736.8-33000114.9
233T33Very low29.9Very low136 Ų136138.6 Ų138.683%0.83476%0.76SS**  trans-121.6147.7156.421.70000109.8
234P30.2Very low30.6Very low131 Ų131143.1 Ų143.185%0.85178%0.775SS**SBendtrans-87.7122.7-146.932.4-31.7000112.2
235G26.8Very low31.6Very low80 Ų80141.7 Ų141.783%0.82575%0.754SS**  trans162.8-7.8172.800000118.2
236G24.6Very low32.5Very low70 Ų70146.2 Ų146.272%0.72276%0.762SS**  trans-113.1101.917900000112.3V238G236-V238 PolarHBondContact O-N 2.95Å
237F25.9Very low33.7Very low195 Ų195140.1 Ų140.186%0.85573%0.728SS**  trans-72.2103.9168.2-97-87.6000109.4I239F237-I239 HydrophobicContact CD1-CD1 3.74Å; F237-I239 HydrophobicContact CD1-CG1 3.9Å; F237-I239 HydrophobicContact CE1-CD1 4.18Å
238V24.9Very low34.5Very low134 Ų134140.2 Ų140.281%0.81273%0.725SS**  trans-100.4106.6161-179.30000106.5G236G236-V238 PolarHBondContact O-N 2.95Å
239I27.6Very low35.5Very low104 Ų104143 Ų14353%0.53373%0.728SS.*  trans-112.7114.1171.1-60.2179.3000106.8F237 E344F237-I239 HydrophobicContact CD1-CD1 3.74Å; F237-I239 HydrophobicContact CD1-CG1 3.9Å; F237-I239 HydrophobicContact CE1-CD1 4.18Å; I239-E344 VanDerWaalsContact O-CD 3.25Å
240R25.5Very low36.4Very low226 Ų226140.2 Ų140.285%0.85371%0.713SS**  trans-77.3119170.3-71.2173.2116.4175.91.6108.6
241T31.3Very low37.8Very low82 Ų82133.6 Ų133.650%0.50368%0.684SS.*  trans-92.2126.6165.952.70000112.3L243 E344T241-L243 PolarHBondContact O-N 2.79Å; T241-L243 VanDerWaalsContact O-N 3.12Å; T241-E344 WeakPolarHBondContact CB-OE2 3.27Å; T241-E344 HydrophobicContact CG2-CB 4.48Å; T241-E344 PolarHBondContact N-OE2 2.78Å; T241-E344 WeakPolarHBondContact OG1-CB 3.32Å; T241-E344 PolarHBondContact OG1-OE2 2.98Å
242N31.9Very low39.9Very low164 Ų164122.4 Ų122.488%0.87765%0.645SS**  trans-7684.4174.6-78.9-22000110.7
243L38.7Very low42.5Very low62 Ų62116.9 Ų116.933%0.32561%0.609SS.*  trans-117.8104.2165-156.475.8000109.6T241 L245 L368T241-L243 PolarHBondContact O-N 2.79Å; T241-L243 VanDerWaalsContact O-N 3.12Å; L243-L245 HydrophobicContact CG-CB 4.47Å; L243-L245 PolarHBondContact O-N 3.36Å; L243-L245 VanDerWaalsContact O-N 3.08Å; L243-L368 HydrophobicContact CD2-CD1 4.15Å
244E41.4Very low45.2Very low200 Ų200111.5 Ų111.594%0.93558%0.575SS**  trans-74.915.4-180-68.8-174.8153.800114
245L48Very low48Very low65 Ų65106.3 Ų106.334%0.3454%0.541SS..  trans-105.892.6177.8-66170.5000109.7L243 Y302 L368L243-L245 HydrophobicContact CG-CB 4.47Å; L243-L245 PolarHBondContact O-N 3.36Å; L243-L245 VanDerWaalsContact O-N 3.08Å; L245-Y302 HydrophobicContact CD1-CD1 4.48Å; L245-Y302 HydrophobicContact CD1-CE1 3.96Å; L245-Y302 HydrophobicContact CD1-CE2 4.3Å; L245-L368 HydrophobicContact CB-CD2 4.47Å
246R47.9Very low50.9Low217 Ų217104.8 Ų104.882%0.81951%0.513SS*.  trans-107.2133.4170.8-72.5-175.1172.4172.1-2.7110.4
247Q53Low53.8Low32 Ų32106.3 Ų106.315%0.1551%0.513CS..  trans-84.9155.9170.3-68.3-175.3-35.600110.6L367 L368 I369Q247-L367 PolarHBondContact OE1-O 3.1Å; Q247-L368 HydrophobicContact CG-CD2 4.3Å; Q247-I369 PolarHBondContact NE2-O 2.99Å; Q247-I369 PolarHBondContact OE1-O 3.11Å
248E49.9Very low56.5Low151 Ų151100.1 Ų100.171%0.70650%0.504SS*.  trans-58142.7173.7-66.5-169.5-176.500110.4N250 D251E248-N250 PolarHBondContact O-N 2.94Å; E248-D251 PolarHBondContact O-N 3.38Å
249R49.4Very low59.4Low234 Ų23494.1 Ų94.188%0.88347%0.469SS*.THydrogen-bonded Turntrans-57.1-15.3-169.7-79.1-178.5172.1171.7-2.1115.4
250N49.9Very low61.9Low94 Ų9497.4 Ų97.450%0.50348%0.479SS..THydrogen-bonded Turntrans-109.80.8-178.5-69.3-18.7000114.4E248 S323E248-N250 PolarHBondContact O-N 2.94Å; N250-S323 WeakPolarHBondContact CA-O 3.14Å; N250-S323 WeakPolarHBondContact OD1-CB 3.29Å
251D64.6Low65Low64 Ų6490.4 Ų90.434%0.34246%0.455SS..THydrogen-bonded Turntrans-109.9-2.2-176.1-71.4-7.4000113.3E248 W269E248-D251 PolarHBondContact O-N 3.38Å; D251-W269 HydrophobicContact CB-CH2 4.31Å; D251-W269 HydrophobicContact CB-CZ2 4.47Å; D251-W269 WeakPolarHBondContact OD1-CZ2 3.49Å
252G77.8Confident67.9Low10 Ų1086.8 Ų86.810%0.10343%0.433CS..  trans-70.7134.9-177.500000113.5C325G252-C325 PolarHBondContact O-N 2.77Å
253W90Very high70.7Confident4 Ų479.4 Ų79.42%0.01539%0.393CS..EExtended strand (participates in β ladder)trans-92.4103169.8-75.283.2000110.1H262 W269 I297 L312 V315 C325 L326 F327 L367 I369W253-H262 HydrophobicContact CH2-CB 4.44Å; W253-H262 HydrophobicContact CZ3-CB 3.92Å; W253-W269 HydrophobicContact CZ2-CE3 4.32Å; W253-W269 HydrophobicContact CZ2-CZ3 4.18Å; W253-W269 AromaticContact NE1-CZ3 3.9Å; W253-I297 HydrophobicContact CH2-CD1 4.28Å; W253-I297 HydrophobicContact CZ2-CD1 4.2Å; W253-L312 HydrophobicContact CD2-CD1 4.06Å; W253-L312 HydrophobicContact CE3-CD1 4.15Å; W253-L312 HydrophobicContact CH2-CD1 3.5Å; W253-L312 HydrophobicContact CZ2-CD1 3.38Å; W253-L312 HydrophobicContact CZ3-CD1 3.9Å; W253-V315 HydrophobicContact CH2-CG1 4.03Å; W253-C325 HydrophobicContact CD2-CB 3.66Å; W253-C325 HydrophobicContact CE3-CB 3.7Å; W253-C325 HydrophobicContact CG-CB 4.14Å; W253-C325 HydrophobicContact CH2-CB 4.23Å; W253-C325 HydrophobicContact CZ2-CB 4.19Å; W253-C325 HydrophobicContact CZ3-CB 3.98Å; W253-L326 VanDerWaalsContact CZ3-O 3.25Å; W253-L326 WeakPolarHBondContact CZ3-O 3.29Å; W253-F327 HydrophobicContact CB-CB 4.4Å; W253-F327 HydrophobicContact CE3-CB 4.15Å; W253-F327 HydrophobicContact CE3-CD2 4.42Å; W253-L367 HydrophobicContact CB-CB 4.43Å; W253-L367 PolarHBondContact O-N 3.2Å; W253-I369 HydrophobicContact CB-CB 4.41Å; W253-I369 HydrophobicContact CB-CD1 3.88Å; W253-I369 HydrophobicContact CB-CG1 4.4Å; W253-I369 HydrophobicContact CD2-CD1 4.37Å; W253-I369 HydrophobicContact CG-CB 4.08Å; W253-I369 HydrophobicContact CG-CD1 3.86Å; W253-I369 HydrophobicContact CG-CG1 4.43Å; W253-I369 HydrophobicContact CG-CG2 4.42Å
254I89.4Confident73.2Confident23 Ų2376.4 Ų76.412%0.11838%0.377CS..EExtended strand (participates in β ladder)trans-75.8131.8-179.4-60.8170.8000109.3D256 S324 C325 L326 F327 L364 Y365I254-D256 PolarHBondContact O-N 3.09Å; I254-S324 VanDerWaalsContact CD1-CB 3.41Å; I254-C325 PolarHBondContact N-O 3Å; I254-L326 HydrophobicContact CB-CD2 4.17Å; I254-L326 HydrophobicContact CG2-CD2 4.48Å; I254-F327 PolarHBondContact O-N 3.47Å; I254-L364 HydrophobicContact CD1-CD1 4.11Å; I254-L364 HydrophobicContact CG2-CB 4.34Å; I254-L364 HydrophobicContact CG2-CD1 4.39Å; I254-Y365 WeakPolarHBondContact CA-O 3.4Å
255V89.8Confident75.5Confident22 Ų2272.4 Ų72.413%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-69.8116.4171.7-177.60000109.1L329 V346 Y365 L367V255-L329 HydrophobicContact CG1-CD1 3.42Å; V255-L329 VanDerWaalsContact CG1-CD1 3.42Å; V255-L329 HydrophobicContact CG1-CD2 3.5Å; V255-L329 HydrophobicContact CG1-CG 3.47Å; V255-L329 VanDerWaalsContact CG1-CG 3.47Å; V255-V346 HydrophobicContact CG2-CG1 4.28Å; V255-V346 HydrophobicContact CG2-CG2 4.41Å; V255-Y365 WeakPolarHBondContact CG2-O 3.18Å; V255-Y365 PolarHBondContact N-O 2.9Å; V255-L367 HydrophobicContact CG2-CD1 3.9Å; V255-L367 HydrophobicContact CG2-CD2 3.59Å; V255-L367 HydrophobicContact CG2-CG 3.47Å; V255-L367 VanDerWaalsContact CG2-CG 3.47Å
256D88.2Confident77.4Confident47 Ų4770.5 Ų70.525%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-132.1116.8-179.6-171.2-1.8000111I254 G258 A259 L326 F327 L329I254-D256 PolarHBondContact O-N 3.09Å; D256-G258 VanDerWaalsContact C-N 3.34Å; D256-G258 WeakPolarHBondContact OD1-CA 3.44Å; D256-G258 PolarHBondContact OD1-N 3.38Å; D256-A259 HydrophobicContact CB-CB 3.77Å; D256-A259 PolarHBondContact OD1-N 3.05Å; D256-L326 HydrophobicContact CB-CD2 4.09Å; D256-L326 WeakPolarHBondContact OD2-CD1 3.25Å; D256-F327 PolarHBondContact N-O 3.24Å; D256-L329 PolarHBondContact O-N 3.01Å; D256-L329 VanDerWaalsContact O-N 3.14Å
257S84.9Confident79.3Confident102 Ų10265 Ų6571%0.71332%0.323SS*.SBendtrans-75.5-24174.5550000112.8
258G82.8Confident80.9Confident65 Ų6569.1 Ų69.167%0.6734%0.342SS*.SBendtrans-82.3-13.1175.500000113.5D256 F260D256-G258 VanDerWaalsContact C-N 3.34Å; D256-G258 WeakPolarHBondContact OD1-CA 3.44Å; D256-G258 PolarHBondContact OD1-N 3.38Å; G258-F260 PolarHBondContact O-N 3.3Å
259A85.2Confident82.7Confident9 Ų963.1 Ų63.17%0.07431%0.313CS..  trans-74.1121.2179.800000111.9D256 L326 T328D256-A259 HydrophobicContact CB-CB 3.77Å; D256-A259 PolarHBondContact OD1-N 3.05Å; A259-L326 HydrophobicContact CB-CB 4.21Å; A259-L326 HydrophobicContact CB-CD1 4.19Å; A259-T328 WeakPolarHBondContact O-CB 3.44Å; A259-T328 PolarHBondContact O-OG1 3.45Å
260F81.3Confident84.7Confident172 Ų17252.9 Ų52.975%0.75428%0.275SS*.SBendtrans-67.6-38.4176176.3-112.2000113.1G258G258-F260 PolarHBondContact O-N 3.3Å
261K90.1Very high86.5Confident80 Ų8050.6 Ų50.635%0.34827%0.266SS..SBendtrans-139.5166.9178.3-77.8-170.6174.5-163.80110.1I263 L316K261-I263 PolarHBondContact O-N 3.4Å; K261-L316 HydrophobicContact CB-CD1 3.87Å; K261-L316 HydrophobicContact CB-CG 3.93Å; K261-L316 HydrophobicContact CD-CD1 3.98Å; K261-L316 HydrophobicContact CD-CD2 4.01Å; K261-L316 HydrophobicContact CD-CG 3.82Å; K261-L316 HydrophobicContact CG-CD1 4.39Å; K261-L316 HydrophobicContact CG-CG 4.48Å
262H92Very high87.8Confident6 Ų651.2 Ų51.23%0.02827%0.273CS..  trans-60.6132.8165.2-59.3-67.5000108.9W253 V315 L316 L326 F327 T328W253-H262 HydrophobicContact CH2-CB 4.44Å; W253-H262 HydrophobicContact CZ3-CB 3.92Å; H262-V315 HydrophobicContact CB-CB 4.16Å; H262-V315 HydrophobicContact CB-CG1 3.94Å; H262-V315 HydrophobicContact CB-CG2 3.85Å; H262-L316 PolarHBondContact O-N 3.45Å; H262-L326 VanDerWaalsContact CA-O 3.25Å; H262-L326 WeakPolarHBondContact CA-O 3.41Å; H262-F327 AromaticContact CE1-CD2 3.44Å; H262-F327 VanDerWaalsContact CE1-CD2 3.44Å; H262-F327 WeakPolarHBondContact CE1-CD2 2.99Å; H262-F327 AromaticContact CE1-CE2 3.44Å; H262-F327 VanDerWaalsContact CE1-CE2 3.44Å; H262-F327 WeakPolarHBondContact CE1-CE2 3.18Å; H262-F327 AromaticContact CE1-CG 3.76Å; H262-F327 AromaticContact CE1-CZ 3.74Å; H262-F327 AromaticContact ND1-CD2 3.53Å; H262-F327 AromaticContact ND1-CE2 3.99Å; H262-F327 AromaticContact ND1-CG 3.77Å; H262-T328 PolarHBondContact ND1-N 3.45Å
263I91.3Very high88.5Confident8 Ų853 Ų534%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-128134.5-178-66.8162000109.6K261 V281 L316 V318 F321 C325 L326K261-I263 PolarHBondContact O-N 3.4Å; I263-V281 HydrophobicContact CD1-CG1 3.81Å; I263-L316 WeakPolarHBondContact CA-O 3.43Å; I263-L316 HydrophobicContact CG1-CB 4.26Å; I263-V318 HydrophobicContact CG2-CB 3.95Å; I263-V318 HydrophobicContact CG2-CG2 3.73Å; I263-F321 HydrophobicContact CG2-CB 4.25Å; I263-F321 HydrophobicContact CG2-CD1 3.85Å; I263-F321 HydrophobicContact CG2-CD2 3.89Å; I263-F321 HydrophobicContact CG2-CE1 4.18Å; I263-F321 HydrophobicContact CG2-CE2 4.22Å; I263-F321 HydrophobicContact CG2-CG 3.71Å; I263-F321 HydrophobicContact CG2-CZ 4.38Å; I263-C325 CarbonylContact O-C 3.51Å; I263-C325 WeakPolarHBondContact O-CA 3.26Å; I263-L326 HydrophobicContact CB-CB 4.27Å; I263-L326 HydrophobicContact CD1-CD1 4.19Å; I263-L326 PolarHBondContact N-O 2.79Å; I263-L326 PolarHBondContact O-N 2.9Å
264T90.5Very high88.5Confident0 Ų059.9 Ų59.90%031%0.307CS..EExtended strand (participates in β ladder)trans-144.6152.3171.3-174.30000112N266 F270 I297 V315 L316 Y317 V318 C325T264-N266 PolarHBondContact OG1-N 3.1Å; T264-F270 HydrophobicContact CG2-CE2 3.55Å; T264-F270 HydrophobicContact CG2-CZ 3.68Å; T264-I297 HydrophobicContact CG2-CD1 3.81Å; T264-V315 HydrophobicContact CG2-CG1 3.79Å; T264-L316 PolarHBondContact N-O 3.4Å; T264-Y317 WeakPolarHBondContact O-CA 3.48Å; T264-V318 PolarHBondContact O-N 3.15Å; T264-C325 PolarHBondContact OG1-SG 3.04Å
265R89.1Confident88.5Confident116 Ų11666.1 Ų66.144%0.43834%0.336SS..SBendtrans-91.1-2.7167.960.6173.5-86.8120.1-6.6113.3R267 Y317 R322R265-R267 PolarHBondContact O-N 3.31Å; R265-Y317 WeakPolarHBondContact O-CE2 3.24Å; R265-R322 VanDerWaalsContact CD-O 3.28Å; R265-R322 WeakPolarHBondContact CD-O 3.22Å
266N87.4Confident88.5Confident24 Ų2467.5 Ų67.513%0.12834%0.342CS..  trans-9583.4-170.8-65.8-39.9000111.4T264 H268 W269T264-N266 PolarHBondContact OG1-N 3.1Å; N266-H268 PolarHBondContact O-N 2.88Å; N266-H268 VanDerWaalsContact O-N 3.13Å; N266-W269 HydrophobicContact CB-CB 4.38Å; N266-W269 HydrophobicContact CB-CD2 3.37Å; N266-W269 HydrophobicContact CB-CE3 3.82Å; N266-W269 HydrophobicContact CB-CG 3.62Å; N266-W269 HydrophobicContact CB-CH2 4.49Å; N266-W269 HydrophobicContact CB-CZ2 4.09Å; N266-W269 HydrophobicContact CB-CZ3 4.36Å; N266-W269 WeakPolarHBondContact ND2-CH2 3.19Å; N266-W269 WeakPolarHBondContact ND2-CZ2 3.32Å; N266-W269 WeakPolarHBondContact O-CB 3.37Å; N266-W269 PolarHBondContact O-N 2.91Å
267R87.9Confident88Confident101 Ų10170.1 Ų70.138%0.38136%0.356SS..G310 helixtrans-54.3-32.3179.8177.156.7-176.181.51.4114.2R265 W269 F270 F273 Y317R265-R267 PolarHBondContact O-N 3.31Å; R267-W269 PolarHBondContact O-N 3.44Å; R267-F270 WeakPolarHBondContact O-CD2 3.21Å; R267-F273 VanDerWaalsContact NE-CG 3.31Å; R267-F273 VanDerWaalsContact NE-CZ 3.27Å; R267-Y317 HydrophobicContact CB-CD2 4.2Å; R267-Y317 HydrophobicContact CB-CE1 4.28Å; R267-Y317 HydrophobicContact CB-CE2 3.68Å
268H86.5Confident88Confident119 Ų11965.7 Ų65.755%0.55133%0.325SS*.G310 helixtrans-78.1-3.2-177.564.2-81.9000113.7N266N266-H268 PolarHBondContact O-N 2.88Å; N266-H268 VanDerWaalsContact O-N 3.13Å
269W88.2Confident87.8Confident26 Ų2665.7 Ų65.710%0.09831%0.314CS..G310 helixtrans-85.9-18.6175.3-66.91.5000113.3D251 W253 N266 R267 S271 I297 C325D251-W269 HydrophobicContact CB-CH2 4.31Å; D251-W269 HydrophobicContact CB-CZ2 4.47Å; D251-W269 WeakPolarHBondContact OD1-CZ2 3.49Å; W253-W269 HydrophobicContact CZ2-CE3 4.32Å; W253-W269 HydrophobicContact CZ2-CZ3 4.18Å; W253-W269 AromaticContact NE1-CZ3 3.9Å; N266-W269 HydrophobicContact CB-CB 4.38Å; N266-W269 HydrophobicContact CB-CD2 3.37Å; N266-W269 HydrophobicContact CB-CE3 3.82Å; N266-W269 HydrophobicContact CB-CG 3.62Å; N266-W269 HydrophobicContact CB-CH2 4.49Å; N266-W269 HydrophobicContact CB-CZ2 4.09Å; N266-W269 HydrophobicContact CB-CZ3 4.36Å; N266-W269 WeakPolarHBondContact ND2-CH2 3.19Å; N266-W269 WeakPolarHBondContact ND2-CZ2 3.32Å; N266-W269 WeakPolarHBondContact O-CB 3.37Å; N266-W269 PolarHBondContact O-N 2.91Å; R267-W269 PolarHBondContact O-N 3.44Å; W269-S271 PolarHBondContact O-N 3.1Å; W269-I297 HydrophobicContact CB-CD1 4.07Å; W269-I297 HydrophobicContact CB-CG1 4.36Å; W269-I297 HydrophobicContact CB-CG2 4Å; W269-I297 WeakPolarHBondContact O-CG2 3.36Å; W269-C325 WeakPolarHBondContact CZ3-SG 3.45Å
270F90.9Very high87.6Confident19 Ų1966.8 Ų66.88%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-72.5119.6-175.3-73.2-93.7000111.7T264 R267 T272 F273 T296 I297 V315 Y317T264-F270 HydrophobicContact CG2-CE2 3.55Å; T264-F270 HydrophobicContact CG2-CZ 3.68Å; R267-F270 WeakPolarHBondContact O-CD2 3.21Å; F270-T272 WeakPolarHBondContact CB-O 3.37Å; F270-T272 WeakPolarHBondContact CD1-O 3.25Å; F270-F273 HydrophobicContact CB-CB 4.11Å; F270-F273 HydrophobicContact CB-CD2 4.29Å; F270-F273 HydrophobicContact CD1-CD2 4.1Å; F270-F273 HydrophobicContact CD2-CD2 4.25Å; F270-F273 HydrophobicContact CE1-CD2 4.47Å; F270-F273 AromaticContact CG-CD2 3.96Å; F270-F273 HydrophobicContact CG-CD2 3.96Å; F270-T296 CarbonylContact C-O 3.59Å; F270-T296 WeakPolarHBondContact CA-O 3.49Å; F270-I297 HydrophobicContact CD1-CD1 4.46Å; F270-I297 HydrophobicContact CD1-CG1 3.98Å; F270-I297 HydrophobicContact CD2-CD1 4.41Å; F270-I297 HydrophobicContact CD2-CG1 4.47Å; F270-I297 HydrophobicContact CE1-CD1 4.29Å; F270-I297 HydrophobicContact CE1-CG1 4.21Å; F270-I297 HydrophobicContact CE2-CD1 4.24Å; F270-I297 HydrophobicContact CG-CG1 4.14Å; F270-I297 HydrophobicContact CZ-CD1 4.18Å; F270-V315 HydrophobicContact CE1-CB 3.86Å; F270-V315 HydrophobicContact CE1-CG1 4.2Å; F270-V315 WeakPolarHBondContact CE1-O 3.33Å; F270-V315 HydrophobicContact CZ-CB 4.16Å; F270-V315 HydrophobicContact CZ-CG1 3.98Å; F270-Y317 HydrophobicContact CE2-CD2 4.22Å; F270-Y317 HydrophobicContact CE2-CG 4.35Å
271S89.3Confident87.6Confident46 Ų4659.6 Ų59.632%0.32230%0.296SS..EExtended strand (participates in β ladder)trans-75.6-32.8169.154.70000111.3W269 T296 D298W269-S271 PolarHBondContact O-N 3.1Å; S271-T296 PolarHBondContact N-O 2.88Å; S271-T296 PolarHBondContact OG-O 3.39Å; S271-T296 VanDerWaalsContact OG-O 3.11Å; S271-D298 WeakPolarHBondContact CB-OD2 3.19Å; S271-D298 VanDerWaalsContact OG-CG 3.32Å; S271-D298 PolarHBondContact OG-OD1 3.18Å; S271-D298 PolarHBondContact OG-OD2 3.23Å
272T90.2Very high86.8Confident77 Ų7761.5 Ų61.547%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-124.8140.6166.967.80000109.3F270 G295 T296F270-T272 WeakPolarHBondContact CB-O 3.37Å; F270-T272 WeakPolarHBondContact CD1-O 3.25Å; T272-G295 WeakPolarHBondContact O-CA 3.34Å; T272-T296 PolarHBondContact N-O 3.29Å; T272-T296 PolarHBondContact O-N 3.3Å; T272-T296 VanDerWaalsContact OG1-CB 3.3Å; T272-T296 WeakPolarHBondContact OG1-CB 3.47Å; T272-T296 PolarHBondContact OG1-N 3.37Å; T272-T296 PolarHBondContact OG1-OG1 2.96Å
273F92.7Very high86.1Confident48 Ų4863.7 Ų63.721%0.21132%0.315CS..EExtended strand (participates in β ladder)trans-143.8125178.4-176.8-96.8000110.5R267 F270 E275 Y317R267-F273 VanDerWaalsContact NE-CG 3.31Å; R267-F273 VanDerWaalsContact NE-CZ 3.27Å; F270-F273 HydrophobicContact CB-CB 4.11Å; F270-F273 HydrophobicContact CB-CD2 4.29Å; F270-F273 HydrophobicContact CD1-CD2 4.1Å; F270-F273 HydrophobicContact CD2-CD2 4.25Å; F270-F273 HydrophobicContact CE1-CD2 4.47Å; F270-F273 AromaticContact CG-CD2 3.96Å; F270-F273 HydrophobicContact CG-CD2 3.96Å; F273-E275 HydrophobicContact CD1-CG 4.21Å; F273-E275 HydrophobicContact CE1-CG 3.46Å; F273-E275 VanDerWaalsContact CE1-CG 3.46Å; F273-E275 HydrophobicContact CZ-CG 4.27Å; F273-Y317 AromaticContact CE2-CD1 3.69Å; F273-Y317 HydrophobicContact CE2-CD1 3.69Å; F273-Y317 AromaticContact CE2-CG 3.88Å; F273-Y317 HydrophobicContact CE2-CG 3.88Å; F273-Y317 AromaticContact CZ-CD1 3.72Å; F273-Y317 HydrophobicContact CZ-CD1 3.72Å; F273-Y317 HydrophobicContact CZ-CE1 4.4Å; F273-Y317 HydrophobicContact CZ-CG 4.38Å
274K91.8Very high85Confident147 Ų14766.9 Ų66.964%0.63935%0.35SS*.EExtended strand (participates in β ladder)trans-117.2121.4173.3-179.4178.6178.5-1790108.3G293 V294K274-G293 CarbonylContact O-C 3.5Å; K274-G293 VanDerWaalsContact O-CA 3.24Å; K274-G293 WeakPolarHBondContact O-CA 3.38Å; K274-V294 HydrophobicContact CB-CG1 4.33Å; K274-V294 PolarHBondContact N-O 3.41Å; K274-V294 PolarHBondContact O-N 3.48Å
275E89.4Confident83.7Confident155 Ų15570.7 Ų70.772%0.72439%0.389SS*.EExtended strand (participates in β ladder)trans-65138.3168.6-69.5-178.5-175.800109.6F273F273-E275 HydrophobicContact CD1-CG 4.21Å; F273-E275 HydrophobicContact CE1-CG 3.46Å; F273-E275 VanDerWaalsContact CE1-CG 3.46Å; F273-E275 HydrophobicContact CZ-CG 4.27Å
276I88.3Confident82.5Confident50 Ų5071.8 Ų71.826%0.25640%0.404SS..EExtended strand (participates in β ladder)trans-125.6154.5179.160.3174.3000108.8C279 A291 V292 V294 L316I276-C279 HydrophobicContact CD1-CB 4.4Å; I276-A291 HydrophobicContact CD1-CB 4.45Å; I276-V292 PolarHBondContact N-O 3.36Å; I276-V294 HydrophobicContact CG2-CB 4.46Å; I276-V294 HydrophobicContact CG2-CG1 3.71Å; I276-L316 HydrophobicContact CD1-CD2 4.49Å
277D78.9Confident81.7Confident102 Ų10275.4 Ų75.455%0.54542%0.418SS..EExtended strand (participates in β ladder)trans-53.7135.4166.3-73-58.2000108.7K90 C279K90-D277 IonicContact NZ-OD1 2.92Å; K90-D277 PolarHBondContact NZ-OD1 3.42Å; D277-C279 PolarHBondContact O-N 2.8Å
278P83.3Confident81.2Confident10 Ų1072.6 Ų72.67%0.06541%0.411CS..EExtended strand (participates in β ladder)trans-49.7117.5-176.9-3237.7000111.8F74 Q94 Y290 A291F74-P278 HydrophobicContact CD1-CG 4.29Å; F74-P278 HydrophobicContact CE1-CG 3.38Å; F74-P278 HydrophobicContact CE2-CG 4.41Å; F74-P278 HydrophobicContact CZ-CB 4.43Å; F74-P278 HydrophobicContact CZ-CG 3.46Å; F74-P278 VanDerWaalsContact CZ-CG 3.46Å; Q94-P278 PolarHBondContact NE2-O 2.69Å; Q94-P278 PolarHBondContact OE1-O 2.62Å; P278-Y290 HydrophobicContact CB-CD1 3.83Å; P278-Y290 HydrophobicContact CB-CG 4.27Å; P278-A291 WeakPolarHBondContact CA-O 3.31Å
279C79.6Confident81.1Confident65 Ų6567.1 Ų67.144%0.43939%0.386SS..EExtended strand (participates in β ladder)trans-108.1120.7-179.4-179.50000109.1I276 D277 V281 Y290 A291I276-C279 HydrophobicContact CD1-CB 4.4Å; D277-C279 PolarHBondContact O-N 2.8Å; C279-V281 PolarHBondContact O-N 2.91Å; C279-Y290 WeakPolarHBondContact O-CA 3.5Å; C279-A291 HydrophobicContact CB-CB 4.45Å; C279-A291 PolarHBondContact N-O 2.83Å; C279-A291 PolarHBondContact O-N 3.13Å
280G80.9Confident81Confident32 Ų3266.3 Ų66.333%0.3338%0.383SS..EExtended strand (participates in β ladder)trans-61.8127.217800000112.5
281V80.6Confident80.9Confident20 Ų2065.4 Ų65.412%0.12138%0.379CS..EExtended strand (participates in β ladder)trans-118.7124.9173.5179.30000107I263 C279 V289 A291 L316 V318I263-V281 HydrophobicContact CD1-CG1 3.81Å; C279-V281 PolarHBondContact O-N 2.91Å; V281-V289 WeakPolarHBondContact CA-O 3.47Å; V281-V289 HydrophobicContact CB-CG2 4Å; V281-V289 HydrophobicContact CG1-CG2 4.38Å; V281-V289 PolarHBondContact N-O 3.29Å; V281-V289 WeakPolarHBondContact O-CG2 3.38Å; V281-V289 PolarHBondContact O-N 3.16Å; V281-V289 VanDerWaalsContact O-O 3.05Å; V281-A291 HydrophobicContact CG2-CB 3.85Å; V281-L316 HydrophobicContact CG2-CD1 4.15Å; V281-V318 HydrophobicContact CG2-CG2 4.3Å
282R74.6Confident80.9Confident121 Ų12164.3 Ų64.346%0.45737%0.37SS..EExtended strand (participates in β ladder)trans-87.8133.4176.2-65-172.5-149.9-179.211.2110.4G98 L288G98-R282 PolarHBondContact O-NH2 3.16Å; R282-L288 HydrophobicContact CG-CD1 3.87Å
283V77Confident81Confident51 Ų5160.7 Ų60.731%0.30935%0.348SS..EExtended strand (participates in β ladder)trans-109.9158.1172.7-1680000107.9G285 D286 K287 V289 F321V283-G285 PolarHBondContact O-N 3Å; V283-D286 PolarHBondContact O-N 2.69Å; V283-K287 PolarHBondContact N-O 2.9Å; V283-K287 PolarHBondContact O-N 2.87Å; V283-V289 HydrophobicContact CG2-CB 4.46Å; V283-V289 HydrophobicContact CG2-CG1 4.1Å; V283-V289 HydrophobicContact CG2-CG2 3.51Å; V283-F321 HydrophobicContact CG1-CE2 4.12Å; V283-F321 HydrophobicContact CG2-CD2 4.12Å; V283-F321 HydrophobicContact CG2-CE2 3.86Å
284G67.1Low81Confident76 Ų7659.9 Ų59.978%0.78435%0.347SS*.THydrogen-bonded Turntrans-46.5136.7179.600000113
285G63.3Low81.1Confident80 Ų8053.3 Ų53.383%0.82532%0.321SS*.THydrogen-bonded Turntrans87.523.7-174.100000114.8V283 K287V283-G285 PolarHBondContact O-N 3Å; G285-K287 PolarHBondContact O-N 3.4Å
286D64.2Low81.3Confident139 Ų13947 Ų4774%0.74329%0.293SS*.THydrogen-bonded Turntrans59.214.3-179.9-70.9-34.7000115.8V283 L288V283-D286 PolarHBondContact O-N 2.69Å; D286-L288 PolarHBondContact O-N 3.11Å
287K71.9Confident81.5Confident99 Ų9944.7 Ų44.743%0.4328%0.281SS..EExtended strand (participates in β ladder)trans-71123.8174.9-170.3-179.7179-171.10110V283 G285V283-K287 PolarHBondContact N-O 2.9Å; V283-K287 PolarHBondContact O-N 2.87Å; G285-K287 PolarHBondContact O-N 3.4Å
288L76.9Confident82.1Confident43 Ų4341.9 Ų41.923%0.22527%0.266CS..EExtended strand (participates in β ladder)trans-88.7125.2172.5-16669.4000109.9R282 D286 Y290R282-L288 HydrophobicContact CG-CD1 3.87Å; D286-L288 PolarHBondContact O-N 3.11Å; L288-Y290 HydrophobicContact CD2-CE1 4.38Å
289V84Confident82.5Confident4 Ų441.5 Ų41.52%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-120.9157.6169.7-59.90000108.9V281 V283 V318 E320V281-V289 WeakPolarHBondContact CA-O 3.47Å; V281-V289 HydrophobicContact CB-CG2 4Å; V281-V289 HydrophobicContact CG1-CG2 4.38Å; V281-V289 PolarHBondContact N-O 3.29Å; V281-V289 WeakPolarHBondContact O-CG2 3.38Å; V281-V289 PolarHBondContact O-N 3.16Å; V281-V289 VanDerWaalsContact O-O 3.05Å; V283-V289 HydrophobicContact CG2-CB 4.46Å; V283-V289 HydrophobicContact CG2-CG1 4.1Å; V283-V289 HydrophobicContact CG2-CG2 3.51Å; V289-V318 HydrophobicContact CB-CG1 3.97Å; V289-V318 HydrophobicContact CG2-CG1 3.48Å; V289-V318 VanDerWaalsContact CG2-CG1 3.48Å; V289-E320 HydrophobicContact CB-CB 4.2Å; V289-E320 HydrophobicContact CG1-CB 4.06Å
290Y85.8Confident83Confident8 Ų839.8 Ų39.83%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-108.2129.6-175.5-65.8-90.1000112.4F70 R92 P278 C279 L288F70-Y290 AromaticContact CE1-CD2 3.82Å; F70-Y290 HydrophobicContact CE1-CD2 3.82Å; F70-Y290 HydrophobicContact CE1-CE2 4.2Å; F70-Y290 HydrophobicContact CE1-CG 4.31Å; F70-Y290 HydrophobicContact CE2-CD2 4.09Å; F70-Y290 HydrophobicContact CE2-CG 4.2Å; F70-Y290 HydrophobicContact CZ-CD1 4.46Å; F70-Y290 AromaticContact CZ-CD2 3.46Å; F70-Y290 HydrophobicContact CZ-CD2 3.46Å; F70-Y290 VanDerWaalsContact CZ-CD2 3.46Å; F70-Y290 HydrophobicContact CZ-CE2 4.27Å; F70-Y290 AromaticContact CZ-CG 3.58Å; F70-Y290 HydrophobicContact CZ-CG 3.58Å; R92-Y290 PolarHBondContact NH1-OH 3.45Å; P278-Y290 HydrophobicContact CB-CD1 3.83Å; P278-Y290 HydrophobicContact CB-CG 4.27Å; C279-Y290 WeakPolarHBondContact O-CA 3.5Å; L288-Y290 HydrophobicContact CD2-CE1 4.38Å
291A88.8Confident83.5Confident0 Ų039.3 Ų39.30%024%0.239CC..EExtended strand (participates in β ladder)trans-79.4126.1162.800000109.1I276 P278 C279 V281 L316 Y317 V318I276-A291 HydrophobicContact CD1-CB 4.45Å; P278-A291 WeakPolarHBondContact CA-O 3.31Å; C279-A291 HydrophobicContact CB-CB 4.45Å; C279-A291 PolarHBondContact N-O 2.83Å; C279-A291 PolarHBondContact O-N 3.13Å; V281-A291 HydrophobicContact CG2-CB 3.85Å; A291-L316 HydrophobicContact CB-CB 4.13Å; A291-L316 HydrophobicContact CB-CD1 4.18Å; A291-L316 HydrophobicContact CB-CD2 4.24Å; A291-L316 HydrophobicContact CB-CG 4.42Å; A291-Y317 VanDerWaalsContact CA-O 3.32Å; A291-Y317 WeakPolarHBondContact CA-O 3.31Å; A291-V318 HydrophobicContact CB-CG2 3.85Å
292V90.3Very high83.9Confident24 Ų2440.1 Ų40.115%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-115.4-5.4-175.9-55.30000112.6F70 F74 I276 Y317 P319F70-V292 HydrophobicContact CE2-CG1 4.21Å; F74-V292 HydrophobicContact CZ-CG1 3.94Å; I276-V292 PolarHBondContact N-O 3.36Å; V292-Y317 HydrophobicContact CG2-CD1 3.44Å; V292-Y317 VanDerWaalsContact CG2-CD1 3.44Å; V292-Y317 HydrophobicContact CG2-CE1 3.61Å; V292-Y317 PolarHBondContact N-O 2.99Å; V292-P319 HydrophobicContact CG2-CG 3.69Å
293G91.2Very high84.5Confident0 Ų035.9 Ų35.90%023%0.226CC..EExtended strand (participates in β ladder)trans-153.3160.8174.400000112.6K274 Y317K274-G293 CarbonylContact O-C 3.5Å; K274-G293 VanDerWaalsContact O-CA 3.24Å; K274-G293 WeakPolarHBondContact O-CA 3.38Å; G293-Y317 PolarHBondContact O-N 2.77Å
294V93.7Very high84.7Confident32 Ų3234.8 Ų34.819%0.19423%0.225CC..EExtended strand (participates in β ladder)trans-136.1146.8173.167.50000109.9K274 I276 V315 L316K274-V294 HydrophobicContact CB-CG1 4.33Å; K274-V294 PolarHBondContact N-O 3.41Å; K274-V294 PolarHBondContact O-N 3.48Å; I276-V294 HydrophobicContact CG2-CB 4.46Å; I276-V294 HydrophobicContact CG2-CG1 3.71Å; V294-V315 VanDerWaalsContact CA-O 3.27Å; V294-V315 WeakPolarHBondContact CA-O 3.33Å; V294-L316 HydrophobicContact CB-CD2 4.28Å; V294-L316 HydrophobicContact CG2-CD2 4.17Å
295G93.5Very high85.6Confident8 Ų839.9 Ų39.98%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-175.7-166.3178.500000115.2T272 G314 V315T272-G295 WeakPolarHBondContact O-CA 3.34Å; G295-G314 PolarHBondContact O-N 3.44Å; G295-V315 PolarHBondContact N-O 3.04Å; G295-V315 PolarHBondContact O-N 2.97Å
296T93.5Very high86.7Confident24 Ų2439.9 Ų39.915%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-110.8142.7178.4-60.50000110.1F270 S271 T272 T311 L312 N313F270-T296 CarbonylContact C-O 3.59Å; F270-T296 WeakPolarHBondContact CA-O 3.49Å; S271-T296 PolarHBondContact N-O 2.88Å; S271-T296 PolarHBondContact OG-O 3.39Å; S271-T296 VanDerWaalsContact OG-O 3.11Å; T272-T296 PolarHBondContact N-O 3.29Å; T272-T296 PolarHBondContact O-N 3.3Å; T272-T296 VanDerWaalsContact OG1-CB 3.3Å; T272-T296 WeakPolarHBondContact OG1-CB 3.47Å; T272-T296 PolarHBondContact OG1-N 3.37Å; T272-T296 PolarHBondContact OG1-OG1 2.96Å; T296-T311 HydrophobicContact CG2-CG2 4.34Å; T296-L312 VanDerWaalsContact CA-O 3.29Å; T296-L312 WeakPolarHBondContact CA-O 3.22Å; T296-N313 WeakPolarHBondContact CG2-OD1 3.49Å; T296-N313 PolarHBondContact OG1-OD1 3.21Å
297I92.9Very high87.8Confident1 Ų136.2 Ų36.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-121.9126.1175.1-60178.6000108.3W253 T264 W269 F270 V299 T311 L312 V315W253-I297 HydrophobicContact CH2-CD1 4.28Å; W253-I297 HydrophobicContact CZ2-CD1 4.2Å; T264-I297 HydrophobicContact CG2-CD1 3.81Å; W269-I297 HydrophobicContact CB-CD1 4.07Å; W269-I297 HydrophobicContact CB-CG1 4.36Å; W269-I297 HydrophobicContact CB-CG2 4Å; W269-I297 WeakPolarHBondContact O-CG2 3.36Å; F270-I297 HydrophobicContact CD1-CD1 4.46Å; F270-I297 HydrophobicContact CD1-CG1 3.98Å; F270-I297 HydrophobicContact CD2-CD1 4.41Å; F270-I297 HydrophobicContact CD2-CG1 4.47Å; F270-I297 HydrophobicContact CE1-CD1 4.29Å; F270-I297 HydrophobicContact CE1-CG1 4.21Å; F270-I297 HydrophobicContact CE2-CD1 4.24Å; F270-I297 HydrophobicContact CG-CG1 4.14Å; F270-I297 HydrophobicContact CZ-CD1 4.18Å; I297-V299 HydrophobicContact CB-CG1 4.48Å; I297-V299 HydrophobicContact CG2-CG1 3.66Å; I297-T311 WeakPolarHBondContact O-CA 3.3Å; I297-L312 HydrophobicContact CB-CB 4.42Å; I297-L312 PolarHBondContact N-O 2.97Å; I297-L312 PolarHBondContact O-N 3.1Å; I297-V315 HydrophobicContact CD1-CB 4.13Å; I297-V315 HydrophobicContact CD1-CG1 3.83Å; I297-V315 HydrophobicContact CD1-CG2 4.05Å; I297-V315 HydrophobicContact CG1-CB 4.44Å; I297-V315 HydrophobicContact CG1-CG2 4.16Å
298D91.5Very high88.5Confident43 Ų4334.4 Ų34.423%0.2318%0.182CC..EExtended strand (participates in β ladder)trans-84.4122.8175.2-56.2-20.9000109.4S271 S372S271-D298 WeakPolarHBondContact CB-OD2 3.19Å; S271-D298 VanDerWaalsContact OG-CG 3.32Å; S271-D298 PolarHBondContact OG-OD1 3.18Å; S271-D298 PolarHBondContact OG-OD2 3.23Å; D298-S372 PolarHBondContact O-N 2.93Å
299V91.4Very high89Confident2 Ų236.9 Ų36.91%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-132.7161.9-171.8-620000111.2I297 M301 S310 L312 I369 R370I297-V299 HydrophobicContact CB-CG1 4.48Å; I297-V299 HydrophobicContact CG2-CG1 3.66Å; V299-M301 HydrophobicContact CG2-CE 3.67Å; V299-M301 HydrophobicContact CG2-CG 4.06Å; V299-S310 PolarHBondContact N-O 3.24Å; V299-S310 CarbonylContact O-C 3.54Å; V299-S310 PolarHBondContact O-N 3.06Å; V299-L312 HydrophobicContact CG1-CD1 4.09Å; V299-L312 HydrophobicContact CG1-CG 4.27Å; V299-L312 HydrophobicContact CG2-CG 4.06Å; V299-I369 HydrophobicContact CB-CG2 3.58Å; V299-I369 HydrophobicContact CG1-CG2 3.69Å; V299-I369 HydrophobicContact CG2-CG2 3.84Å; V299-R370 CarbonylContact C-O 3.48Å; V299-R370 VanDerWaalsContact CA-O 3.3Å; V299-R370 WeakPolarHBondContact CA-O 3.45Å; V299-R370 WeakPolarHBondContact CB-O 3.19Å
300E89.1Confident89.3Confident29 Ų2938.5 Ų38.514%0.13621%0.207CC..EExtended strand (participates in β ladder)trans-107.3130.1161.6-64.7177.112500108.2W307 V308 L309 I369 R370E300-W307 HydrophobicContact CB-CB 4.25Å; E300-W307 HydrophobicContact CB-CE3 3.83Å; E300-W307 VanDerWaalsContact O-CZ3 3.24Å; E300-W307 WeakPolarHBondContact O-CZ3 3.36Å; E300-V308 CarbonylContact C-O 3.59Å; E300-V308 WeakPolarHBondContact CA-O 3.33Å; E300-L309 HydrophobicContact CG-CD1 4.29Å; E300-I369 WeakPolarHBondContact O-CA 3.24Å; E300-R370 HydrophobicContact CB-CG 3.95Å; E300-R370 PolarHBondContact N-O 2.8Å; E300-R370 PolarHBondContact O-N 2.88Å; E300-R370 IonicContact OE1-NH2 3.21Å; E300-R370 IonicContact OE2-CZ 3.48Å; E300-R370 IonicContact OE2-NE 2.65Å; E300-R370 PolarHBondContact OE2-NE 3.07Å; E300-R370 IonicContact OE2-NH2 3.46Å; E300-R370 PolarHBondContact OE2-NH2 2.88Å
301M91.3Very high89.6Confident22 Ų2241.4 Ų41.411%0.10823%0.226CC..EExtended strand (participates in β ladder)trans-109.2132.2179.4-69.9-172.2-174.800109.9V299 V308 L312 L356 I369V299-M301 HydrophobicContact CG2-CE 3.67Å; V299-M301 HydrophobicContact CG2-CG 4.06Å; M301-V308 PolarHBondContact N-O 3.28Å; M301-V308 PolarHBondContact O-N 3.07Å; M301-L312 HydrophobicContact CE-CD2 3.42Å; M301-L312 VanDerWaalsContact CE-CD2 3.42Å; M301-L312 HydrophobicContact CE-CG 4.11Å; M301-L356 HydrophobicContact CB-CD1 3.92Å; M301-L356 HydrophobicContact CG-CD1 4.21Å; M301-L356 HydrophobicContact SD-CD2 4.08Å; M301-I369 HydrophobicContact CE-CD1 4.44Å; M301-I369 HydrophobicContact CG-CG1 4.32Å
302Y89.6Confident89.7Confident36 Ų3641.6 Ų41.614%0.14123%0.226CC..EExtended strand (participates in β ladder)trans-87.7116178.5-170.3-110.1000111.2L245 G304 W307 L356 V357 L368L245-Y302 HydrophobicContact CD1-CD1 4.48Å; L245-Y302 HydrophobicContact CD1-CE1 3.96Å; L245-Y302 HydrophobicContact CD1-CE2 4.3Å; Y302-G304 VanDerWaalsContact C-N 3.27Å; Y302-G304 PolarHBondContact O-N 2.98Å; Y302-G304 PolarHBondContact OH-O 2.84Å; Y302-W307 AromaticContact CD2-CD1 3.9Å; Y302-W307 HydrophobicContact CD2-CD2 4.06Å; Y302-W307 AromaticContact CD2-CE2 3.89Å; Y302-W307 HydrophobicContact CD2-CG 4.08Å; Y302-W307 HydrophobicContact CD2-CZ2 4.47Å; Y302-W307 AromaticContact CD2-NE1 3.76Å; Y302-L356 CarbonylContact O-C 3.59Å; Y302-L356 WeakPolarHBondContact O-CA 3.39Å; Y302-V357 PolarHBondContact O-N 3.03Å; Y302-L368 HydrophobicContact CD1-CD1 3.6Å; Y302-L368 HydrophobicContact CE1-CD1 4.36Å; Y302-L368 HydrophobicContact CG-CD1 4.23Å; Y302-L368 PolarHBondContact N-O 3.33Å
303N87.2Confident89.8Confident33 Ų3343.7 Ų43.718%0.17624%0.237CC..  trans-84.94.7-178.167.918000114K305 T306 V308 D355N303-K305 WeakPolarHBondContact OD1-CA 3.32Å; N303-K305 PolarHBondContact OD1-N 2.83Å; N303-T306 PolarHBondContact N-O 2.93Å; N303-T306 VanDerWaalsContact N-O 3.1Å; N303-T306 PolarHBondContact ND2-OG1 3.07Å; N303-T306 PolarHBondContact OD1-N 3.11Å; N303-T306 PolarHBondContact OD1-O 2.87Å; N303-V308 HydrophobicContact CB-CG2 4.49Å; N303-V308 WeakPolarHBondContact ND2-CG2 3.47Å; N303-D355 WeakPolarHBondContact CA-O 3.17Å
304G82.4Confident89.8Confident27 Ų2744.9 Ų44.928%0.27825%0.249SC..SBendtrans98.6-13.5-173.400000114.6Y302Y302-G304 VanDerWaalsContact C-N 3.27Å; Y302-G304 PolarHBondContact O-N 2.98Å; Y302-G304 PolarHBondContact OH-O 2.84Å
305K85.3Confident89.8Confident183 Ų18343.4 Ų43.480%0.79624%0.24SC*.SBendtrans-125-46.6177.1-61-177.5179.8-177.70112.2N303N303-K305 WeakPolarHBondContact OD1-CA 3.32Å; N303-K305 PolarHBondContact OD1-N 2.83Å
306T85.8Confident89.9Confident80 Ų8043.8 Ų43.849%0.49124%0.24SC..SBendtrans-140.3158.3-17656.60000111.3N303N303-T306 PolarHBondContact N-O 2.93Å; N303-T306 VanDerWaalsContact N-O 3.1Å; N303-T306 PolarHBondContact ND2-OG1 3.07Å; N303-T306 PolarHBondContact OD1-N 3.11Å; N303-T306 PolarHBondContact OD1-O 2.87Å
307W86.8Confident89.8Confident63 Ų6344.8 Ų44.824%0.23924%0.242CC..EExtended strand (participates in β ladder)trans-79.8128.2167.5-70.494.3000109.3E300 Y302 L368 R370E300-W307 HydrophobicContact CB-CB 4.25Å; E300-W307 HydrophobicContact CB-CE3 3.83Å; E300-W307 VanDerWaalsContact O-CZ3 3.24Å; E300-W307 WeakPolarHBondContact O-CZ3 3.36Å; Y302-W307 AromaticContact CD2-CD1 3.9Å; Y302-W307 HydrophobicContact CD2-CD2 4.06Å; Y302-W307 AromaticContact CD2-CE2 3.89Å; Y302-W307 HydrophobicContact CD2-CG 4.08Å; Y302-W307 HydrophobicContact CD2-CZ2 4.47Å; Y302-W307 AromaticContact CD2-NE1 3.76Å; W307-L368 HydrophobicContact CH2-CB 3.95Å; W307-L368 HydrophobicContact CZ3-CB 4.47Å; W307-L368 WeakPolarHBondContact CZ3-O 3.47Å; W307-R370 HydrophobicContact CD2-CG 4.43Å; W307-R370 HydrophobicContact CE3-CG 3.84Å; W307-R370 HydrophobicContact CH2-CB 4.23Å; W307-R370 HydrophobicContact CH2-CG 4.04Å; W307-R370 HydrophobicContact CZ3-CB 4.07Å; W307-R370 HydrophobicContact CZ3-CG 3.62Å
308V86.9Confident89.7Confident61 Ų6144.7 Ų44.737%0.3724%0.241SC..EExtended strand (participates in β ladder)trans-117.2129.3-178.3-1770000108.8E300 M301 N303 S310E300-V308 CarbonylContact C-O 3.59Å; E300-V308 WeakPolarHBondContact CA-O 3.33Å; M301-V308 PolarHBondContact N-O 3.28Å; M301-V308 PolarHBondContact O-N 3.07Å; N303-V308 HydrophobicContact CB-CG2 4.49Å; N303-V308 WeakPolarHBondContact ND2-CG2 3.47Å; V308-S310 PolarHBondContact O-N 3.1Å
309L88.1Confident89.4Confident95 Ų9544.8 Ų44.850%0.49724%0.244SC..EExtended strand (participates in β ladder)trans-63.1133.6175.5-169.770.1000110.1E300 S372E300-L309 HydrophobicContact CG-CD1 4.29Å; L309-S372 VanDerWaalsContact CD1-OG 3.29Å; L309-S372 WeakPolarHBondContact CD1-OG 3.27Å
310S90Very high88.9Confident38 Ų3848 Ų4827%0.26626%0.259SS..EExtended strand (participates in β ladder)trans-155172.8-174-76.10000111.1V299 V308V299-S310 PolarHBondContact N-O 3.24Å; V299-S310 CarbonylContact O-C 3.54Å; V299-S310 PolarHBondContact O-N 3.06Å; V308-S310 PolarHBondContact O-N 3.1Å
311T91.5Very high88.5Confident69 Ų6947.6 Ų47.642%0.42326%0.257SS..EExtended strand (participates in β ladder)trans-131.6136.4179.656.80000111.6T296 I297 N313T296-T311 HydrophobicContact CG2-CG2 4.34Å; I297-T311 WeakPolarHBondContact O-CA 3.3Å; T311-N313 PolarHBondContact OG1-ND2 2.95Å
312L92.4Very high87.5Confident3 Ų356.7 Ų56.72%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-96.3107.6167.8-63.6178.7000108.4W253 T296 I297 V299 M301 V315 F327 I369W253-L312 HydrophobicContact CD2-CD1 4.06Å; W253-L312 HydrophobicContact CE3-CD1 4.15Å; W253-L312 HydrophobicContact CH2-CD1 3.5Å; W253-L312 HydrophobicContact CZ2-CD1 3.38Å; W253-L312 HydrophobicContact CZ3-CD1 3.9Å; T296-L312 VanDerWaalsContact CA-O 3.29Å; T296-L312 WeakPolarHBondContact CA-O 3.22Å; I297-L312 HydrophobicContact CB-CB 4.42Å; I297-L312 PolarHBondContact N-O 2.97Å; I297-L312 PolarHBondContact O-N 3.1Å; V299-L312 HydrophobicContact CG1-CD1 4.09Å; V299-L312 HydrophobicContact CG1-CG 4.27Å; V299-L312 HydrophobicContact CG2-CG 4.06Å; M301-L312 HydrophobicContact CE-CD2 3.42Å; M301-L312 VanDerWaalsContact CE-CD2 3.42Å; M301-L312 HydrophobicContact CE-CG 4.11Å; L312-V315 HydrophobicContact CB-CG2 3.64Å; L312-V315 WeakPolarHBondContact O-CG2 3.44Å; L312-F327 HydrophobicContact CD2-CD2 4.23Å; L312-F327 HydrophobicContact CD2-CE2 3.72Å; L312-I369 HydrophobicContact CD1-CG2 4.48Å
313N92.1Very high86.3Confident68 Ų6857.9 Ų57.936%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-94.2138.4-178.8-66.9-61000112T296 T311 R335T296-N313 WeakPolarHBondContact CG2-OD1 3.49Å; T296-N313 PolarHBondContact OG1-OD1 3.21Å; T311-N313 PolarHBondContact OG1-ND2 2.95Å; N313-R335 PolarHBondContact O-NH2 2.9Å
314G91.8Very high85.8Confident26 Ų2658 Ų5827%0.26831%0.307SS..EExtended strand (participates in β ladder)trans75.531.9174.900000113.7G295G295-G314 PolarHBondContact O-N 3.44Å
315V93.5Very high86.1Confident0 Ų056.8 Ų56.80%030%0.295CS..EExtended strand (participates in β ladder)trans-71.7132.1177.8-1730000109.4W253 H262 T264 F270 V294 G295 I297 L312W253-V315 HydrophobicContact CH2-CG1 4.03Å; H262-V315 HydrophobicContact CB-CB 4.16Å; H262-V315 HydrophobicContact CB-CG1 3.94Å; H262-V315 HydrophobicContact CB-CG2 3.85Å; T264-V315 HydrophobicContact CG2-CG1 3.79Å; F270-V315 HydrophobicContact CE1-CB 3.86Å; F270-V315 HydrophobicContact CE1-CG1 4.2Å; F270-V315 WeakPolarHBondContact CE1-O 3.33Å; F270-V315 HydrophobicContact CZ-CB 4.16Å; F270-V315 HydrophobicContact CZ-CG1 3.98Å; V294-V315 VanDerWaalsContact CA-O 3.27Å; V294-V315 WeakPolarHBondContact CA-O 3.33Å; G295-V315 PolarHBondContact N-O 3.04Å; G295-V315 PolarHBondContact O-N 2.97Å; I297-V315 HydrophobicContact CD1-CB 4.13Å; I297-V315 HydrophobicContact CD1-CG1 3.83Å; I297-V315 HydrophobicContact CD1-CG2 4.05Å; I297-V315 HydrophobicContact CG1-CB 4.44Å; I297-V315 HydrophobicContact CG1-CG2 4.16Å; L312-V315 HydrophobicContact CB-CG2 3.64Å; L312-V315 WeakPolarHBondContact O-CG2 3.44Å
316L93.7Very high86.3Confident16 Ų1649.1 Ų49.18%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-84.7131.3173.8-64.5-178.7000110.4K261 H262 I263 T264 I276 V281 A291 V294 V318K261-L316 HydrophobicContact CB-CD1 3.87Å; K261-L316 HydrophobicContact CB-CG 3.93Å; K261-L316 HydrophobicContact CD-CD1 3.98Å; K261-L316 HydrophobicContact CD-CD2 4.01Å; K261-L316 HydrophobicContact CD-CG 3.82Å; K261-L316 HydrophobicContact CG-CD1 4.39Å; K261-L316 HydrophobicContact CG-CG 4.48Å; H262-L316 PolarHBondContact O-N 3.45Å; I263-L316 WeakPolarHBondContact CA-O 3.43Å; I263-L316 HydrophobicContact CG1-CB 4.26Å; T264-L316 PolarHBondContact N-O 3.4Å; I276-L316 HydrophobicContact CD1-CD2 4.49Å; V281-L316 HydrophobicContact CG2-CD1 4.15Å; A291-L316 HydrophobicContact CB-CB 4.13Å; A291-L316 HydrophobicContact CB-CD1 4.18Å; A291-L316 HydrophobicContact CB-CD2 4.24Å; A291-L316 HydrophobicContact CB-CG 4.42Å; V294-L316 HydrophobicContact CB-CD2 4.28Å; V294-L316 HydrophobicContact CG2-CD2 4.17Å; L316-V318 HydrophobicContact CB-CG2 4.34Å
317Y93Very high86.7Confident45 Ų4545.9 Ų45.918%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-90.9115169.4174.3-123.6000109.9T264 R265 R267 F270 F273 A291 V292 G293 P319T264-Y317 WeakPolarHBondContact O-CA 3.48Å; R265-Y317 WeakPolarHBondContact O-CE2 3.24Å; R267-Y317 HydrophobicContact CB-CD2 4.2Å; R267-Y317 HydrophobicContact CB-CE1 4.28Å; R267-Y317 HydrophobicContact CB-CE2 3.68Å; F270-Y317 HydrophobicContact CE2-CD2 4.22Å; F270-Y317 HydrophobicContact CE2-CG 4.35Å; F273-Y317 AromaticContact CE2-CD1 3.69Å; F273-Y317 HydrophobicContact CE2-CD1 3.69Å; F273-Y317 AromaticContact CE2-CG 3.88Å; F273-Y317 HydrophobicContact CE2-CG 3.88Å; F273-Y317 AromaticContact CZ-CD1 3.72Å; F273-Y317 HydrophobicContact CZ-CD1 3.72Å; F273-Y317 HydrophobicContact CZ-CE1 4.4Å; F273-Y317 HydrophobicContact CZ-CG 4.38Å; A291-Y317 VanDerWaalsContact CA-O 3.32Å; A291-Y317 WeakPolarHBondContact CA-O 3.31Å; V292-Y317 HydrophobicContact CG2-CD1 3.44Å; V292-Y317 VanDerWaalsContact CG2-CD1 3.44Å; V292-Y317 HydrophobicContact CG2-CE1 3.61Å; V292-Y317 PolarHBondContact N-O 2.99Å; G293-Y317 PolarHBondContact O-N 2.77Å; Y317-P319 HydrophobicContact CD1-CG 4.35Å; Y317-P319 HydrophobicContact CE1-CG 3.7Å; Y317-P319 HydrophobicContact CE2-CG 4.4Å
318V89.6Confident86.9Confident0 Ų043.1 Ų43.10%023%0.231CC..  trans-12498.9-178.5-177.90000108.1I263 T264 V281 V289 A291 L316 E320 F321I263-V318 HydrophobicContact CG2-CB 3.95Å; I263-V318 HydrophobicContact CG2-CG2 3.73Å; T264-V318 PolarHBondContact O-N 3.15Å; V281-V318 HydrophobicContact CG2-CG2 4.3Å; V289-V318 HydrophobicContact CB-CG1 3.97Å; V289-V318 HydrophobicContact CG2-CG1 3.48Å; V289-V318 VanDerWaalsContact CG2-CG1 3.48Å; A291-V318 HydrophobicContact CB-CG2 3.85Å; L316-V318 HydrophobicContact CB-CG2 4.34Å; V318-E320 VanDerWaalsContact C-N 3.3Å; V318-E320 PolarHBondContact O-N 3.28Å; V318-F321 HydrophobicContact CB-CB 3.88Å; V318-F321 HydrophobicContact CG1-CB 3.79Å; V318-F321 HydrophobicContact CG1-CD2 4.39Å; V318-F321 VanDerWaalsContact O-CB 3.25Å; V318-F321 WeakPolarHBondContact O-CB 3.43Å; V318-F321 PolarHBondContact O-N 2.87Å; V318-F321 VanDerWaalsContact O-N 3.1Å
319P85.6Confident87.1Confident44 Ų4441.5 Ų41.529%0.28622%0.22SC..THydrogen-bonded Turntrans-59.8-38-174.8-21.228.5000113.6V292 Y317 F321V292-P319 HydrophobicContact CG2-CG 3.69Å; Y317-P319 HydrophobicContact CD1-CG 4.35Å; Y317-P319 HydrophobicContact CE1-CG 3.7Å; Y317-P319 HydrophobicContact CE2-CG 4.4Å; P319-F321 PolarHBondContact O-N 3.13Å
320E81.8Confident87.1Confident70 Ų7039.1 Ų39.133%0.32722%0.219SC..THydrogen-bonded Turntrans-77.2-5.9-179.8-70.5-175.4-128.800113.8F70 V289 V318F70-E320 WeakPolarHBondContact CD2-OE1 3.39Å; V289-E320 HydrophobicContact CB-CB 4.2Å; V289-E320 HydrophobicContact CG1-CB 4.06Å; V318-E320 VanDerWaalsContact C-N 3.3Å; V318-E320 PolarHBondContact O-N 3.28Å
321F80Confident87.1Confident20 Ų2038.4 Ų38.49%0.08822%0.217CC..SBendtrans-67.1144.4179-152.8-105.8000110.1I263 V283 V318 P319 S324 L326I263-F321 HydrophobicContact CG2-CB 4.25Å; I263-F321 HydrophobicContact CG2-CD1 3.85Å; I263-F321 HydrophobicContact CG2-CD2 3.89Å; I263-F321 HydrophobicContact CG2-CE1 4.18Å; I263-F321 HydrophobicContact CG2-CE2 4.22Å; I263-F321 HydrophobicContact CG2-CG 3.71Å; I263-F321 HydrophobicContact CG2-CZ 4.38Å; V283-F321 HydrophobicContact CG1-CE2 4.12Å; V283-F321 HydrophobicContact CG2-CD2 4.12Å; V283-F321 HydrophobicContact CG2-CE2 3.86Å; V318-F321 HydrophobicContact CB-CB 3.88Å; V318-F321 HydrophobicContact CG1-CB 3.79Å; V318-F321 HydrophobicContact CG1-CD2 4.39Å; V318-F321 VanDerWaalsContact O-CB 3.25Å; V318-F321 WeakPolarHBondContact O-CB 3.43Å; V318-F321 PolarHBondContact O-N 2.87Å; V318-F321 VanDerWaalsContact O-N 3.1Å; P319-F321 PolarHBondContact O-N 3.13Å; F321-S324 VanDerWaalsContact CD1-O 3.25Å; F321-S324 WeakPolarHBondContact CD1-O 3.33Å; F321-S324 VanDerWaalsContact CE1-O 3.24Å; F321-S324 WeakPolarHBondContact CE1-O 3.29Å; F321-L326 HydrophobicContact CE1-CD1 4.13Å; F321-L326 HydrophobicContact CE1-CD2 4.45Å; F321-L326 HydrophobicContact CE1-CG 3.78Å; F321-L326 HydrophobicContact CE2-CD1 4.13Å; F321-L326 HydrophobicContact CZ-CD1 3.4Å; F321-L326 HydrophobicContact CZ-CD2 4.27Å; F321-L326 HydrophobicContact CZ-CG 3.57Å
322R70.9Confident87Confident213 Ų21335.3 Ų35.380%0.80420%0.199SC*.  trans-68.8-178.6-178-67.8-168.1-179.6-151.72.7111R265 S324R265-R322 VanDerWaalsContact CD-O 3.28Å; R265-R322 WeakPolarHBondContact CD-O 3.22Å; R322-S324 PolarHBondContact O-N 3.32Å
323S64.5Low87Confident61 Ų6138 Ų3843%0.42722%0.221SC..SBendtrans-61.62.2-170.337.30000117.3N250N250-S323 WeakPolarHBondContact CA-O 3.14Å; N250-S323 WeakPolarHBondContact OD1-CB 3.29Å
324S75.1Confident86.9Confident37 Ų3739.1 Ų39.126%0.25924%0.24SC..SBendtrans-118.7154.4-178.1-51.70000111.7I254 F321 R322I254-S324 VanDerWaalsContact CD1-CB 3.41Å; F321-S324 VanDerWaalsContact CD1-O 3.25Å; F321-S324 WeakPolarHBondContact CD1-O 3.33Å; F321-S324 VanDerWaalsContact CE1-O 3.24Å; F321-S324 WeakPolarHBondContact CE1-O 3.29Å; R322-S324 PolarHBondContact O-N 3.32Å
325C88.8Confident86.8Confident1 Ų143.3 Ų43.31%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-97.3144.2173-60.20000109.9G252 W253 I254 I263 T264 W269G252-C325 PolarHBondContact O-N 2.77Å; W253-C325 HydrophobicContact CD2-CB 3.66Å; W253-C325 HydrophobicContact CE3-CB 3.7Å; W253-C325 HydrophobicContact CG-CB 4.14Å; W253-C325 HydrophobicContact CH2-CB 4.23Å; W253-C325 HydrophobicContact CZ2-CB 4.19Å; W253-C325 HydrophobicContact CZ3-CB 3.98Å; I254-C325 PolarHBondContact N-O 3Å; I263-C325 CarbonylContact O-C 3.51Å; I263-C325 WeakPolarHBondContact O-CA 3.26Å; T264-C325 PolarHBondContact OG1-SG 3.04Å; W269-C325 WeakPolarHBondContact CZ3-SG 3.45Å
326L91Very high86.6Confident22 Ų2245.2 Ų45.212%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-103.1132.9175.3-62.9-176.9000110.9W253 I254 D256 A259 H262 I263 F321W253-L326 VanDerWaalsContact CZ3-O 3.25Å; W253-L326 WeakPolarHBondContact CZ3-O 3.29Å; I254-L326 HydrophobicContact CB-CD2 4.17Å; I254-L326 HydrophobicContact CG2-CD2 4.48Å; D256-L326 HydrophobicContact CB-CD2 4.09Å; D256-L326 WeakPolarHBondContact OD2-CD1 3.25Å; A259-L326 HydrophobicContact CB-CB 4.21Å; A259-L326 HydrophobicContact CB-CD1 4.19Å; H262-L326 VanDerWaalsContact CA-O 3.25Å; H262-L326 WeakPolarHBondContact CA-O 3.41Å; I263-L326 HydrophobicContact CB-CB 4.27Å; I263-L326 HydrophobicContact CD1-CD1 4.19Å; I263-L326 PolarHBondContact N-O 2.79Å; I263-L326 PolarHBondContact O-N 2.9Å; F321-L326 HydrophobicContact CE1-CD1 4.13Å; F321-L326 HydrophobicContact CE1-CD2 4.45Å; F321-L326 HydrophobicContact CE1-CG 3.78Å; F321-L326 HydrophobicContact CE2-CD1 4.13Å; F321-L326 HydrophobicContact CZ-CD1 3.4Å; F321-L326 HydrophobicContact CZ-CD2 4.27Å; F321-L326 HydrophobicContact CZ-CG 3.57Å
327F92.7Very high86.6Confident12 Ų1247.7 Ų47.75%0.05328%0.276CS..EExtended strand (participates in β ladder)trans-104.8116.8171.2-171.8-81.8000109.8W253 I254 D256 H262 L312 L329 A332 L348 L356 L367 I369W253-F327 HydrophobicContact CB-CB 4.4Å; W253-F327 HydrophobicContact CE3-CB 4.15Å; W253-F327 HydrophobicContact CE3-CD2 4.42Å; I254-F327 PolarHBondContact O-N 3.47Å; D256-F327 PolarHBondContact N-O 3.24Å; H262-F327 AromaticContact CE1-CD2 3.44Å; H262-F327 VanDerWaalsContact CE1-CD2 3.44Å; H262-F327 WeakPolarHBondContact CE1-CD2 2.99Å; H262-F327 AromaticContact CE1-CE2 3.44Å; H262-F327 VanDerWaalsContact CE1-CE2 3.44Å; H262-F327 WeakPolarHBondContact CE1-CE2 3.18Å; H262-F327 AromaticContact CE1-CG 3.76Å; H262-F327 AromaticContact CE1-CZ 3.74Å; H262-F327 AromaticContact ND1-CD2 3.53Å; H262-F327 AromaticContact ND1-CE2 3.99Å; H262-F327 AromaticContact ND1-CG 3.77Å; L312-F327 HydrophobicContact CD2-CD2 4.23Å; L312-F327 HydrophobicContact CD2-CE2 3.72Å; F327-L329 PolarHBondContact O-N 3.45Å; F327-A332 HydrophobicContact CE1-CB 3.78Å; F327-A332 HydrophobicContact CZ-CB 4.26Å; F327-L348 HydrophobicContact CD1-CD1 4.39Å; F327-L348 HydrophobicContact CE1-CD1 3.58Å; F327-L348 HydrophobicContact CZ-CD1 3.94Å; F327-L356 HydrophobicContact CE2-CD2 4.38Å; F327-L356 HydrophobicContact CZ-CD2 4.45Å; F327-L367 HydrophobicContact CB-CD1 3.75Å; F327-L367 HydrophobicContact CD1-CD1 3.46Å; F327-L367 VanDerWaalsContact CD1-CD1 3.46Å; F327-L367 HydrophobicContact CD2-CD1 3.7Å; F327-L367 HydrophobicContact CE1-CD1 3.89Å; F327-L367 HydrophobicContact CE2-CD1 4.1Å; F327-L367 HydrophobicContact CG-CD1 3.35Å; F327-L367 HydrophobicContact CZ-CD1 4.19Å; F327-I369 HydrophobicContact CD2-CD1 3.68Å; F327-I369 HydrophobicContact CE2-CD1 3.88Å
328T92.3Very high86.6Confident4 Ų453 Ų533%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-72.2120.1179.81750000111.6A259 H262 G330 G331 A332A259-T328 WeakPolarHBondContact O-CB 3.44Å; A259-T328 PolarHBondContact O-OG1 3.45Å; H262-T328 PolarHBondContact ND1-N 3.45Å; T328-G330 PolarHBondContact OG1-N 2.84Å; T328-G331 PolarHBondContact OG1-N 2.81Å; T328-A332 PolarHBondContact O-N 2.69Å
329L90.9Very high86.6Confident28 Ų2856.1 Ų56.115%0.14732%0.316CS..Hα-helixtrans-71.2-34.5169.6-73.5176.2000112.3V255 D256 F327 A332 A333 L339 L348V255-L329 HydrophobicContact CG1-CD1 3.42Å; V255-L329 VanDerWaalsContact CG1-CD1 3.42Å; V255-L329 HydrophobicContact CG1-CD2 3.5Å; V255-L329 HydrophobicContact CG1-CG 3.47Å; V255-L329 VanDerWaalsContact CG1-CG 3.47Å; D256-L329 PolarHBondContact O-N 3.01Å; D256-L329 VanDerWaalsContact O-N 3.14Å; F327-L329 PolarHBondContact O-N 3.45Å; L329-A332 PolarHBondContact O-N 3.08Å; L329-A333 WeakPolarHBondContact O-CB 3.47Å; L329-A333 PolarHBondContact O-N 3.41Å; L329-L339 HydrophobicContact CD1-CD2 3.65Å; L329-L339 HydrophobicContact CD2-CD1 3.8Å; L329-L339 HydrophobicContact CD2-CD2 3.98Å; L329-L339 HydrophobicContact CD2-CG 4.35Å; L329-L339 HydrophobicContact CG-CD2 4.47Å; L329-L348 HydrophobicContact CD2-CD2 4.14Å
330G87.9Confident86.9Confident45 Ų4559.5 Ų59.546%0.46433%0.326SS..Hα-helixtrans-61.6-44.4176.900000112T328 A332 A333 A334T328-G330 PolarHBondContact OG1-N 2.84Å; G330-A332 VanDerWaalsContact C-N 3.34Å; G330-A332 PolarHBondContact O-N 3.03Å; G330-A333 PolarHBondContact O-N 3.48Å; G330-A334 WeakPolarHBondContact O-CB 3.47Å; G330-A334 PolarHBondContact O-N 2.66Å
331G89.3Confident87.3Confident23 Ų2360.4 Ų60.424%0.23733%0.333CS..Hα-helixtrans-65.3-34.9175.200000113.5T328T328-G331 PolarHBondContact OG1-N 2.81Å
332A91.1Very high87.5Confident3 Ų365.2 Ų65.23%0.02536%0.355CS..Hα-helixtrans-70.3-45.6175.100000112F327 T328 L329 G330 A334 R335 G336 Y337 L348F327-A332 HydrophobicContact CE1-CB 3.78Å; F327-A332 HydrophobicContact CZ-CB 4.26Å; T328-A332 PolarHBondContact O-N 2.69Å; L329-A332 PolarHBondContact O-N 3.08Å; G330-A332 VanDerWaalsContact C-N 3.34Å; G330-A332 PolarHBondContact O-N 3.03Å; A332-A334 VanDerWaalsContact C-N 3.31Å; A332-A334 PolarHBondContact O-N 3.19Å; A332-R335 PolarHBondContact O-N 2.87Å; A332-G336 PolarHBondContact O-N 3.21Å; A332-Y337 HydrophobicContact CB-CD2 4.43Å; A332-Y337 WeakPolarHBondContact O-CB 3.49Å; A332-Y337 WeakPolarHBondContact O-CD2 3.25Å; A332-Y337 PolarHBondContact O-N 3Å; A332-Y337 VanDerWaalsContact O-N 3.16Å; A332-L348 HydrophobicContact CB-CD2 4.4Å
333A90.5Very high88.3Confident59 Ų5957.7 Ų57.749%0.48834%0.344SS..Hα-helixtrans-58.8-42177.600000111.9L329 G330 R335 G336 Y337L329-A333 WeakPolarHBondContact O-CB 3.47Å; L329-A333 PolarHBondContact O-N 3.41Å; G330-A333 PolarHBondContact O-N 3.48Å; A333-R335 PolarHBondContact O-N 3.3Å; A333-R335 VanDerWaalsContact O-N 3.16Å; A333-G336 PolarHBondContact O-N 3.47Å; A333-Y337 WeakPolarHBondContact CA-O 3.39Å
334A89.9Confident89.3Confident92 Ų9258.2 Ų58.276%0.7634%0.34SS*.Hα-helixtrans-60.7-23.3175.200000113.8G330 A332G330-A334 WeakPolarHBondContact O-CB 3.47Å; G330-A334 PolarHBondContact O-N 2.66Å; A332-A334 VanDerWaalsContact C-N 3.31Å; A332-A334 PolarHBondContact O-N 3.19Å
335R89.9Confident89.9Confident114 Ų11461.7 Ų61.743%0.4335%0.347SS..THydrogen-bonded Turntrans-91.86175.5-66.5178.1-177.8157.35.8113.5N313 A332 A333 Y337 K350N313-R335 PolarHBondContact O-NH2 2.9Å; A332-R335 PolarHBondContact O-N 2.87Å; A333-R335 PolarHBondContact O-N 3.3Å; A333-R335 VanDerWaalsContact O-N 3.16Å; R335-Y337 HydrophobicContact CB-CD2 4.12Å; R335-Y337 HydrophobicContact CB-CE2 4.34Å; R335-K350 PolarHBondContact O-NZ 3.45Å
336G91.1Very high90Very high40 Ų4061.7 Ų61.741%0.41235%0.347SS..THydrogen-bonded Turntrans91.88.6178.300000115A332 A333A332-G336 PolarHBondContact O-N 3.21Å; A333-G336 PolarHBondContact O-N 3.47Å
337Y92.8Very high90Very high69 Ų6961 Ų6127%0.27135%0.345SS..PPolyproline II helixtrans-77.2133.9176.4-72.6-80.3000111.7A332 A333 R335 L348 K350 D355A332-Y337 HydrophobicContact CB-CD2 4.43Å; A332-Y337 WeakPolarHBondContact O-CB 3.49Å; A332-Y337 WeakPolarHBondContact O-CD2 3.25Å; A332-Y337 PolarHBondContact O-N 3Å; A332-Y337 VanDerWaalsContact O-N 3.16Å; A333-Y337 WeakPolarHBondContact CA-O 3.39Å; R335-Y337 HydrophobicContact CB-CD2 4.12Å; R335-Y337 HydrophobicContact CB-CE2 4.34Å; Y337-L348 HydrophobicContact CD1-CB 4.21Å; Y337-K350 HydrophobicContact CD1-CB 3.77Å; Y337-K350 HydrophobicContact CE1-CB 3.69Å; Y337-K350 HydrophobicContact CE1-CD 4.48Å; Y337-K350 HydrophobicContact CE2-CD 4.45Å; Y337-K350 HydrophobicContact CG-CB 4.43Å; Y337-D355 HydrophobicContact CE1-CB 3.86Å; Y337-D355 VanDerWaalsContact CE1-OD2 3.28Å; Y337-D355 WeakPolarHBondContact CE1-OD2 3.44Å; Y337-D355 PolarHBondContact OH-OD2 3.47Å
338K92Very high90Very high156 Ų15660.7 Ų60.768%0.67834%0.343SS*.EExtended strand (participates in β ladder)trans-102129.8170.3-63.9-177.4-178.8179.60109.2A349K338-A349 PolarHBondContact N-O 3.4Å; K338-A349 PolarHBondContact O-N 3.39Å
339L91.2Very high90Very high66 Ų6660.8 Ų60.835%0.34635%0.345SS..EExtended strand (participates in β ladder)trans-83.4132.1173.4-173.569.8000109.8L329 I341 V346 L348L329-L339 HydrophobicContact CD1-CD2 3.65Å; L329-L339 HydrophobicContact CD2-CD1 3.8Å; L329-L339 HydrophobicContact CD2-CD2 3.98Å; L329-L339 HydrophobicContact CD2-CG 4.35Å; L329-L339 HydrophobicContact CG-CD2 4.47Å; L339-I341 HydrophobicContact CD2-CD1 4.04Å; L339-I341 HydrophobicContact CD2-CG1 4.24Å; L339-I341 HydrophobicContact CG-CG1 4.2Å; L339-V346 HydrophobicContact CD1-CG2 3.37Å; L339-V346 HydrophobicContact CG-CG2 4.38Å; L339-L348 HydrophobicContact CB-CD2 4.31Å; L339-L348 HydrophobicContact CD1-CD2 3.84Å; L339-L348 HydrophobicContact CD1-CG 4.17Å
340K91.3Very high89.9Confident114 Ų11463 Ų6350%0.49635%0.353SS..EExtended strand (participates in β ladder)trans-124.5124.9168.4-65.2-177.8179.1-1770108.5V346 C347K340-V346 CarbonylContact O-C 3.5Å; K340-C347 HydrophobicContact CB-CB 4.31Å; K340-C347 PolarHBondContact N-O 3.24Å; K340-C347 PolarHBondContact O-N 2.87Å
341I89.7Confident90Very high90 Ų9068.1 Ų68.146%0.46237%0.37SS..EExtended strand (participates in β ladder)trans-111.6121.3174.4-62.3174.5000107L339 V346 Y365L339-I341 HydrophobicContact CD2-CD1 4.04Å; L339-I341 HydrophobicContact CD2-CG1 4.24Å; L339-I341 HydrophobicContact CG-CG1 4.2Å; I341-V346 HydrophobicContact CG1-CG2 4.09Å; I341-Y365 HydrophobicContact CD1-CE2 4.28Å; I341-Y365 HydrophobicContact CG2-CE1 3.93Å; I341-Y365 HydrophobicContact CG2-CE2 4.14Å; I341-Y365 WeakPolarHBondContact CG2-OH 3.4Å
342E85.7Confident89.6Confident120 Ų12070.9 Ų70.956%0.56140%0.398SS*.EExtended strand (participates in β ladder)trans-125.881.5-178.1-69.2174.2-175.200107.8E344 R345E342-E344 PolarHBondContact O-N 3.39Å; E342-E344 VanDerWaalsContact O-N 3.14Å; E342-R345 PolarHBondContact N-O 3.47Å; E342-R345 PolarHBondContact O-N 3.15Å
343G85.7Confident89.4Confident55 Ų5577.2 Ų77.257%0.56743%0.425SS*.THydrogen-bonded Turntrans62.3-113.1-177.200000112.4R345 Y365G343-R345 VanDerWaalsContact C-N 3.29Å; G343-Y365 WeakPolarHBondContact O-CE1 3.13Å; G343-Y365 PolarHBondContact O-OH 2.81Å
344E86.4Confident89.2Confident72 Ų7276.9 Ų76.934%0.33642%0.417SS..THydrogen-bonded Turntrans-82.1-4.6178.9-61.2-165.6140.100113.6I239 T241 E342 Y359 K360I239-E344 VanDerWaalsContact O-CD 3.25Å; T241-E344 WeakPolarHBondContact CB-OE2 3.27Å; T241-E344 HydrophobicContact CG2-CB 4.48Å; T241-E344 PolarHBondContact N-OE2 2.78Å; T241-E344 WeakPolarHBondContact OG1-CB 3.32Å; T241-E344 PolarHBondContact OG1-OE2 2.98Å; E342-E344 PolarHBondContact O-N 3.39Å; E342-E344 VanDerWaalsContact O-N 3.14Å; E344-Y359 CarbonylContact O-C 3.53Å; E344-Y359 WeakPolarHBondContact O-CA 3.41Å; E344-K360 HydrophobicContact CB-CB 4.18Å; E344-K360 PolarHBondContact O-N 3.39Å
345R86.9Confident89Confident111 Ų11174.6 Ų74.642%0.41939%0.392SS..EExtended strand (participates in β ladder)trans-105.4138.9179.6-178.1-179.8-97.1-165.8-4.8110.8E342 G343 V357E342-R345 PolarHBondContact N-O 3.47Å; E342-R345 PolarHBondContact O-N 3.15Å; G343-R345 VanDerWaalsContact C-N 3.29Å; R345-V357 HydrophobicContact CG-CG1 4.04Å
346V90.9Very high89.1Confident0 Ų069.3 Ų69.30%037%0.373CS..EExtended strand (participates in β ladder)trans-118.7138.3167.362.60000109.7V255 L339 K340 I341 V357 G358 Y365 L367V255-V346 HydrophobicContact CG2-CG1 4.28Å; V255-V346 HydrophobicContact CG2-CG2 4.41Å; L339-V346 HydrophobicContact CD1-CG2 3.37Å; L339-V346 HydrophobicContact CG-CG2 4.38Å; K340-V346 CarbonylContact O-C 3.5Å; I341-V346 HydrophobicContact CG1-CG2 4.09Å; V346-V357 CarbonylContact O-C 3.55Å; V346-V357 WeakPolarHBondContact O-CA 3.23Å; V346-G358 VanDerWaalsContact CG1-CA 3.5Å; V346-G358 PolarHBondContact N-O 2.65Å; V346-G358 VanDerWaalsContact N-O 3.13Å; V346-G358 PolarHBondContact O-N 3.46Å; V346-Y365 HydrophobicContact CB-CD1 3.74Å; V346-Y365 HydrophobicContact CB-CE1 4.41Å; V346-Y365 HydrophobicContact CB-CG 4.2Å; V346-Y365 HydrophobicContact CG1-CD1 3.95Å; V346-Y365 HydrophobicContact CG1-CG 4.32Å; V346-L367 HydrophobicContact CG1-CD2 4Å
347C92.3Very high89.1Confident9 Ų967.6 Ų67.66%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-132.8133.1-179.3-65.20000110.2K340 T354 L356K340-C347 HydrophobicContact CB-CB 4.31Å; K340-C347 PolarHBondContact N-O 3.24Å; K340-C347 PolarHBondContact O-N 2.87Å; C347-T354 HydrophobicContact CB-CG2 4.12Å; C347-L356 CarbonylContact C-O 3.44Å; C347-L356 WeakPolarHBondContact CA-O 3.48Å
348L92.3Very high89Confident4 Ų464.3 Ų64.32%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-104.9119166.1-74.3163.1000108.2F327 L329 A332 Y337 L339 D355 L356 L367F327-L348 HydrophobicContact CD1-CD1 4.39Å; F327-L348 HydrophobicContact CE1-CD1 3.58Å; F327-L348 HydrophobicContact CZ-CD1 3.94Å; L329-L348 HydrophobicContact CD2-CD2 4.14Å; A332-L348 HydrophobicContact CB-CD2 4.4Å; Y337-L348 HydrophobicContact CD1-CB 4.21Å; L339-L348 HydrophobicContact CB-CD2 4.31Å; L339-L348 HydrophobicContact CD1-CD2 3.84Å; L339-L348 HydrophobicContact CD1-CG 4.17Å; L348-D355 PolarHBondContact O-N 3.22Å; L348-L356 HydrophobicContact CB-CB 4.31Å; L348-L356 HydrophobicContact CD1-CD2 4.07Å; L348-L356 PolarHBondContact N-O 2.76Å; L348-L356 PolarHBondContact O-N 3Å; L348-L367 HydrophobicContact CD1-CD1 4.03Å; L348-L367 HydrophobicContact CD1-CD2 4.17Å
349A91.7Very high88.8Confident7 Ų758.3 Ų58.36%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-124.8142.6-177.100000111.2K338 K353K338-A349 PolarHBondContact N-O 3.4Å; K338-A349 PolarHBondContact O-N 3.39Å; A349-K353 CarbonylContact C-O 3.6Å; A349-K353 WeakPolarHBondContact CA-O 3.36Å; A349-K353 WeakPolarHBondContact CB-O 2.9Å
350K89.9Confident88.6Confident73 Ų7358.7 Ų58.732%0.31731%0.314SS..EExtended strand (participates in β ladder)trans-130.8135.1174.8179.2172.3176171.10108.4R335 Y337 G352 K353R335-K350 PolarHBondContact O-NZ 3.45Å; Y337-K350 HydrophobicContact CD1-CB 3.77Å; Y337-K350 HydrophobicContact CE1-CB 3.69Å; Y337-K350 HydrophobicContact CE1-CD 4.48Å; Y337-K350 HydrophobicContact CE2-CD 4.45Å; Y337-K350 HydrophobicContact CG-CB 4.43Å; K350-G352 PolarHBondContact O-N 3.32Å; K350-G352 VanDerWaalsContact O-N 3.1Å; K350-K353 PolarHBondContact N-O 3.39Å; K350-K353 PolarHBondContact O-N 2.75Å
351D88.7Confident87.9Confident153 Ų15356.9 Ų56.982%0.81831%0.309SS*.THydrogen-bonded Turntrans51.937.5179.2-51.8-36.4000114K353D351-K353 PolarHBondContact O-N 2.9Å
352G81Confident87.4Confident81 Ų8157.2 Ų57.284%0.83532%0.32SS*.THydrogen-bonded Turntrans79.9-7.4-179.200000115.2K350K350-G352 PolarHBondContact O-N 3.32Å; K350-G352 VanDerWaalsContact O-N 3.1Å
353K87.2Confident87.3Confident137 Ų13758.1 Ų58.160%0.59633%0.328SS*.EExtended strand (participates in β ladder)trans-98.1128.8177.8-174.2-179.2173.5-173.40111A349 K350 D351 D355A349-K353 CarbonylContact C-O 3.6Å; A349-K353 WeakPolarHBondContact CA-O 3.36Å; A349-K353 WeakPolarHBondContact CB-O 2.9Å; K350-K353 PolarHBondContact N-O 3.39Å; K350-K353 PolarHBondContact O-N 2.75Å; D351-K353 PolarHBondContact O-N 2.9Å; K353-D355 PolarHBondContact O-N 2.9Å
354T86.9Confident87.3Confident52 Ų5260.1 Ų60.132%0.31933%0.325SS..EExtended strand (participates in β ladder)trans-77.7119.1171.5-56.40000109.2C347 V357C347-T354 HydrophobicContact CB-CG2 4.12Å; T354-V357 HydrophobicContact CG2-CG2 3.68Å
355D85.9Confident87.4Confident43 Ų4359.1 Ų59.123%0.2332%0.319CS..EExtended strand (participates in β ladder)trans-101.2-27.5180-75.9-11000112N303 Y337 L348 K353N303-D355 WeakPolarHBondContact CA-O 3.17Å; Y337-D355 HydrophobicContact CE1-CB 3.86Å; Y337-D355 VanDerWaalsContact CE1-OD2 3.28Å; Y337-D355 WeakPolarHBondContact CE1-OD2 3.44Å; Y337-D355 PolarHBondContact OH-OD2 3.47Å; L348-D355 PolarHBondContact O-N 3.22Å; K353-D355 PolarHBondContact O-N 2.9Å
356L91.6Very high87.6Confident4 Ų454.3 Ų54.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-145.9131.3-176.7178.259.8000111.6M301 Y302 F327 C347 L348 L367 L368 I369M301-L356 HydrophobicContact CB-CD1 3.92Å; M301-L356 HydrophobicContact CG-CD1 4.21Å; M301-L356 HydrophobicContact SD-CD2 4.08Å; Y302-L356 CarbonylContact O-C 3.59Å; Y302-L356 WeakPolarHBondContact O-CA 3.39Å; F327-L356 HydrophobicContact CE2-CD2 4.38Å; F327-L356 HydrophobicContact CZ-CD2 4.45Å; C347-L356 CarbonylContact C-O 3.44Å; C347-L356 WeakPolarHBondContact CA-O 3.48Å; L348-L356 HydrophobicContact CB-CB 4.31Å; L348-L356 HydrophobicContact CD1-CD2 4.07Å; L348-L356 PolarHBondContact N-O 2.76Å; L348-L356 PolarHBondContact O-N 3Å; L356-L367 HydrophobicContact CD1-CB 4.35Å; L356-L367 HydrophobicContact CD2-CB 4.05Å; L356-L367 HydrophobicContact CD2-CD1 3.76Å; L356-L367 HydrophobicContact CD2-CD2 4.13Å; L356-L367 HydrophobicContact CD2-CG 4.18Å; L356-L367 HydrophobicContact CG-CB 4.3Å; L356-L367 HydrophobicContact CG-CD2 4.1Å; L356-L368 WeakPolarHBondContact CD1-O 3.42Å; L356-I369 HydrophobicContact CD1-CG1 3.86Å; L356-I369 HydrophobicContact CD2-CD1 3.82Å; L356-I369 HydrophobicContact CD2-CG1 3.9Å
357V91.1Very high87.6Confident3 Ų354.3 Ų54.32%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-115.6150.4177.6-178.30000109.5Y302 R345 V346 T354 L368Y302-V357 PolarHBondContact O-N 3.03Å; R345-V357 HydrophobicContact CG-CG1 4.04Å; V346-V357 CarbonylContact O-C 3.55Å; V346-V357 WeakPolarHBondContact O-CA 3.23Å; T354-V357 HydrophobicContact CG2-CG2 3.68Å; V357-L368 WeakPolarHBondContact O-CB 3.4Å; V357-L368 PolarHBondContact O-N 3.37Å
358G90.2Very high87.5Confident1 Ų153.9 Ų53.91%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-140.6175.9171.300000111.4V346 T366V346-G358 VanDerWaalsContact CG1-CA 3.5Å; V346-G358 PolarHBondContact N-O 2.65Å; V346-G358 VanDerWaalsContact N-O 3.13Å; V346-G358 PolarHBondContact O-N 3.46Å; G358-T366 CarbonylContact C-O 3.5Å; G358-T366 WeakPolarHBondContact CA-O 3.48Å
359Y88Confident87.3Confident29 Ų2953.8 Ų53.811%0.11430%0.298CS..EExtended strand (participates in β ladder)trans-126.9157.317962.6-85.2000110E344 D361 T366 L368E344-Y359 CarbonylContact O-C 3.53Å; E344-Y359 WeakPolarHBondContact O-CA 3.41Å; Y359-D361 HydrophobicContact CD2-CB 4.28Å; Y359-D361 HydrophobicContact CE2-CB 3.85Å; Y359-T366 HydrophobicContact CE1-CG2 4.47Å; Y359-T366 PolarHBondContact N-O 3.02Å; Y359-T366 PolarHBondContact O-N 2.99Å; Y359-L368 HydrophobicContact CD1-CD2 3.83Å; Y359-L368 HydrophobicContact CD1-CG 4.12Å; Y359-L368 HydrophobicContact CE1-CD2 3.63Å; Y359-L368 HydrophobicContact CE1-CG 4.33Å
360K87.5Confident87Confident75 Ų7558.3 Ų58.333%0.32631%0.314SS..EExtended strand (participates in β ladder)trans-80.1120.7170.8-162.2-173.4-174.4-1500109E344 S362 D363 L364 Y365E344-K360 HydrophobicContact CB-CB 4.18Å; E344-K360 PolarHBondContact O-N 3.39Å; K360-S362 WeakPolarHBondContact CD-O 3.26Å; K360-S362 WeakPolarHBondContact CE-O 3.41Å; K360-S362 WeakPolarHBondContact CG-O 3.5Å; K360-S362 PolarHBondContact NZ-O 2.77Å; K360-D363 IonicContact NZ-OD1 3.89Å; K360-L364 CarbonylContact C-O 3.49Å; K360-L364 WeakPolarHBondContact CA-O 3.42Å; K360-Y365 HydrophobicContact CB-CD1 4Å; K360-Y365 HydrophobicContact CB-CE1 3.8Å; K360-Y365 HydrophobicContact CD-CE1 4.41Å; K360-Y365 HydrophobicContact CG-CD1 4.28Å; K360-Y365 HydrophobicContact CG-CE1 4.01Å
361D77Confident86.6Confident75 Ų7561.3 Ų61.340%0.40132%0.323SS..EExtended strand (participates in β ladder)trans-109.3106.1169.3-169.25.5000108.6Y359 D363 L364Y359-D361 HydrophobicContact CD2-CB 4.28Å; Y359-D361 HydrophobicContact CE2-CB 3.85Å; D361-D363 PolarHBondContact O-N 2.77Å; D361-D363 VanDerWaalsContact O-N 3.11Å; D361-L364 PolarHBondContact N-O 2.83Å; D361-L364 PolarHBondContact O-N 3.37Å; D361-L364 VanDerWaalsContact O-N 3.11Å
362S79.4Confident85.9Confident98 Ų9854.5 Ų54.569%0.68529%0.288SS*.THydrogen-bonded Turntrans57.2-109.8-169.7-49.80000111.6K360K360-S362 WeakPolarHBondContact CD-O 3.26Å; K360-S362 WeakPolarHBondContact CE-O 3.41Å; K360-S362 WeakPolarHBondContact CG-O 3.5Å; K360-S362 PolarHBondContact NZ-O 2.77Å
363D82.8Confident84.8Confident138 Ų13854.9 Ų54.974%0.73828%0.278SS*.THydrogen-bonded Turntrans-105.11.7-179.3-68.2-39.8000113.7K360 D361K360-D363 IonicContact NZ-OD1 3.89Å; D361-D363 PolarHBondContact O-N 2.77Å; D361-D363 VanDerWaalsContact O-N 3.11Å
364L85.4Confident83.2Confident97 Ų9755 Ų5551%0.50828%0.28SS..EExtended strand (participates in β ladder)trans-114.6149.4-178.7-62176.6000111I254 K360 D361I254-L364 HydrophobicContact CD1-CD1 4.11Å; I254-L364 HydrophobicContact CG2-CB 4.34Å; I254-L364 HydrophobicContact CG2-CD1 4.39Å; K360-L364 CarbonylContact C-O 3.49Å; K360-L364 WeakPolarHBondContact CA-O 3.42Å; D361-L364 PolarHBondContact N-O 2.83Å; D361-L364 PolarHBondContact O-N 3.37Å; D361-L364 VanDerWaalsContact O-N 3.11Å
365Y89.3Confident81Confident51 Ų5156.5 Ų56.520%0.229%0.291CS..EExtended strand (participates in β ladder)trans-95.9127.2172.7-70.7-82.4000109.7I254 V255 I341 G343 V346 K360I254-Y365 WeakPolarHBondContact CA-O 3.4Å; V255-Y365 WeakPolarHBondContact CG2-O 3.18Å; V255-Y365 PolarHBondContact N-O 2.9Å; I341-Y365 HydrophobicContact CD1-CE2 4.28Å; I341-Y365 HydrophobicContact CG2-CE1 3.93Å; I341-Y365 HydrophobicContact CG2-CE2 4.14Å; I341-Y365 WeakPolarHBondContact CG2-OH 3.4Å; G343-Y365 WeakPolarHBondContact O-CE1 3.13Å; G343-Y365 PolarHBondContact O-OH 2.81Å; V346-Y365 HydrophobicContact CB-CD1 3.74Å; V346-Y365 HydrophobicContact CB-CE1 4.41Å; V346-Y365 HydrophobicContact CB-CG 4.2Å; V346-Y365 HydrophobicContact CG1-CD1 3.95Å; V346-Y365 HydrophobicContact CG1-CG 4.32Å; K360-Y365 HydrophobicContact CB-CD1 4Å; K360-Y365 HydrophobicContact CB-CE1 3.8Å; K360-Y365 HydrophobicContact CD-CE1 4.41Å; K360-Y365 HydrophobicContact CG-CD1 4.28Å; K360-Y365 HydrophobicContact CG-CE1 4.01Å
366T89.8Confident78.9Confident10 Ų1059.7 Ų59.76%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-115126.2179.7-59.80000109.6G358 Y359G358-T366 CarbonylContact C-O 3.5Å; G358-T366 WeakPolarHBondContact CA-O 3.48Å; Y359-T366 HydrophobicContact CE1-CG2 4.47Å; Y359-T366 PolarHBondContact N-O 3.02Å; Y359-T366 PolarHBondContact O-N 2.99Å
367L91.5Very high76.2Confident0 Ų067.4 Ų67.40%035%0.348CS..EExtended strand (participates in β ladder)trans-80.6140177.2-60.6169.5000110.4Q247 W253 V255 F327 V346 L348 L356 I369Q247-L367 PolarHBondContact OE1-O 3.1Å; W253-L367 HydrophobicContact CB-CB 4.43Å; W253-L367 PolarHBondContact O-N 3.2Å; V255-L367 HydrophobicContact CG2-CD1 3.9Å; V255-L367 HydrophobicContact CG2-CD2 3.59Å; V255-L367 HydrophobicContact CG2-CG 3.47Å; V255-L367 VanDerWaalsContact CG2-CG 3.47Å; F327-L367 HydrophobicContact CB-CD1 3.75Å; F327-L367 HydrophobicContact CD1-CD1 3.46Å; F327-L367 VanDerWaalsContact CD1-CD1 3.46Å; F327-L367 HydrophobicContact CD2-CD1 3.7Å; F327-L367 HydrophobicContact CE1-CD1 3.89Å; F327-L367 HydrophobicContact CE2-CD1 4.1Å; F327-L367 HydrophobicContact CG-CD1 3.35Å; F327-L367 HydrophobicContact CZ-CD1 4.19Å; V346-L367 HydrophobicContact CG1-CD2 4Å; L348-L367 HydrophobicContact CD1-CD1 4.03Å; L348-L367 HydrophobicContact CD1-CD2 4.17Å; L356-L367 HydrophobicContact CD1-CB 4.35Å; L356-L367 HydrophobicContact CD2-CB 4.05Å; L356-L367 HydrophobicContact CD2-CD1 3.76Å; L356-L367 HydrophobicContact CD2-CD2 4.13Å; L356-L367 HydrophobicContact CD2-CG 4.18Å; L356-L367 HydrophobicContact CG-CB 4.3Å; L356-L367 HydrophobicContact CG-CD2 4.1Å; L367-I369 VanDerWaalsContact C-N 3.29Å; L367-I369 HydrophobicContact CB-CD1 4.02Å; L367-I369 HydrophobicContact CB-CG1 3.89Å; L367-I369 HydrophobicContact CD1-CD1 4.23Å; L367-I369 PolarHBondContact O-N 3.29Å
368L89.5Confident73.9Confident1 Ų172.3 Ų72.31%0.00538%0.382CS..  trans-78.581.5175-67.9168.1000109.6L243 L245 Q247 Y302 W307 L356 V357 Y359L243-L368 HydrophobicContact CD2-CD1 4.15Å; L245-L368 HydrophobicContact CB-CD2 4.47Å; Q247-L368 HydrophobicContact CG-CD2 4.3Å; Y302-L368 HydrophobicContact CD1-CD1 3.6Å; Y302-L368 HydrophobicContact CE1-CD1 4.36Å; Y302-L368 HydrophobicContact CG-CD1 4.23Å; Y302-L368 PolarHBondContact N-O 3.33Å; W307-L368 HydrophobicContact CH2-CB 3.95Å; W307-L368 HydrophobicContact CZ3-CB 4.47Å; W307-L368 WeakPolarHBondContact CZ3-O 3.47Å; L356-L368 WeakPolarHBondContact CD1-O 3.42Å; V357-L368 WeakPolarHBondContact O-CB 3.4Å; V357-L368 PolarHBondContact O-N 3.37Å; Y359-L368 HydrophobicContact CD1-CD2 3.83Å; Y359-L368 HydrophobicContact CD1-CG 4.12Å; Y359-L368 HydrophobicContact CE1-CD2 3.63Å; Y359-L368 HydrophobicContact CE1-CG 4.33Å
369I89.9Confident71.5Confident1 Ų175 Ų751%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-122.5119.8176.5-54.9179.8000108Q247 W253 V299 E300 M301 L312 F327 L356 L367Q247-I369 PolarHBondContact NE2-O 2.99Å; Q247-I369 PolarHBondContact OE1-O 3.11Å; W253-I369 HydrophobicContact CB-CB 4.41Å; W253-I369 HydrophobicContact CB-CD1 3.88Å; W253-I369 HydrophobicContact CB-CG1 4.4Å; W253-I369 HydrophobicContact CD2-CD1 4.37Å; W253-I369 HydrophobicContact CG-CB 4.08Å; W253-I369 HydrophobicContact CG-CD1 3.86Å; W253-I369 HydrophobicContact CG-CG1 4.43Å; W253-I369 HydrophobicContact CG-CG2 4.42Å; V299-I369 HydrophobicContact CB-CG2 3.58Å; V299-I369 HydrophobicContact CG1-CG2 3.69Å; V299-I369 HydrophobicContact CG2-CG2 3.84Å; E300-I369 WeakPolarHBondContact O-CA 3.24Å; M301-I369 HydrophobicContact CE-CD1 4.44Å; M301-I369 HydrophobicContact CG-CG1 4.32Å; L312-I369 HydrophobicContact CD1-CG2 4.48Å; F327-I369 HydrophobicContact CD2-CD1 3.68Å; F327-I369 HydrophobicContact CE2-CD1 3.88Å; L356-I369 HydrophobicContact CD1-CG1 3.86Å; L356-I369 HydrophobicContact CD2-CD1 3.82Å; L356-I369 HydrophobicContact CD2-CG1 3.9Å; L367-I369 VanDerWaalsContact C-N 3.29Å; L367-I369 HydrophobicContact CB-CD1 4.02Å; L367-I369 HydrophobicContact CB-CG1 3.89Å; L367-I369 HydrophobicContact CD1-CD1 4.23Å; L367-I369 PolarHBondContact O-N 3.29Å
370R85.5Confident69Low102 Ų10277.6 Ų77.639%0.38542%0.419SS..EExtended strand (participates in β ladder)trans-118.6159.3176.171.5-175.4-171.8-176.81.4110.8V299 E300 W307V299-R370 CarbonylContact C-O 3.48Å; V299-R370 VanDerWaalsContact CA-O 3.3Å; V299-R370 WeakPolarHBondContact CA-O 3.45Å; V299-R370 WeakPolarHBondContact CB-O 3.19Å; E300-R370 HydrophobicContact CB-CG 3.95Å; E300-R370 PolarHBondContact N-O 2.8Å; E300-R370 PolarHBondContact O-N 2.88Å; E300-R370 IonicContact OE1-NH2 3.21Å; E300-R370 IonicContact OE2-CZ 3.48Å; E300-R370 IonicContact OE2-NE 2.65Å; E300-R370 PolarHBondContact OE2-NE 3.07Å; E300-R370 IonicContact OE2-NH2 3.46Å; E300-R370 PolarHBondContact OE2-NH2 2.88Å; W307-R370 HydrophobicContact CD2-CG 4.43Å; W307-R370 HydrophobicContact CE3-CG 3.84Å; W307-R370 HydrophobicContact CH2-CB 4.23Å; W307-R370 HydrophobicContact CH2-CG 4.04Å; W307-R370 HydrophobicContact CZ3-CB 4.07Å; W307-R370 HydrophobicContact CZ3-CG 3.62Å
371R81.5Confident66.5Low136 Ų13677.2 Ų77.251%0.51343%0.429SS..EExtended strand (participates in β ladder)trans-64136.4175.5-169.2178.467.282.30.4109.9S373R371-S373 PolarHBondContact O-N 3.49Å
372S73Confident64.7Low10 Ų1078.7 Ų78.77%0.0744%0.441CS..  trans-61.1133.2173.7-179.80000110.6D298 L309 Q374D298-S372 PolarHBondContact O-N 2.93Å; L309-S372 VanDerWaalsContact CD1-OG 3.29Å; L309-S372 WeakPolarHBondContact CD1-OG 3.27Å; S372-Q374 VanDerWaalsContact C-N 3.27Å; S372-Q374 PolarHBondContact OG-N 2.76Å
373S57.7Low62.7Low89 Ų8976.6 Ų76.662%0.62243%0.429SS*.  trans-80.1-8.7176.8-42.80000112.5R371 P375R371-S373 PolarHBondContact O-N 3.49Å; S373-P375 WeakPolarHBondContact O-CD 3.29Å
374Q53.5Low60.8Low140 Ų14072.4 Ų72.465%0.65441%0.414SS*.  trans-82.4126.6-173.3-70.6-169.3-9.200112S372 L376S372-Q374 VanDerWaalsContact C-N 3.27Å; S372-Q374 PolarHBondContact OG-N 2.76Å; Q374-L376 PolarHBondContact O-N 3Å
375P41.9Very low59Low83 Ų8368.7 Ų68.754%0.53940%0.397SS..  trans-83.3116.5179.229.9-30.2000113S373 L377 M380S373-P375 WeakPolarHBondContact O-CD 3.29Å; P375-L377 PolarHBondContact O-N 2.85Å; P375-M380 WeakPolarHBondContact CA-SD 3.32Å; P375-M380 HydrophobicContact CB-CE 4.23Å; P375-M380 HydrophobicContact CB-CG 4.48Å; P375-M380 HydrophobicContact CB-SD 3.21Å; P375-M380 WeakPolarHBondContact CB-SD 3.18Å
376L40.1Very low57.2Low110 Ų11069.1 Ų69.158%0.57641%0.411SS*.  trans-72.7105.3163.6-81.7167.2000108.8Q374 S378 A379 M380Q374-L376 PolarHBondContact O-N 3Å; L376-S378 PolarHBondContact O-N 2.83Å; L376-A379 PolarHBondContact O-N 3.31Å; L376-M380 PolarHBondContact O-N 3Å
377L35Very low55.7Low167 Ų16772 Ų7287%0.87443%0.429SS*.THydrogen-bonded Turntrans-58.5-2-165.4-92.1149.9000118P375P375-L377 PolarHBondContact O-N 2.85Å
378S43Very low54.6Low105 Ų10573.2 Ų73.273%0.73444%0.439SS*.THydrogen-bonded Turntrans-121.8-29.5178.567.90000115L376L376-S378 PolarHBondContact O-N 2.83Å
379A40.8Very low53.8Low58 Ų5874.5 Ų74.548%0.47945%0.446SS..Hα-helixtrans-85.9-25.9174.200000112.4L376 A381 V382 A383L376-A379 PolarHBondContact O-N 3.31Å; A379-A381 PolarHBondContact O-N 3.23Å; A379-V382 PolarHBondContact O-N 3.47Å; A379-A383 WeakPolarHBondContact O-CB 3.43Å; A379-A383 PolarHBondContact O-N 2.92Å
380M35.3Very low53Low84 Ų8478.3 Ų78.341%0.41446%0.463SS..Hα-helixtrans-71.5-24.2180-78.3-160.673.600114.4P375 L376 A384P375-M380 WeakPolarHBondContact CA-SD 3.32Å; P375-M380 HydrophobicContact CB-CE 4.23Å; P375-M380 HydrophobicContact CB-CG 4.48Å; P375-M380 HydrophobicContact CB-SD 3.21Å; P375-M380 WeakPolarHBondContact CB-SD 3.18Å; L376-M380 PolarHBondContact O-N 3Å; M380-A384 WeakPolarHBondContact O-CA 3.43Å; M380-A384 WeakPolarHBondContact O-CB 3.32Å; M380-A384 PolarHBondContact O-N 3.13Å
381A34.3Very low52.4Low66 Ų6676.4 Ų76.455%0.54546%0.46SS..Hα-helixtrans-65.3-4217400000111.3A379 A385A379-A381 PolarHBondContact O-N 3.23Å; A381-A385 VanDerWaalsContact O-CB 3.29Å; A381-A385 WeakPolarHBondContact O-CB 3.43Å; A381-A385 PolarHBondContact O-N 3.34Å
382V38.8Very low52.2Low107 Ų10771.9 Ų71.965%0.64844%0.443SS*.Hα-helixtrans-75.5-41178.6-175.30000111.2A379 A385 A386A379-V382 PolarHBondContact O-N 3.47Å; V382-A385 PolarHBondContact O-N 3.45Å; V382-A386 WeakPolarHBondContact O-CB 3.47Å; V382-A386 PolarHBondContact O-N 2.98Å
383A39.2Very low52.5Low54 Ų5473 Ų7345%0.44645%0.448SS..Hα-helixtrans-68.1-37.5176.100000112.3A379 A386 T387A379-A383 WeakPolarHBondContact O-CB 3.43Å; A379-A383 PolarHBondContact O-N 2.92Å; A383-A386 PolarHBondContact O-N 3.11Å; A383-T387 WeakPolarHBondContact O-CB 3.02Å; A383-T387 PolarHBondContact O-N 2.79Å; A383-T387 PolarHBondContact O-OG1 3.18Å
384A41.9Very low53.3Low50 Ų5071.9 Ų71.941%0.41343%0.432SS..Hα-helixtrans-67.5-38.3173.200000111.4M380 T387 A388M380-A384 WeakPolarHBondContact O-CA 3.43Å; M380-A384 WeakPolarHBondContact O-CB 3.32Å; M380-A384 PolarHBondContact O-N 3.13Å; A384-T387 VanDerWaalsContact CA-OG1 3.31Å; A384-T387 WeakPolarHBondContact CA-OG1 3.5Å; A384-T387 PolarHBondContact O-OG1 3.21Å; A384-A388 WeakPolarHBondContact O-CA 2.98Å; A384-A388 WeakPolarHBondContact O-CB 3.42Å; A384-A388 PolarHBondContact O-N 2.84Å
385A48.1Very low54.3Low19 Ų1972.5 Ų72.516%0.15743%0.429CS..Hα-helixtrans-66.4-41.6173.700000112A381 V382 A388 L389A381-A385 VanDerWaalsContact O-CB 3.29Å; A381-A385 WeakPolarHBondContact O-CB 3.43Å; A381-A385 PolarHBondContact O-N 3.34Å; V382-A385 PolarHBondContact O-N 3.45Å; A385-A388 PolarHBondContact O-N 3.09Å; A385-L389 WeakPolarHBondContact O-CB 3.3Å; A385-L389 PolarHBondContact O-N 2.92Å
386A52Low55.8Low59 Ų5973 Ų7349%0.48842%0.42SS..Hα-helixtrans-68.8-41.1176.500000112.5V382 A383 L389 E390V382-A386 WeakPolarHBondContact O-CB 3.47Å; V382-A386 PolarHBondContact O-N 2.98Å; A383-A386 PolarHBondContact O-N 3.11Å; A386-L389 PolarHBondContact O-N 2.98Å; A386-E390 WeakPolarHBondContact O-CB 3.46Å; A386-E390 PolarHBondContact O-N 3.3Å
387T58.1Low57.3Low72 Ų7269 Ų6944%0.44240%0.4SS..Hα-helixtrans-69.5-3317236.90000112A383 A384 L391A383-T387 WeakPolarHBondContact O-CB 3.02Å; A383-T387 PolarHBondContact O-N 2.79Å; A383-T387 PolarHBondContact O-OG1 3.18Å; A384-T387 VanDerWaalsContact CA-OG1 3.31Å; A384-T387 WeakPolarHBondContact CA-OG1 3.5Å; A384-T387 PolarHBondContact O-OG1 3.21Å; T387-L391 WeakPolarHBondContact O-CB 3.26Å; T387-L391 PolarHBondContact O-N 3.1Å
388A68.1Low59.1Low25 Ų2564.1 Ų64.121%0.20737%0.373CS..Hα-helixtrans-64.4-46.317200000110.3A384 A385 L391 W392A384-A388 WeakPolarHBondContact O-CA 2.98Å; A384-A388 WeakPolarHBondContact O-CB 3.42Å; A384-A388 PolarHBondContact O-N 2.84Å; A385-A388 PolarHBondContact O-N 3.09Å; A388-L391 CarbonylContact O-C 3.55Å; A388-L391 PolarHBondContact O-N 3.31Å; A388-W392 WeakPolarHBondContact O-CB 3.34Å; A388-W392 PolarHBondContact O-N 3.44Å
389L73.1Confident60.6Low28 Ų2860.2 Ų60.215%0.14734%0.344CS..Hα-helixtrans-63.1-45.2178.6-175.564.6000112.2A385 A386 W392 H393 I401 I404 I418A385-L389 WeakPolarHBondContact O-CB 3.3Å; A385-L389 PolarHBondContact O-N 2.92Å; A386-L389 PolarHBondContact O-N 2.98Å; L389-W392 PolarHBondContact O-N 2.88Å; L389-H393 WeakPolarHBondContact O-CB 3.45Å; L389-H393 PolarHBondContact O-N 3.04Å; L389-I401 HydrophobicContact CD1-CG2 4.19Å; L389-I401 HydrophobicContact CD2-CG2 3.73Å; L389-I401 HydrophobicContact CG-CG2 4.2Å; L389-I404 HydrophobicContact CD1-CG2 4.17Å; L389-I418 HydrophobicContact CD1-CD1 3.62Å; L389-I418 HydrophobicContact CD1-CG1 4.34Å; L389-I418 HydrophobicContact CD1-CG2 4.24Å
390E71.8Confident62.4Low81 Ų8160 Ų6038%0.37934%0.339SS..Hα-helixtrans-64.5-41.8175.1-178.456.6-147.900111.3A386 W392 H393 Q394A386-E390 WeakPolarHBondContact O-CB 3.46Å; A386-E390 PolarHBondContact O-N 3.3Å; E390-W392 VanDerWaalsContact C-N 3.32Å; E390-W392 PolarHBondContact O-N 2.96Å; E390-H393 WeakPolarHBondContact O-CB 3.47Å; E390-H393 PolarHBondContact O-N 2.87Å; E390-H393 IonicContact OE1-CD2 3.77Å; E390-Q394 VanDerWaalsContact O-CG 3.3Å; E390-Q394 WeakPolarHBondContact O-CG 3.45Å; E390-Q394 PolarHBondContact O-N 3.45Å; E390-Q394 PolarHBondContact OE1-NE2 2.99Å
391L74.3Confident64.5Low61 Ų6159.2 Ų59.232%0.31934%0.336SS..Hα-helixtrans-63.7-38.9174.7-177.865000111.4T387 A388 Q394 R395T387-L391 WeakPolarHBondContact O-CB 3.26Å; T387-L391 PolarHBondContact O-N 3.1Å; A388-L391 CarbonylContact O-C 3.55Å; A388-L391 PolarHBondContact O-N 3.31Å; L391-Q394 PolarHBondContact O-N 2.92Å; L391-R395 HydrophobicContact CD1-CG 4.36Å; L391-R395 HydrophobicContact CG-CG 4.4Å; L391-R395 WeakPolarHBondContact O-CB 3.38Å; L391-R395 WeakPolarHBondContact O-CG 3.45Å; L391-R395 PolarHBondContact O-N 2.86Å
392W75.5Confident66.6Low41 Ų4161.4 Ų61.416%0.15534%0.338CS..Hα-helixtrans-68.1-40.3173.8-79.4117.3000111.5A388 L389 E390 Q394 R395 R396 I404 G415 L416A388-W392 WeakPolarHBondContact O-CB 3.34Å; A388-W392 PolarHBondContact O-N 3.44Å; L389-W392 PolarHBondContact O-N 2.88Å; E390-W392 VanDerWaalsContact C-N 3.32Å; E390-W392 PolarHBondContact O-N 2.96Å; W392-Q394 VanDerWaalsContact C-N 3.34Å; W392-Q394 PolarHBondContact O-N 3.09Å; W392-R395 PolarHBondContact O-N 3.34Å; W392-R396 HydrophobicContact CE3-CG 4.23Å; W392-R396 WeakPolarHBondContact O-CA 3.41Å; W392-R396 WeakPolarHBondContact O-CB 3.49Å; W392-R396 WeakPolarHBondContact O-CG 3.36Å; W392-R396 PolarHBondContact O-N 2.71Å; W392-I404 HydrophobicContact CB-CG2 4.1Å; W392-G415 WeakPolarHBondContact CZ2-O 3.24Å; W392-L416 HydrophobicContact CB-CD1 4.28Å; W392-L416 HydrophobicContact CD2-CD1 3.3Å; W392-L416 HydrophobicContact CE3-CD1 3.84Å; W392-L416 HydrophobicContact CG-CD1 3.49Å; W392-L416 VanDerWaalsContact CG-CD1 3.49Å; W392-L416 HydrophobicContact CH2-CD1 4.32Å; W392-L416 HydrophobicContact CZ2-CB 4.41Å; W392-L416 HydrophobicContact CZ2-CD1 3.88Å; W392-L416 HydrophobicContact CZ3-CD1 4.31Å
393H79.7Confident68.6Low35 Ų3561.6 Ų61.616%0.16233%0.331CS..Hα-helixtrans-56-49172.4176.469.2000111L389 E390 R396 T397 H398 V399 I404L389-H393 WeakPolarHBondContact O-CB 3.45Å; L389-H393 PolarHBondContact O-N 3.04Å; E390-H393 WeakPolarHBondContact O-CB 3.47Å; E390-H393 PolarHBondContact O-N 2.87Å; E390-H393 IonicContact OE1-CD2 3.77Å; H393-R396 CarbonylContact O-C 3.57Å; H393-T397 PolarHBondContact O-N 2.93Å; H393-H398 AromaticContact CD2-ND1 3.48Å; H393-H398 PolarHBondContact CD2-ND1 3.46Å; H393-H398 WeakPolarHBondContact CE1-CA 3.44Å; H393-H398 AromaticContact CE1-ND1 3.84Å; H393-H398 PolarHBondContact CE1-O 2.77Å; H393-H398 AromaticContact NE2-CG 3.75Å; H393-H398 AromaticContact NE2-ND1 3.01Å; H393-H398 PolarHBondContact NE2-ND1 3.03Å; H393-H398 VanDerWaalsContact O-CA 3.29Å; H393-H398 WeakPolarHBondContact O-CA 3.5Å; H393-H398 PolarHBondContact O-N 2.95Å; H393-V399 PolarHBondContact CE1-O 2.87Å; H393-V399 PolarHBondContact ND1-O 3.35Å; H393-I404 VanDerWaalsContact CA-CD1 3.41Å; H393-I404 HydrophobicContact CB-CD1 4Å
394Q75.6Confident70.6Confident64 Ų6459.1 Ų59.130%0.29931%0.31SS..Hα-helixtrans-66-47.7176.3-67.6172.810.600112.5E390 L391 W392 R396 T397E390-Q394 VanDerWaalsContact O-CG 3.3Å; E390-Q394 WeakPolarHBondContact O-CG 3.45Å; E390-Q394 PolarHBondContact O-N 3.45Å; E390-Q394 PolarHBondContact OE1-NE2 2.99Å; L391-Q394 PolarHBondContact O-N 2.92Å; W392-Q394 VanDerWaalsContact C-N 3.34Å; W392-Q394 PolarHBondContact O-N 3.09Å; Q394-R396 VanDerWaalsContact C-N 3.29Å; Q394-R396 PolarHBondContact O-N 2.91Å; Q394-T397 PolarHBondContact O-N 2.82Å
395R74.4Confident72.4Confident153 Ų15359.4 Ų59.458%0.57730%0.302SS*.Hα-helixtrans-63.5-33.4179.4-77.5176174.3178.7-1.8112.7L391 W392 T397L391-R395 HydrophobicContact CD1-CG 4.36Å; L391-R395 HydrophobicContact CG-CG 4.4Å; L391-R395 WeakPolarHBondContact O-CB 3.38Å; L391-R395 WeakPolarHBondContact O-CG 3.45Å; L391-R395 PolarHBondContact O-N 2.86Å; W392-R395 PolarHBondContact O-N 3.34Å; R395-T397 VanDerWaalsContact C-N 3.28Å; R395-T397 PolarHBondContact O-N 3.2Å
396R73.6Confident74Confident95 Ų9559.4 Ų59.436%0.35830%0.301SS..THydrogen-bonded Turntrans-93.126.2177.7-66.9-80.9173.7163.6-8.6111.9W392 H393 Q394 V399 I404W392-R396 HydrophobicContact CE3-CG 4.23Å; W392-R396 WeakPolarHBondContact O-CA 3.41Å; W392-R396 WeakPolarHBondContact O-CB 3.49Å; W392-R396 WeakPolarHBondContact O-CG 3.36Å; W392-R396 PolarHBondContact O-N 2.71Å; H393-R396 CarbonylContact O-C 3.57Å; Q394-R396 VanDerWaalsContact C-N 3.29Å; Q394-R396 PolarHBondContact O-N 2.91Å; R396-V399 HydrophobicContact CB-CB 4.39Å; R396-V399 WeakPolarHBondContact O-CG2 3.32Å; R396-V399 PolarHBondContact O-N 2.95Å; R396-I404 HydrophobicContact CB-CD1 4.41Å
397T70.5Confident75.3Confident26 Ų2659.4 Ų59.416%0.1629%0.292CS..THydrogen-bonded Turntrans63.542.817067.90000114.4H393 Q394 R395 V399 K551 M555H393-T397 PolarHBondContact O-N 2.93Å; Q394-T397 PolarHBondContact O-N 2.82Å; R395-T397 VanDerWaalsContact C-N 3.28Å; R395-T397 PolarHBondContact O-N 3.2Å; T397-V399 PolarHBondContact O-N 2.94Å; T397-K551 HydrophobicContact CG2-CB 4.3Å; T397-K551 WeakPolarHBondContact OG1-CD 3.35Å; T397-K551 WeakPolarHBondContact OG1-CE 3.2Å; T397-K551 WeakPolarHBondContact OG1-CG 3.5Å; T397-M555 HydrophobicContact CG2-CE 3.82Å; T397-M555 HydrophobicContact CG2-CG 3.67Å; T397-M555 HydrophobicContact CG2-SD 3.36Å; T397-M555 WeakPolarHBondContact CG2-SD 3.21Å
398H73.1Confident76.3Confident64 Ų6457.7 Ų57.730%0.29628%0.28SS..THydrogen-bonded Turntrans58.530.5-179.4-60.2-82.6000114.5H393 S400 V558H393-H398 AromaticContact CD2-ND1 3.48Å; H393-H398 PolarHBondContact CD2-ND1 3.46Å; H393-H398 WeakPolarHBondContact CE1-CA 3.44Å; H393-H398 AromaticContact CE1-ND1 3.84Å; H393-H398 PolarHBondContact CE1-O 2.77Å; H393-H398 AromaticContact NE2-CG 3.75Å; H393-H398 AromaticContact NE2-ND1 3.01Å; H393-H398 PolarHBondContact NE2-ND1 3.03Å; H393-H398 VanDerWaalsContact O-CA 3.29Å; H393-H398 WeakPolarHBondContact O-CA 3.5Å; H393-H398 PolarHBondContact O-N 2.95Å; H398-S400 PolarHBondContact O-N 3.1Å; H398-V558 WeakPolarHBondContact NE2-CG2 3.32Å
399V75Confident76.7Confident23 Ų2360 Ų6014%0.13929%0.287CS..  trans-58.3139.1169.6167.30000109.1H393 R396 T397 I401 K403 I404H393-V399 PolarHBondContact CE1-O 2.87Å; H393-V399 PolarHBondContact ND1-O 3.35Å; R396-V399 HydrophobicContact CB-CB 4.39Å; R396-V399 WeakPolarHBondContact O-CG2 3.32Å; R396-V399 PolarHBondContact O-N 2.95Å; T397-V399 PolarHBondContact O-N 2.94Å; V399-I401 PolarHBondContact O-N 3.02Å; V399-K403 HydrophobicContact CG1-CB 3.61Å; V399-K403 HydrophobicContact CG1-CD 4.21Å; V399-I404 HydrophobicContact CB-CD1 4.44Å; V399-I404 HydrophobicContact CB-CG1 4.3Å; V399-I404 HydrophobicContact CG1-CG1 3.98Å
400S79.2Confident77Confident53 Ų5362.5 Ų62.537%0.37130%0.298SS..  trans-49.7137.1-17957.90000111.1H398 D402 K403 I404H398-S400 PolarHBondContact O-N 3.1Å; S400-D402 PolarHBondContact O-N 3.38Å; S400-D402 VanDerWaalsContact O-N 3.17Å; S400-K403 WeakPolarHBondContact O-CB 3.41Å; S400-K403 PolarHBondContact O-N 2.87Å; S400-K403 WeakPolarHBondContact OG-CB 3.41Å; S400-K403 WeakPolarHBondContact OG-CD 3.28Å; S400-K403 VanDerWaalsContact OG-CG 3.24Å; S400-K403 WeakPolarHBondContact OG-CG 3.39Å; S400-I404 PolarHBondContact O-N 3.37Å
401I78.5Confident77.1Confident67 Ų6765.4 Ų65.434%0.34432%0.316SS..Hα-helixtrans-52.7-40.9-179.7-72.4171.9000110.6L389 V399 K403 I404 K405L389-I401 HydrophobicContact CD1-CG2 4.19Å; L389-I401 HydrophobicContact CD2-CG2 3.73Å; L389-I401 HydrophobicContact CG-CG2 4.2Å; V399-I401 PolarHBondContact O-N 3.02Å; I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 2.81Å; I401-I404 PolarHBondContact O-N 3.43Å; I401-I404 VanDerWaalsContact O-N 3.13Å; I401-K405 HydrophobicContact CG2-CD 4.33Å; I401-K405 WeakPolarHBondContact O-CG 3.41Å; I401-K405 PolarHBondContact O-N 2.86Å
402D78.8Confident77.2Confident112 Ų11269 Ų6960%0.59933%0.329SS*.Hα-helixtrans-60.6-36.1177.8-57-31.5000113.1S400 K405 A406S400-D402 PolarHBondContact O-N 3.38Å; S400-D402 VanDerWaalsContact O-N 3.17Å; D402-K405 PolarHBondContact O-N 3.17Å; D402-A406 WeakPolarHBondContact O-CB 3.04Å; D402-A406 PolarHBondContact O-N 2.95Å
403K80.1Confident77Confident112 Ų11268 Ų6849%0.48733%0.328SS..Hα-helixtrans-72.4-35.1176.6-80.4-178.9-178.1178.90111.9V399 S400 I401 K405 A406 M407V399-K403 HydrophobicContact CG1-CB 3.61Å; V399-K403 HydrophobicContact CG1-CD 4.21Å; S400-K403 WeakPolarHBondContact O-CB 3.41Å; S400-K403 PolarHBondContact O-N 2.87Å; S400-K403 WeakPolarHBondContact OG-CB 3.41Å; S400-K403 WeakPolarHBondContact OG-CD 3.28Å; S400-K403 VanDerWaalsContact OG-CG 3.24Å; S400-K403 WeakPolarHBondContact OG-CG 3.39Å; I401-K403 VanDerWaalsContact C-N 3.3Å; I401-K403 PolarHBondContact O-N 2.81Å; K403-K405 VanDerWaalsContact C-N 3.33Å; K403-A406 PolarHBondContact O-N 2.88Å; K403-M407 WeakPolarHBondContact O-CB 3.49Å; K403-M407 VanDerWaalsContact O-CG 3.24Å; K403-M407 WeakPolarHBondContact O-CG 3.25Å; K403-M407 PolarHBondContact O-N 3.2Å
404I82.2Confident76.4Confident1 Ų174.2 Ų74.21%0.00536%0.362CS..Hα-helixtrans-67.3-40.2176.1-59.6177.8000109.7L389 W392 H393 R396 V399 S400 I401 M407 N408 L416 I418L389-I404 HydrophobicContact CD1-CG2 4.17Å; W392-I404 HydrophobicContact CB-CG2 4.1Å; H393-I404 VanDerWaalsContact CA-CD1 3.41Å; H393-I404 HydrophobicContact CB-CD1 4Å; R396-I404 HydrophobicContact CB-CD1 4.41Å; V399-I404 HydrophobicContact CB-CD1 4.44Å; V399-I404 HydrophobicContact CB-CG1 4.3Å; V399-I404 HydrophobicContact CG1-CG1 3.98Å; S400-I404 PolarHBondContact O-N 3.37Å; I401-I404 PolarHBondContact O-N 3.43Å; I401-I404 VanDerWaalsContact O-N 3.13Å; I404-M407 PolarHBondContact O-N 3.38Å; I404-N408 PolarHBondContact O-N 3.09Å; I404-N408 VanDerWaalsContact O-N 3.11Å; I404-L416 HydrophobicContact CG2-CD1 4.24Å; I404-L416 HydrophobicContact CG2-CD2 4.34Å; I404-I418 HydrophobicContact CG2-CD1 3.5Å
405K79.9Confident76Confident57 Ų5774.3 Ų74.325%0.24838%0.38CS..Hα-helixtrans-60.3-50.4171.6-70179.2176.2-176.50111.7I401 D402 K403 M407 N408 E409I401-K405 HydrophobicContact CG2-CD 4.33Å; I401-K405 WeakPolarHBondContact O-CG 3.41Å; I401-K405 PolarHBondContact O-N 2.86Å; D402-K405 PolarHBondContact O-N 3.17Å; K403-K405 VanDerWaalsContact C-N 3.33Å; K405-M407 VanDerWaalsContact C-N 3.29Å; K405-M407 PolarHBondContact O-N 3.39Å; K405-N408 WeakPolarHBondContact O-CB 3.43Å; K405-N408 PolarHBondContact O-N 2.85Å; K405-E409 WeakPolarHBondContact O-CG 3.12Å; K405-E409 PolarHBondContact O-N 3.1Å
406A79.7Confident75.8Confident18 Ų1867.7 Ų67.715%0.14936%0.356CS..Hα-helixtrans-59.6-36.7177.200000113D402 K403 E409 Q410D402-A406 WeakPolarHBondContact O-CB 3.04Å; D402-A406 PolarHBondContact O-N 2.95Å; K403-A406 PolarHBondContact O-N 2.88Å; A406-E409 PolarHBondContact O-N 3.06Å; A406-Q410 WeakPolarHBondContact O-CB 3.43Å; A406-Q410 VanDerWaalsContact O-CG 3.32Å; A406-Q410 WeakPolarHBondContact O-CG 3.37Å; A406-Q410 PolarHBondContact O-N 3.28Å
407M80.3Confident75.2Confident59 Ų5971.3 Ų71.329%0.29138%0.377SS..Hα-helixtrans-64.3-38174.6-77.4175.3172.400112.9K403 I404 K405 N411 F412 V413 L416K403-M407 WeakPolarHBondContact O-CB 3.49Å; K403-M407 VanDerWaalsContact O-CG 3.24Å; K403-M407 WeakPolarHBondContact O-CG 3.25Å; K403-M407 PolarHBondContact O-N 3.2Å; I404-M407 PolarHBondContact O-N 3.38Å; K405-M407 VanDerWaalsContact C-N 3.29Å; K405-M407 PolarHBondContact O-N 3.39Å; M407-N411 PolarHBondContact O-N 2.98Å; M407-F412 PolarHBondContact O-N 3.49Å; M407-V413 HydrophobicContact CB-CG2 4.39Å; M407-V413 HydrophobicContact SD-CG2 4.43Å; M407-L416 HydrophobicContact CB-CD2 4.08Å
408N78.4Confident74.9Confident36 Ų3670.9 Ų70.919%0.19337%0.374CS..Hα-helixtrans-68.7-45176.8-175.384000110.6I404 K405 Q410 N411 L416 I418I404-N408 PolarHBondContact O-N 3.09Å; I404-N408 VanDerWaalsContact O-N 3.11Å; K405-N408 WeakPolarHBondContact O-CB 3.43Å; K405-N408 PolarHBondContact O-N 2.85Å; N408-Q410 VanDerWaalsContact C-N 3.35Å; N408-Q410 PolarHBondContact O-N 2.86Å; N408-N411 PolarHBondContact O-N 3.39Å; N408-L416 HydrophobicContact CB-CD2 3.76Å; N408-L416 HydrophobicContact CB-CG 4Å; N408-L416 PolarHBondContact OD1-O 3.15Å; N408-I418 HydrophobicContact CB-CD1 4.48Å; N408-I418 PolarHBondContact ND2-O 3.4Å; N408-I418 VanDerWaalsContact ND2-O 3.12Å; N408-I418 PolarHBondContact OD1-N 3.4Å
409E77.7Confident73.8Confident73 Ų7373.5 Ų73.534%0.34139%0.394SS..Hα-helixtrans-63-38.9177.8-70.5170.3-175.200112.7K405 A406 N411K405-E409 WeakPolarHBondContact O-CG 3.12Å; K405-E409 PolarHBondContact O-N 3.1Å; A406-E409 PolarHBondContact O-N 3.06Å; E409-N411 VanDerWaalsContact C-N 3.29Å; E409-N411 PolarHBondContact O-N 3.15Å
410Q79.1Confident72.5Confident82 Ų8274.7 Ų74.738%0.38341%0.411SS..THydrogen-bonded Turntrans-86.75.4-178.6-63.6179.930.100113.5A406 N408 F412A406-Q410 WeakPolarHBondContact O-CB 3.43Å; A406-Q410 VanDerWaalsContact O-CG 3.32Å; A406-Q410 WeakPolarHBondContact O-CG 3.37Å; A406-Q410 PolarHBondContact O-N 3.28Å; N408-Q410 VanDerWaalsContact C-N 3.35Å; N408-Q410 PolarHBondContact O-N 2.86Å; Q410-F412 HydrophobicContact CB-CD1 4.15Å; Q410-F412 HydrophobicContact CB-CD2 3.79Å; Q410-F412 HydrophobicContact CB-CE1 4.04Å; Q410-F412 HydrophobicContact CB-CE2 3.7Å; Q410-F412 HydrophobicContact CB-CG 4.03Å; Q410-F412 HydrophobicContact CB-CZ 3.81Å; Q410-F412 HydrophobicContact CG-CE2 4.3Å; Q410-F412 HydrophobicContact CG-CZ 4.46Å; Q410-F412 WeakPolarHBondContact O-CD1 3.35Å; Q410-F412 PolarHBondContact O-N 2.95Å
411N74.7Confident70.2Confident142 Ų14281.4 Ų81.476%0.75944%0.437SS*.THydrogen-bonded Turntrans50.437.9-176.8-65.9-58.1000113.5M407 N408 E409 V413M407-N411 PolarHBondContact O-N 2.98Å; N408-N411 PolarHBondContact O-N 3.39Å; E409-N411 VanDerWaalsContact C-N 3.29Å; E409-N411 PolarHBondContact O-N 3.15Å; N411-V413 VanDerWaalsContact C-N 3.3Å; N411-V413 PolarHBondContact O-N 3.39Å
412F75.4Confident68.3Low135 Ų13585.4 Ų85.459%0.59245%0.454SS*.  trans-81.4-8.2-179.3-72.5-26000114.2M407 Q410M407-F412 PolarHBondContact O-N 3.49Å; Q410-F412 HydrophobicContact CB-CD1 4.15Å; Q410-F412 HydrophobicContact CB-CD2 3.79Å; Q410-F412 HydrophobicContact CB-CE1 4.04Å; Q410-F412 HydrophobicContact CB-CE2 3.7Å; Q410-F412 HydrophobicContact CB-CG 4.03Å; Q410-F412 HydrophobicContact CB-CZ 3.81Å; Q410-F412 HydrophobicContact CG-CE2 4.3Å; Q410-F412 HydrophobicContact CG-CZ 4.46Å; Q410-F412 WeakPolarHBondContact O-CD1 3.35Å; Q410-F412 PolarHBondContact O-N 2.95Å
413V70.7Confident65.9Low22 Ų2287.7 Ų87.713%0.13347%0.466CS..SBendtrans-137.7115.3-174.4178.20000110.1M407 N411 G415 L416M407-V413 HydrophobicContact CB-CG2 4.39Å; M407-V413 HydrophobicContact SD-CG2 4.43Å; N411-V413 VanDerWaalsContact C-N 3.3Å; N411-V413 PolarHBondContact O-N 3.39Å; V413-G415 PolarHBondContact O-N 3.34Å; V413-L416 HydrophobicContact CB-CB 3.95Å; V413-L416 HydrophobicContact CB-CD2 4.14Å; V413-L416 HydrophobicContact CG1-CB 3.85Å; V413-L416 HydrophobicContact CG2-CD2 4.48Å; V413-L416 PolarHBondContact O-N 3.45Å
414D67.8Low63.5Low165 Ų16592.7 Ų92.788%0.88248%0.482SS*.THydrogen-bonded Turntrans-63.1133.5170.8-62.8-39.3000111L416D414-L416 VanDerWaalsContact C-N 3.32Å; D414-L416 PolarHBondContact O-N 3.06Å
415G67Low61.1Low65 Ų65101.8 Ų101.867%0.6752%0.524SS*.THydrogen-bonded Turntrans81.5-0.4177.900000115.7W392 V413 Q417W392-G415 WeakPolarHBondContact CZ2-O 3.24Å; V413-G415 PolarHBondContact O-N 3.34Å; G415-Q417 PolarHBondContact O-N 2.89Å
416L69.3Low58.7Low15 Ų15105.3 Ų105.38%0.07954%0.542CS..  trans-78.5110168.7-17362.7000108.4W392 I404 M407 N408 V413 D414 I418W392-L416 HydrophobicContact CB-CD1 4.28Å; W392-L416 HydrophobicContact CD2-CD1 3.3Å; W392-L416 HydrophobicContact CE3-CD1 3.84Å; W392-L416 HydrophobicContact CG-CD1 3.49Å; W392-L416 VanDerWaalsContact CG-CD1 3.49Å; W392-L416 HydrophobicContact CH2-CD1 4.32Å; W392-L416 HydrophobicContact CZ2-CB 4.41Å; W392-L416 HydrophobicContact CZ2-CD1 3.88Å; W392-L416 HydrophobicContact CZ3-CD1 4.31Å; I404-L416 HydrophobicContact CG2-CD1 4.24Å; I404-L416 HydrophobicContact CG2-CD2 4.34Å; M407-L416 HydrophobicContact CB-CD2 4.08Å; N408-L416 HydrophobicContact CB-CD2 3.76Å; N408-L416 HydrophobicContact CB-CG 4Å; N408-L416 PolarHBondContact OD1-O 3.15Å; V413-L416 HydrophobicContact CB-CB 3.95Å; V413-L416 HydrophobicContact CB-CD2 4.14Å; V413-L416 HydrophobicContact CG1-CB 3.85Å; V413-L416 HydrophobicContact CG2-CD2 4.48Å; V413-L416 PolarHBondContact O-N 3.45Å; D414-L416 VanDerWaalsContact C-N 3.32Å; D414-L416 PolarHBondContact O-N 3.06Å; L416-I418 HydrophobicContact CD1-CD1 3.61Å; L416-I418 HydrophobicContact CD1-CG1 4.1Å; L416-I418 HydrophobicContact CD2-CD1 4.49Å; L416-I418 HydrophobicContact CG-CD1 4.08Å
417Q62.7Low56.4Low170 Ų170110.6 Ų110.679%0.79457%0.572SS**  trans-122.5102.8171.3-69.1-166.7-8.700109G415G415-Q417 PolarHBondContact O-N 2.89Å
418I63Low54.5Low18 Ų18114 Ų1149%0.09259%0.59CS.*  trans-117.1112.3171.4-61.8158.9000106.9L389 I404 N408 L416 G420L389-I418 HydrophobicContact CD1-CD1 3.62Å; L389-I418 HydrophobicContact CD1-CG1 4.34Å; L389-I418 HydrophobicContact CD1-CG2 4.24Å; I404-I418 HydrophobicContact CG2-CD1 3.5Å; N408-I418 HydrophobicContact CB-CD1 4.48Å; N408-I418 PolarHBondContact ND2-O 3.4Å; N408-I418 VanDerWaalsContact ND2-O 3.12Å; N408-I418 PolarHBondContact OD1-N 3.4Å; L416-I418 HydrophobicContact CD1-CD1 3.61Å; L416-I418 HydrophobicContact CD1-CG1 4.1Å; L416-I418 HydrophobicContact CD2-CD1 4.49Å; L416-I418 HydrophobicContact CG-CD1 4.08Å; I418-G420 PolarHBondContact O-N 3.41Å
419T51.4Low52.7Low119 Ų119121 Ų12173%0.7362%0.619SS**  trans-81.6110.7170.543.40000108.5
420G47.3Very low50.9Low48 Ų48129.1 Ų129.150%0.49565%0.646SS.*  trans169.696.217800000111.8I418 Q422I418-G420 PolarHBondContact O-N 3.41Å; G420-Q422 PolarHBondContact O-N 3.4Å
421E31Very low49.7Very low193 Ų193130.9 Ų130.990%0.90265%0.649SS**  trans-60.7124.3174.3-67.9170143.400111.1
422Q37.7Very low49.3Very low152 Ų152134.7 Ų134.771%0.7166%0.659SS**  trans-158105.1138-74.3-156.9-18.900109.1G420 R424G420-Q422 PolarHBondContact O-N 3.4Å; Q422-R424 PolarHBondContact O-N 2.68Å
423N28.1Very low49.2Very low160 Ų160129 Ų12986%0.85664%0.636SS**  trans-55.5125.4172.7-80.1-21000111.8
424R30.6Very low49.6Very low216 Ų216132.1 Ų132.182%0.81565%0.651SS**  trans-144.3114.7153.7-110-178.5174.9176.4-1110Q422 E426Q422-R424 PolarHBondContact O-N 2.68Å; R424-E426 PolarHBondContact O-N 3.44Å
425E30.9Very low50Low192 Ų192126.7 Ų126.790%0.89763%0.625SS**  trans-67.1111.6168.8-71.7-17914900109.9
426E30.9Very low50.6Low132 Ų132124 Ų12462%0.61760%0.598SS**  trans-90.2111.8161-86-166.5162.500109.9R424 I428R424-E426 PolarHBondContact O-N 3.44Å; E426-I428 PolarHBondContact O-N 3.16Å; E426-I428 VanDerWaalsContact O-N 3.07Å
427V30.8Very low51.4Low129 Ų129124.4 Ų124.478%0.78260%0.599SS**  trans-70.997.2171.2179.50000109.3K429V427-K429 PolarHBondContact O-N 3.06Å; V427-K429 VanDerWaalsContact O-N 3.14Å
428I40.8Very low52.6Low129 Ų129116.8 Ų116.866%0.66256%0.564SS**  trans-72.7104.4165.6-57.2175.8000107.4E426 R430E426-I428 PolarHBondContact O-N 3.16Å; E426-I428 VanDerWaalsContact O-N 3.07Å; I428-R430 PolarHBondContact O-N 2.99Å
429K40Very low53.9Low185 Ų185116 Ų11680%0.80456%0.559SS**  trans-55.7104.1167.7-78.2-177177.51780108.7V427 R431V427-K429 PolarHBondContact O-N 3.06Å; V427-K429 VanDerWaalsContact O-N 3.14Å; K429-R431 PolarHBondContact O-N 3.38Å; K429-R431 VanDerWaalsContact O-N 3.16Å
430R40.8Very low55.7Low242 Ų242110.4 Ų110.491%0.91353%0.525SS*.  trans-54.9118.3173.2-74.1-178.4175.5173.1-0.9108.9I428I428-R430 PolarHBondContact O-N 2.99Å
431R53.7Low57.8Low119 Ų119108.2 Ų108.245%0.44950%0.502SS..  trans-69.5144.3168.3-69.3179.8178.1148.8-9.2108.5K429 C433 E464 M540K429-R431 PolarHBondContact O-N 3.38Å; K429-R431 VanDerWaalsContact O-N 3.16Å; R431-C433 PolarHBondContact O-N 2.85Å; R431-E464 WeakPolarHBondContact CD-O 3.22Å; R431-E464 PolarHBondContact NH1-O 2.95Å; R431-M540 PolarHBondContact NH1-SD 3.43Å
432K65Low60.6Low222 Ų22299.9 Ų99.997%0.96546%0.464SS*.SBendtrans-65-2.5-167.4-69.9-176.5177.2-179.40116.1
433C73.9Confident63.1Low15 Ų1593.6 Ų93.610%0.10144%0.436CS..SBendtrans-100.1154.2-176.256.80000112.7R431 E437 I438 S465R431-C433 PolarHBondContact O-N 2.85Å; C433-E437 HydrophobicContact CB-CB 4.49Å; C433-I438 HydrophobicContact CB-CD1 4.01Å; C433-I438 HydrophobicContact CB-CG1 4.26Å; C433-S465 WeakPolarHBondContact O-CB 3.12Å; C433-S465 PolarHBondContact O-OG 3.47Å
434L78.4Confident65.9Low88 Ų8887.6 Ų87.646%0.46141%0.406SS..PPolyproline II helixtrans-77.9153.8173.9-61.8167.4000110.7G436 E437L434-G436 PolarHBondContact O-N 3.33Å; L434-E437 HydrophobicContact CB-CG 3.81Å; L434-E437 PolarHBondContact N-OE2 3.25Å; L434-E437 WeakPolarHBondContact O-CB 3.47Å; L434-E437 PolarHBondContact O-N 3.3Å; L434-E437 VanDerWaalsContact O-N 3.16Å
435P77.8Confident68.4Low52 Ų5279.1 Ų79.134%0.33839%0.386SS..THydrogen-bonded Turntrans-50.8132172.9-28.436.4000112.3E437P435-E437 VanDerWaalsContact C-N 3.31Å; P435-E437 PolarHBondContact O-N 3.06Å
436G78.8Confident70.9Confident9 Ų974.3 Ų74.39%0.09337%0.371CS..THydrogen-bonded Turntrans80.8-7.6179.600000116.2L434 V500L434-G436 PolarHBondContact O-N 3.33Å; G436-V500 WeakPolarHBondContact O-CA 3.48Å
437E85.6Confident73.4Confident23 Ų2371 Ų7111%0.10736%0.357CS..SBendtrans-70.7-38.9-178-74.3-170.814000114.1C433 L434 P435 R501 R502C433-E437 HydrophobicContact CB-CB 4.49Å; L434-E437 HydrophobicContact CB-CG 3.81Å; L434-E437 PolarHBondContact N-OE2 3.25Å; L434-E437 WeakPolarHBondContact O-CB 3.47Å; L434-E437 PolarHBondContact O-N 3.3Å; L434-E437 VanDerWaalsContact O-N 3.16Å; P435-E437 VanDerWaalsContact C-N 3.31Å; P435-E437 PolarHBondContact O-N 3.06Å; E437-R501 WeakPolarHBondContact O-CA 3.48Å; E437-R501 WeakPolarHBondContact O-CB 3.44Å; E437-R501 PolarHBondContact O-N 3.36Å; E437-R501 IonicContact OE1-CZ 2.85Å; E437-R501 IonicContact OE1-NE 3.43Å; E437-R501 IonicContact OE1-NH1 3.47Å; E437-R501 PolarHBondContact OE1-NH1 3.02Å; E437-R502 PolarHBondContact O-N 3.14Å
438I88.3Confident75.7Confident9 Ų970.8 Ų70.85%0.04636%0.356CS..EExtended strand (participates in β ladder)trans-124.5120.9-179.1-46.4179.1000108.7C433 E464 R502C433-I438 HydrophobicContact CB-CD1 4.01Å; C433-I438 HydrophobicContact CB-CG1 4.26Å; I438-E464 HydrophobicContact CB-CB 4.02Å; I438-E464 HydrophobicContact CG2-CB 4.38Å; I438-E464 WeakPolarHBondContact CG2-OE2 3.41Å; I438-E464 PolarHBondContact O-N 3.3Å; I438-E464 VanDerWaalsContact O-N 3.07Å; I438-R502 WeakPolarHBondContact CA-O 3.48Å; I438-R502 VanDerWaalsContact CD1-NH2 3.35Å; I438-R502 HydrophobicContact CG1-CB 4.4Å; I438-R502 HydrophobicContact CG2-CB 4.26Å
439L89.7Confident77.4Confident1 Ų168.8 Ų68.81%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-111.3131171.4-67.7-178.8000109.7K462 Y468 V491 V500 R502 L503 R504L439-K462 CarbonylContact C-O 3.46Å; L439-K462 WeakPolarHBondContact CA-O 3.4Å; L439-Y468 HydrophobicContact CD2-CD1 4.42Å; L439-V491 HydrophobicContact CD1-CG2 4.14Å; L439-V500 HydrophobicContact CB-CG1 4.13Å; L439-V500 HydrophobicContact CD1-CB 4.32Å; L439-V500 HydrophobicContact CD1-CG1 3.92Å; L439-V500 HydrophobicContact CD1-CG2 3.4Å; L439-V500 VanDerWaalsContact CD1-CG2 3.4Å; L439-V500 HydrophobicContact CG-CG1 3.87Å; L439-V500 HydrophobicContact CG-CG2 4Å; L439-R502 PolarHBondContact N-O 3.32Å; L439-L503 HydrophobicContact CB-CD1 3.98Å; L439-L503 CarbonylContact O-C 3.56Å; L439-L503 WeakPolarHBondContact O-CA 3.11Å; L439-R504 PolarHBondContact O-N 3.47Å
440H89.8Confident79.4Confident3 Ų362.7 Ų62.71%0.01432%0.323CS..EExtended strand (participates in β ladder)trans-96.5142.6167.1-66.6-107.5000108.1F461 K462 E464 R504 M540H440-F461 CarbonylContact O-C 3.58Å; H440-F461 WeakPolarHBondContact O-CA 3.37Å; H440-K462 HydrophobicContact CB-CB 4.39Å; H440-K462 PolarHBondContact N-O 3.1Å; H440-K462 PolarHBondContact O-N 3.16Å; H440-E464 IonicContact CD2-OE2 2.74Å; H440-E464 IonicContact CE1-OE2 2.68Å; H440-E464 IonicContact NE2-OE2 3.94Å; H440-E464 PolarHBondContact NE2-OE2 3.03Å; H440-R504 CarbonylContact C-O 3.52Å; H440-R504 WeakPolarHBondContact CA-O 3.48Å; H440-R504 WeakPolarHBondContact CE1-CD 3.25Å; H440-M540 HydrophobicContact CB-CB 4.31Å; H440-M540 VanDerWaalsContact CD2-CE 3.42Å; H440-M540 WeakPolarHBondContact CD2-CE 2.95Å; H440-M540 WeakPolarHBondContact CE1-CE 3.16Å; H440-M540 WeakPolarHBondContact NE2-CE 3.48Å
441T91.3Very high81.3Confident1 Ų152.2 Ų52.21%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-146.8145.6-175.9-155.60000111.3F459 C460 F461 L503 R504 F511 N538T441-F459 HydrophobicContact CG2-CE2 4.04Å; T441-F459 HydrophobicContact CG2-CZ 4.21Å; T441-F459 WeakPolarHBondContact OG1-CE2 3.33Å; T441-F459 WeakPolarHBondContact OG1-CZ 3.44Å; T441-C460 WeakPolarHBondContact CA-O 3.44Å; T441-C460 WeakPolarHBondContact CB-O 3.44Å; T441-C460 PolarHBondContact OG1-O 2.82Å; T441-F461 WeakPolarHBondContact OG1-CD1 3.44Å; T441-F461 WeakPolarHBondContact OG1-CE1 3.44Å; T441-L503 HydrophobicContact CG2-CD1 3.79Å; T441-L503 HydrophobicContact CG2-CD2 4.28Å; T441-L503 HydrophobicContact CG2-CG 4.07Å; T441-R504 PolarHBondContact N-O 2.83Å; T441-F511 HydrophobicContact CG2-CD1 4.49Å; T441-F511 HydrophobicContact CG2-CE1 3.65Å; T441-F511 HydrophobicContact CG2-CZ 3.97Å; T441-N538 PolarHBondContact O-ND2 3.3Å
442D89.7Confident82.5Confident18 Ų1852.2 Ų52.210%0.09630%0.3CS..EExtended strand (participates in β ladder)trans-156.1147.7-176.9-161.710.5000110.5F459 C460 E542D442-F459 VanDerWaalsContact O-CD2 3.27Å; D442-F459 WeakPolarHBondContact O-CD2 3.25Å; D442-C460 PolarHBondContact N-O 2.84Å; D442-C460 PolarHBondContact O-N 2.85Å; D442-E542 WeakPolarHBondContact OD2-CG 3.19Å
443V89.6Confident83.3Confident20 Ų2043.8 Ų43.812%0.12128%0.276CS..EExtended strand (participates in β ladder)trans-110.9120.7178.8176.70000109Y457 F459 M474 V480 E510 F511V443-Y457 HydrophobicContact CG1-CD1 4.2Å; V443-F459 HydrophobicContact CG2-CB 4.41Å; V443-F459 HydrophobicContact CG2-CD2 3.42Å; V443-F459 VanDerWaalsContact CG2-CD2 3.42Å; V443-F459 HydrophobicContact CG2-CE2 3.84Å; V443-F459 HydrophobicContact CG2-CG 4.08Å; V443-M474 HydrophobicContact CG1-CE 3.68Å; V443-M474 HydrophobicContact CG2-CE 4Å; V443-V480 HydrophobicContact CG2-CG2 3.79Å; V443-E510 HydrophobicContact CG2-CG 4.24Å; V443-F511 HydrophobicContact CG2-CE2 4.28Å; V443-F511 HydrophobicContact CG2-CZ 3.9Å
444C87Confident83.8Confident35 Ų3544.4 Ų44.424%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-105.7121.8177-172.80000110.9Y457 F458 D545C444-Y457 CarbonylContact O-C 3.55Å; C444-Y457 VanDerWaalsContact O-CA 3.29Å; C444-Y457 WeakPolarHBondContact O-CA 3.42Å; C444-F458 HydrophobicContact CB-CD1 3.86Å; C444-F458 HydrophobicContact CB-CD2 4.12Å; C444-F458 HydrophobicContact CB-CE1 3.32Å; C444-F458 HydrophobicContact CB-CE2 3.61Å; C444-F458 HydrophobicContact CB-CG 4.25Å; C444-F458 HydrophobicContact CB-CZ 3.18Å; C444-F458 PolarHBondContact N-O 3.1Å; C444-F458 PolarHBondContact O-N 2.78Å; C444-F458 WeakPolarHBondContact SG-CE1 3.25Å; C444-F458 VanDerWaalsContact SG-CZ 3.59Å; C444-D545 HydrophobicContact CB-CB 4.33Å
445G83.9Confident84.2Confident38 Ų3841 Ų4139%0.39227%0.268SS..  trans155.4-177174.200000112.4Y457G445-Y457 VanDerWaalsContact C-CE1 3.47Å
446P83.6Confident84.7Confident90 Ų9042.6 Ų42.658%0.58427%0.27SS*.  cis-71.4133.5-1.626.3-31.7000112.4Y457P446-Y457 HydrophobicContact CB-CE1 3.94Å; P446-Y457 HydrophobicContact CB-CE2 4.29Å; P446-Y457 HydrophobicContact CG-CE1 4.36Å; P446-Y457 VanDerWaalsContact N-CE1 3.3Å
447I82.7Confident85.2Confident63 Ų6344.3 Ų44.332%0.32327%0.274SS..  trans-83.3129.1172.1-57.8176.9000108.3Q449 F456 F458I447-Q449 WeakPolarHBondContact CG2-O 3.32Å; I447-Q449 PolarHBondContact O-N 2.91Å; I447-Q449 VanDerWaalsContact O-N 3.15Å; I447-F456 PolarHBondContact N-O 3.29Å; I447-F458 HydrophobicContact CD1-CD1 3.82Å; I447-F458 HydrophobicContact CD1-CE1 3.97Å
448V79.3Confident85.4Confident125 Ų12543.8 Ų43.876%0.75827%0.271SS*.SBendtrans-56.9-33.6-175.41790000112.4
449Q77.3Confident85.6Confident86 Ų8643.3 Ų43.340%0.40227%0.269SS..SBendtrans-103.6121.1177.3-62.475.82600109.2I447I447-Q449 WeakPolarHBondContact CG2-O 3.32Å; I447-Q449 PolarHBondContact O-N 2.91Å; I447-Q449 VanDerWaalsContact O-N 3.15Å
450P81.1Confident85.7Confident57 Ų5743.4 Ų43.437%0.3727%0.27SS..PPolyproline II helixtrans-67.3145.1173.927.7-32.3000110.2S455 F456P450-S455 WeakPolarHBondContact CA-O 3.28Å; P450-F456 HydrophobicContact CB-CD1 4.13Å; P450-F456 HydrophobicContact CB-CE1 3.74Å; P450-F456 HydrophobicContact CB-CZ 3.98Å; P450-F456 HydrophobicContact CG-CE1 4.08Å; P450-F456 HydrophobicContact CG-CZ 4.36Å
451S80.8Confident85.8Confident22 Ų2243.2 Ų43.215%0.15427%0.269CS..PPolyproline II helixtrans-58.3166166.8580000111.7G453 G454 S455 L565S451-G453 PolarHBondContact O-N 2.92Å; S451-G454 PolarHBondContact O-N 2.94Å; S451-S455 PolarHBondContact N-O 2.89Å; S451-S455 VanDerWaalsContact OG-CB 3.29Å; S451-S455 WeakPolarHBondContact OG-CB 3.4Å; S451-S455 PolarHBondContact OG-N 3.3Å; S451-S455 VanDerWaalsContact OG-N 3.09Å; S451-S455 PolarHBondContact OG-O 3.03Å; S451-L565 WeakPolarHBondContact CA-OXT 3.39Å
452V79.9Confident85.7Confident119 Ų11944.6 Ų44.672%0.72128%0.275SS*.THydrogen-bonded Turntrans-49-33.5173.5178.20000112.3G454 L565V452-G454 VanDerWaalsContact C-N 3.32Å; V452-G454 PolarHBondContact O-N 2.82Å; V452-L565 HydrophobicContact CG2-CB 4.49Å; V452-L565 HydrophobicContact CG2-CD2 3.85Å; V452-L565 WeakPolarHBondContact CG2-OXT 3.44Å; V452-L565 PolarHBondContact N-OXT 3.26Å
453G80.6Confident85.6Confident45 Ų4543.9 Ų43.946%0.46427%0.271SS..THydrogen-bonded Turntrans-81.60.7178.600000116.1S451 R475S451-G453 PolarHBondContact O-N 2.92Å; G453-R475 PolarHBondContact O-NE 2.76Å; G453-R475 PolarHBondContact O-NH2 2.84Å
454G84.1Confident85.3Confident28 Ų2844.4 Ų44.429%0.28927%0.273SS..SBendtrans79.516.5-177.400000114.6S451 V452S451-G454 PolarHBondContact O-N 2.94Å; V452-G454 VanDerWaalsContact C-N 3.32Å; V452-G454 PolarHBondContact O-N 2.82Å
455S87.6Confident85Confident16 Ų1644.9 Ų44.911%0.11228%0.276CS..  trans-88.5138.6179.7-55.90000111.4P450 S451 M474P450-S455 WeakPolarHBondContact CA-O 3.28Å; S451-S455 PolarHBondContact N-O 2.89Å; S451-S455 VanDerWaalsContact OG-CB 3.29Å; S451-S455 WeakPolarHBondContact OG-CB 3.4Å; S451-S455 PolarHBondContact OG-N 3.3Å; S451-S455 VanDerWaalsContact OG-N 3.09Å; S451-S455 PolarHBondContact OG-O 3.03Å; S455-M474 WeakPolarHBondContact CA-O 3.24Å; S455-M474 VanDerWaalsContact CB-O 3.26Å; S455-M474 WeakPolarHBondContact CB-O 3.43Å
456F88.2Confident84.6Confident87 Ų8746.4 Ų46.438%0.38228%0.281SS..  trans-106.1-14.9-178.8-64.3-84000113.2I447 P450 M474I447-F456 PolarHBondContact N-O 3.29Å; P450-F456 HydrophobicContact CB-CD1 4.13Å; P450-F456 HydrophobicContact CB-CE1 3.74Å; P450-F456 HydrophobicContact CB-CZ 3.98Å; P450-F456 HydrophobicContact CG-CE1 4.08Å; P450-F456 HydrophobicContact CG-CZ 4.36Å; F456-M474 PolarHBondContact N-O 2.82Å
457Y89.4Confident84.3Confident44 Ų4444.3 Ų44.317%0.17328%0.275CS..EExtended strand (participates in β ladder)trans-124.6156.4-179.7-56.5-98.4000109V443 C444 G445 P446 M474V443-Y457 HydrophobicContact CG1-CD1 4.2Å; C444-Y457 CarbonylContact O-C 3.55Å; C444-Y457 VanDerWaalsContact O-CA 3.29Å; C444-Y457 WeakPolarHBondContact O-CA 3.42Å; G445-Y457 VanDerWaalsContact C-CE1 3.47Å; P446-Y457 HydrophobicContact CB-CE1 3.94Å; P446-Y457 HydrophobicContact CB-CE2 4.29Å; P446-Y457 HydrophobicContact CG-CE1 4.36Å; P446-Y457 VanDerWaalsContact N-CE1 3.3Å; Y457-M474 PolarHBondContact N-O 3.49Å; Y457-M474 PolarHBondContact O-N 3.17Å
458F90.5Very high84.4Confident12 Ų1244.2 Ų44.25%0.05327%0.271CS..EExtended strand (participates in β ladder)trans-129.1148.1160.869.7-95000110.3C444 I447 C460 V471 C472 F473 D545 L548 V549C444-F458 HydrophobicContact CB-CD1 3.86Å; C444-F458 HydrophobicContact CB-CD2 4.12Å; C444-F458 HydrophobicContact CB-CE1 3.32Å; C444-F458 HydrophobicContact CB-CE2 3.61Å; C444-F458 HydrophobicContact CB-CG 4.25Å; C444-F458 HydrophobicContact CB-CZ 3.18Å; C444-F458 PolarHBondContact N-O 3.1Å; C444-F458 PolarHBondContact O-N 2.78Å; C444-F458 WeakPolarHBondContact SG-CE1 3.25Å; C444-F458 VanDerWaalsContact SG-CZ 3.59Å; I447-F458 HydrophobicContact CD1-CD1 3.82Å; I447-F458 HydrophobicContact CD1-CE1 3.97Å; F458-C460 HydrophobicContact CE2-CB 4.48Å; F458-V471 HydrophobicContact CB-CG1 4.07Å; F458-V471 HydrophobicContact CD2-CG1 3.94Å; F458-V471 HydrophobicContact CG-CG1 4.29Å; F458-C472 CarbonylContact C-O 3.54Å; F458-C472 VanDerWaalsContact CA-O 3.27Å; F458-C472 WeakPolarHBondContact CA-O 3.36Å; F458-F473 HydrophobicContact CB-CD1 4.1Å; F458-F473 HydrophobicContact CB-CE1 4.31Å; F458-D545 HydrophobicContact CE2-CB 4.11Å; F458-D545 WeakPolarHBondContact CE2-OD1 3.39Å; F458-D545 HydrophobicContact CZ-CB 4.06Å; F458-L548 HydrophobicContact CE2-CD1 4.14Å; F458-V549 HydrophobicContact CE1-CG2 3.92Å; F458-V549 HydrophobicContact CZ-CG2 3.94Å
459F92Very high84.7Confident0 Ų042.7 Ų42.70%025%0.252CS..EExtended strand (participates in β ladder)trans-115.8121.3-179.4-173.2-157.7000109T441 D442 V443 F461 V471 C472 M474 V480 L484 F511T441-F459 HydrophobicContact CG2-CE2 4.04Å; T441-F459 HydrophobicContact CG2-CZ 4.21Å; T441-F459 WeakPolarHBondContact OG1-CE2 3.33Å; T441-F459 WeakPolarHBondContact OG1-CZ 3.44Å; D442-F459 VanDerWaalsContact O-CD2 3.27Å; D442-F459 WeakPolarHBondContact O-CD2 3.25Å; V443-F459 HydrophobicContact CG2-CB 4.41Å; V443-F459 HydrophobicContact CG2-CD2 3.42Å; V443-F459 VanDerWaalsContact CG2-CD2 3.42Å; V443-F459 HydrophobicContact CG2-CE2 3.84Å; V443-F459 HydrophobicContact CG2-CG 4.08Å; F459-F461 HydrophobicContact CD1-CE1 4.38Å; F459-F461 AromaticContact CD1-CE2 3.74Å; F459-F461 HydrophobicContact CD1-CE2 3.74Å; F459-F461 AromaticContact CD1-CZ 3.49Å; F459-F461 HydrophobicContact CD1-CZ 3.49Å; F459-F461 VanDerWaalsContact CD1-CZ 3.49Å; F459-F461 AromaticContact CE1-CE1 3.69Å; F459-F461 HydrophobicContact CE1-CE1 3.69Å; F459-F461 AromaticContact CE1-CE2 3.87Å; F459-F461 HydrophobicContact CE1-CE2 3.87Å; F459-F461 AromaticContact CE1-CZ 3.11Å; F459-F461 HydrophobicContact CE1-CZ 3.11Å; F459-F461 HydrophobicContact CE2-CE1 4.37Å; F459-F461 HydrophobicContact CE2-CZ 4.36Å; F459-F461 HydrophobicContact CG-CE2 4.23Å; F459-F461 HydrophobicContact CG-CZ 4.25Å; F459-F461 AromaticContact CZ-CE1 3.64Å; F459-F461 HydrophobicContact CZ-CE1 3.64Å; F459-F461 HydrophobicContact CZ-CE2 4.42Å; F459-F461 AromaticContact CZ-CZ 3.58Å; F459-F461 HydrophobicContact CZ-CZ 3.58Å; F459-V471 CarbonylContact O-C 3.46Å; F459-V471 WeakPolarHBondContact O-CA 3.45Å; F459-C472 HydrophobicContact CB-CB 4.42Å; F459-C472 PolarHBondContact N-O 3.08Å; F459-C472 PolarHBondContact O-N 3.46Å; F459-M474 HydrophobicContact CB-CE 3.7Å; F459-M474 HydrophobicContact CB-CG 4.3Å; F459-M474 HydrophobicContact CB-SD 3.7Å; F459-M474 HydrophobicContact CD1-SD 4.25Å; F459-M474 HydrophobicContact CG-CE 4.35Å; F459-M474 HydrophobicContact CG-SD 4.28Å; F459-V480 HydrophobicContact CE1-CB 4.47Å; F459-V480 HydrophobicContact CE1-CG1 3.87Å; F459-V480 HydrophobicContact CZ-CG1 3.95Å; F459-L484 HydrophobicContact CE1-CB 4.28Å; F459-F511 AromaticContact CE2-CE1 3.71Å; F459-F511 HydrophobicContact CE2-CE1 3.71Å; F459-F511 AromaticContact CE2-CZ 3.64Å; F459-F511 HydrophobicContact CE2-CZ 3.64Å; F459-F511 AromaticContact CZ-CE1 3.76Å; F459-F511 HydrophobicContact CZ-CE1 3.76Å; F459-F511 HydrophobicContact CZ-CZ 4.17Å
460C91.7Very high85.3Confident2 Ų240.2 Ų40.21%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-106.7138.4-175.1-167.80000110.9T441 D442 F458 D545 L548T441-C460 WeakPolarHBondContact CA-O 3.44Å; T441-C460 WeakPolarHBondContact CB-O 3.44Å; T441-C460 PolarHBondContact OG1-O 2.82Å; D442-C460 PolarHBondContact N-O 2.84Å; D442-C460 PolarHBondContact O-N 2.85Å; F458-C460 HydrophobicContact CE2-CB 4.48Å; C460-D545 WeakPolarHBondContact CB-OD1 3.4Å; C460-L548 HydrophobicContact CB-CD1 4.48Å
461F90.8Very high85.8Confident0 Ų040 Ų400%024%0.237CC..EExtended strand (participates in β ladder)trans-119.9134.8169.8-58.4-87.1000109.2H440 T441 F459 R469 K470 L484 A487H440-F461 CarbonylContact O-C 3.58Å; H440-F461 WeakPolarHBondContact O-CA 3.37Å; T441-F461 WeakPolarHBondContact OG1-CD1 3.44Å; T441-F461 WeakPolarHBondContact OG1-CE1 3.44Å; F459-F461 HydrophobicContact CD1-CE1 4.38Å; F459-F461 AromaticContact CD1-CE2 3.74Å; F459-F461 HydrophobicContact CD1-CE2 3.74Å; F459-F461 AromaticContact CD1-CZ 3.49Å; F459-F461 HydrophobicContact CD1-CZ 3.49Å; F459-F461 VanDerWaalsContact CD1-CZ 3.49Å; F459-F461 AromaticContact CE1-CE1 3.69Å; F459-F461 HydrophobicContact CE1-CE1 3.69Å; F459-F461 AromaticContact CE1-CE2 3.87Å; F459-F461 HydrophobicContact CE1-CE2 3.87Å; F459-F461 AromaticContact CE1-CZ 3.11Å; F459-F461 HydrophobicContact CE1-CZ 3.11Å; F459-F461 HydrophobicContact CE2-CE1 4.37Å; F459-F461 HydrophobicContact CE2-CZ 4.36Å; F459-F461 HydrophobicContact CG-CE2 4.23Å; F459-F461 HydrophobicContact CG-CZ 4.25Å; F459-F461 AromaticContact CZ-CE1 3.64Å; F459-F461 HydrophobicContact CZ-CE1 3.64Å; F459-F461 HydrophobicContact CZ-CE2 4.42Å; F459-F461 AromaticContact CZ-CZ 3.58Å; F459-F461 HydrophobicContact CZ-CZ 3.58Å; F461-R469 VanDerWaalsContact O-CA 3.26Å; F461-R469 WeakPolarHBondContact O-CA 3.26Å; F461-K470 HydrophobicContact CB-CB 4.32Å; F461-K470 HydrophobicContact CD2-CB 4.21Å; F461-K470 HydrophobicContact CD2-CG 4.37Å; F461-K470 PolarHBondContact N-O 3.35Å; F461-K470 PolarHBondContact O-N 3.35Å; F461-L484 HydrophobicContact CE1-CD1 3.78Å; F461-L484 HydrophobicContact CZ-CD1 4.42Å; F461-A487 HydrophobicContact CD1-CB 3.92Å; F461-A487 HydrophobicContact CD2-CB 3.85Å; F461-A487 HydrophobicContact CE1-CB 3.66Å; F461-A487 HydrophobicContact CE2-CB 3.58Å; F461-A487 HydrophobicContact CG-CB 3.99Å; F461-A487 HydrophobicContact CZ-CB 3.45Å; F461-A487 VanDerWaalsContact CZ-CB 3.45Å
462K88.9Confident86.3Confident30 Ų3039.4 Ų39.413%0.1323%0.233CC..EExtended strand (participates in β ladder)trans-134.1122.2179-174170.6-179.9168.70112.4L439 H440 Y468 M540 E544L439-K462 CarbonylContact C-O 3.46Å; L439-K462 WeakPolarHBondContact CA-O 3.4Å; H440-K462 HydrophobicContact CB-CB 4.39Å; H440-K462 PolarHBondContact N-O 3.1Å; H440-K462 PolarHBondContact O-N 3.16Å; K462-Y468 CarbonylContact C-O 3.6Å; K462-Y468 VanDerWaalsContact CA-O 3.22Å; K462-Y468 WeakPolarHBondContact CA-O 3.36Å; K462-M540 HydrophobicContact CD-CB 4.5Å; K462-M540 WeakPolarHBondContact CD-O 3.46Å; K462-M540 PolarHBondContact NZ-O 3.36Å; K462-E544 HydrophobicContact CD-CB 3.92Å; K462-E544 HydrophobicContact CD-CG 3.98Å; K462-E544 WeakPolarHBondContact CD-OE2 3.34Å; K462-E544 WeakPolarHBondContact CE-OE2 3.5Å; K462-E544 IonicContact NZ-OE2 2.69Å; K462-E544 PolarHBondContact NZ-OE2 2.99Å
463G87.6Confident86.8Confident2 Ų239.3 Ų39.32%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-78.4128.2173.800000112S465 G467 Y468G463-S465 PolarHBondContact O-N 3.37Å; G463-G467 VanDerWaalsContact O-CA 3.29Å; G463-G467 WeakPolarHBondContact O-CA 3.4Å; G463-G467 PolarHBondContact O-N 3.22Å; G463-G467 VanDerWaalsContact O-N 3.08Å; G463-Y468 PolarHBondContact N-O 3.45Å
464E84.6Confident87.2Confident32 Ų3237.1 Ų37.115%0.1520%0.201CC..THydrogen-bonded Turntrans-68.4-36.8-176.1-176.8162.6162.900113.5R431 I438 H440 R504 M540R431-E464 WeakPolarHBondContact CD-O 3.22Å; R431-E464 PolarHBondContact NH1-O 2.95Å; I438-E464 HydrophobicContact CB-CB 4.02Å; I438-E464 HydrophobicContact CG2-CB 4.38Å; I438-E464 WeakPolarHBondContact CG2-OE2 3.41Å; I438-E464 PolarHBondContact O-N 3.3Å; I438-E464 VanDerWaalsContact O-N 3.07Å; H440-E464 IonicContact CD2-OE2 2.74Å; H440-E464 IonicContact CE1-OE2 2.68Å; H440-E464 IonicContact NE2-OE2 3.94Å; H440-E464 PolarHBondContact NE2-OE2 3.03Å; E464-R504 IonicContact OE2-NH1 3.39Å; E464-M540 HydrophobicContact CB-CE 3.94Å; E464-M540 HydrophobicContact CG-CE 3.49Å; E464-M540 VanDerWaalsContact CG-CE 3.49Å
465S80.4Confident87.4Confident45 Ų4543.5 Ų43.532%0.31522%0.216SC..THydrogen-bonded Turntrans-83.3-55.2-176.7-176.90000112.7C433 G463C433-S465 WeakPolarHBondContact O-CB 3.12Å; C433-S465 PolarHBondContact O-OG 3.47Å; G463-S465 PolarHBondContact O-N 3.37Å
466S75.4Confident87.4Confident70 Ų7050.5 Ų50.549%0.4924%0.24SC..THydrogen-bonded Turntrans-88.5-11.8-173.755.60000114.1Y468S466-Y468 PolarHBondContact O-N 3.28Å; S466-Y468 WeakPolarHBondContact OG-CB 3.45Å; S466-Y468 PolarHBondContact OG-N 2.87Å
467G78Confident87Confident45 Ų4549.1 Ų49.146%0.46424%0.235SC..  trans67.713.2-168.200000113.7G463 R469G463-G467 VanDerWaalsContact O-CA 3.29Å; G463-G467 WeakPolarHBondContact O-CA 3.4Å; G463-G467 PolarHBondContact O-N 3.22Å; G463-G467 VanDerWaalsContact O-N 3.08Å; G467-R469 PolarHBondContact O-N 2.9Å
468Y83.5Confident86.7Confident61 Ų6151.5 Ų51.524%0.23925%0.251CS..  trans-47136.7175.7170.4-99.8000110.4L439 K462 G463 S466 K470 V491L439-Y468 HydrophobicContact CD2-CD1 4.42Å; K462-Y468 CarbonylContact C-O 3.6Å; K462-Y468 VanDerWaalsContact CA-O 3.22Å; K462-Y468 WeakPolarHBondContact CA-O 3.36Å; G463-Y468 PolarHBondContact N-O 3.45Å; S466-Y468 PolarHBondContact O-N 3.28Å; S466-Y468 WeakPolarHBondContact OG-CB 3.45Å; S466-Y468 PolarHBondContact OG-N 2.87Å; Y468-K470 HydrophobicContact CE1-CB 4.07Å; Y468-V491 HydrophobicContact CD1-CG2 4.47Å; Y468-V491 HydrophobicContact CE1-CG2 3.94Å
469R86.5Confident86.6Confident94 Ų9453.1 Ų53.136%0.35526%0.26SS..EExtended strand (participates in β ladder)trans-136.5132.4-178.3-169.1-169.6-47.2-155-11.8111.1F461 G467 V471 E544F461-R469 VanDerWaalsContact O-CA 3.26Å; F461-R469 WeakPolarHBondContact O-CA 3.26Å; G467-R469 PolarHBondContact O-N 2.9Å; R469-V471 HydrophobicContact CG-CG2 4.4Å; R469-E544 HydrophobicContact CG-CG 4.48Å; R469-E544 IonicContact CZ-OE1 2.69Å; R469-E544 IonicContact CZ-OE2 3.91Å; R469-E544 IonicContact NE-OE1 3.66Å; R469-E544 IonicContact NE-OE2 3.53Å; R469-E544 IonicContact NH1-OE1 3.16Å; R469-E544 PolarHBondContact NH1-OE1 2.97Å; R469-E544 IonicContact NH2-OE1 2.81Å; R469-E544 PolarHBondContact NH2-OE1 3.2Å; R469-E544 IonicContact NH2-OE2 2.84Å; R469-E544 PolarHBondContact NH2-OE2 3.2Å
470K89.6Confident86.5Confident33 Ų3353.3 Ų53.314%0.14326%0.261CS..EExtended strand (participates in β ladder)trans-133.7133170-179.3173.5176.1-179.10109.5F461 Y468 S486 A487 E490F461-K470 HydrophobicContact CB-CB 4.32Å; F461-K470 HydrophobicContact CD2-CB 4.21Å; F461-K470 HydrophobicContact CD2-CG 4.37Å; F461-K470 PolarHBondContact N-O 3.35Å; F461-K470 PolarHBondContact O-N 3.35Å; Y468-K470 HydrophobicContact CE1-CB 4.07Å; K470-S486 PolarHBondContact NZ-OG 3.39Å; K470-A487 HydrophobicContact CD-CB 4.43Å; K470-E490 WeakPolarHBondContact CD-OE2 3.5Å; K470-E490 VanDerWaalsContact CE-OE2 3.32Å; K470-E490 WeakPolarHBondContact CE-OE2 3.15Å; K470-E490 IonicContact NZ-OE2 2.67Å; K470-E490 PolarHBondContact NZ-OE2 3.47Å
471V90.9Very high86.5Confident52 Ų5254.5 Ų54.532%0.31527%0.267SS..EExtended strand (participates in β ladder)trans-119.6130.5178.4-175.70000108.4F458 F459 R469 L548F458-V471 HydrophobicContact CB-CG1 4.07Å; F458-V471 HydrophobicContact CD2-CG1 3.94Å; F458-V471 HydrophobicContact CG-CG1 4.29Å; F459-V471 CarbonylContact O-C 3.46Å; F459-V471 WeakPolarHBondContact O-CA 3.45Å; R469-V471 HydrophobicContact CG-CG2 4.4Å; V471-L548 HydrophobicContact CG2-CD1 3.49Å; V471-L548 VanDerWaalsContact CG2-CD1 3.49Å; V471-L548 HydrophobicContact CG2-CD2 4.08Å; V471-L548 HydrophobicContact CG2-CG 4.45Å
472C91.3Very high86.5Confident11 Ų1160.9 Ų60.97%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-124.3123.7-179.7-65.90000110.2F458 F459 Y483F458-C472 CarbonylContact C-O 3.54Å; F458-C472 VanDerWaalsContact CA-O 3.27Å; F458-C472 WeakPolarHBondContact CA-O 3.36Å; F459-C472 HydrophobicContact CB-CB 4.42Å; F459-C472 PolarHBondContact N-O 3.08Å; F459-C472 PolarHBondContact O-N 3.46Å; C472-Y483 HydrophobicContact CB-CD1 3.49Å; C472-Y483 VanDerWaalsContact CB-CD1 3.49Å; C472-Y483 HydrophobicContact CB-CD2 4.35Å; C472-Y483 HydrophobicContact CB-CE1 3.89Å; C472-Y483 HydrophobicContact CB-CG 3.73Å
473F90.3Very high86.7Confident116 Ų11662 Ų6251%0.50930%0.299SS..EExtended strand (participates in β ladder)trans-81.9133.3176.8-68.8-82.4000111.2F458 Y483F458-F473 HydrophobicContact CB-CD1 4.1Å; F458-F473 HydrophobicContact CB-CE1 4.31Å; F473-Y483 PolarHBondContact O-OH 3.41Å
474M90.5Very high86.9Confident0 Ų062 Ų620%030%0.298CS..EExtended strand (participates in β ladder)trans-127.1141.3-175.5-44.1-169.4-67.200111.4V443 S455 F456 Y457 F459 D479 V480 Y483V443-M474 HydrophobicContact CG1-CE 3.68Å; V443-M474 HydrophobicContact CG2-CE 4Å; S455-M474 WeakPolarHBondContact CA-O 3.24Å; S455-M474 VanDerWaalsContact CB-O 3.26Å; S455-M474 WeakPolarHBondContact CB-O 3.43Å; F456-M474 PolarHBondContact N-O 2.82Å; Y457-M474 PolarHBondContact N-O 3.49Å; Y457-M474 PolarHBondContact O-N 3.17Å; F459-M474 HydrophobicContact CB-CE 3.7Å; F459-M474 HydrophobicContact CB-CG 4.3Å; F459-M474 HydrophobicContact CB-SD 3.7Å; F459-M474 HydrophobicContact CD1-SD 4.25Å; F459-M474 HydrophobicContact CG-CE 4.35Å; F459-M474 HydrophobicContact CG-SD 4.28Å; M474-D479 HydrophobicContact CB-CB 4.18Å; M474-D479 HydrophobicContact CG-CB 4.37Å; M474-D479 HydrophobicContact SD-CB 4.1Å; M474-V480 HydrophobicContact CE-CG2 3.84Å; M474-V480 HydrophobicContact SD-CG2 4.05Å; M474-Y483 HydrophobicContact CB-CE2 4.21Å; M474-Y483 HydrophobicContact CG-CD2 3.63Å; M474-Y483 HydrophobicContact CG-CE2 3.51Å; M474-Y483 HydrophobicContact SD-CD2 3.63Å; M474-Y483 HydrophobicContact SD-CE2 4.1Å
475R88.7Confident87.3Confident161 Ų16165.1 Ų65.161%0.60831%0.311SS*.SBendtrans-84-34.9174.9-65.6-175.1178.8173.8-0.8111G453G453-R475 PolarHBondContact O-NE 2.76Å; G453-R475 PolarHBondContact O-NH2 2.84Å
476R85.8Confident87.8Confident163 Ų16365.6 Ų65.662%0.61532%0.315SS*.SBendtrans-130.6146.3-178.5-58.3177.771.2173.30.6109.2D478 D479R476-D478 IonicContact NH2-OD2 3.51Å; R476-D478 PolarHBondContact O-N 2.79Å; R476-D479 PolarHBondContact N-OD2 3.13Å; R476-D479 WeakPolarHBondContact O-CB 3.33Å; R476-D479 PolarHBondContact O-N 3.11Å; R476-D479 VanDerWaalsContact O-N 3.12Å
477E81.1Confident88.5Confident59 Ų5962.2 Ų62.228%0.27629%0.291SS..G310 helixtrans-60.5-26.9175.1-158.9-172.6136.100112.1D479 V480 T509 E510E477-D479 PolarHBondContact O-N 3.11Å; E477-D479 VanDerWaalsContact O-N 3.14Å; E477-V480 WeakPolarHBondContact O-CG2 3.43Å; E477-V480 PolarHBondContact O-N 2.82Å; E477-T509 PolarHBondContact OE1-OG1 2.8Å; E477-E510 HydrophobicContact CG-CB 3.96Å; E477-E510 HydrophobicContact CG-CG 4.41Å
478D83.4Confident89Confident94 Ų9460.1 Ų60.150%0.50327%0.269SS..G310 helixtrans-65.1-13.4175.7-64.2-44.9000114.5R476 V480 K513R476-D478 IonicContact NH2-OD2 3.51Å; R476-D478 PolarHBondContact O-N 2.79Å; D478-V480 PolarHBondContact O-N 2.86Å; D478-K513 IonicContact OD1-NZ 3.78Å; D478-K513 PolarHBondContact OD1-NZ 3.5Å
479D87.8Confident89.3Confident46 Ų4660 Ų6025%0.24628%0.277CS..G310 helixtrans-74.7-5.6179-67.7-37.9000113.2M474 R476 E477 L481 K482 Y483M474-D479 HydrophobicContact CB-CB 4.18Å; M474-D479 HydrophobicContact CG-CB 4.37Å; M474-D479 HydrophobicContact SD-CB 4.1Å; R476-D479 PolarHBondContact N-OD2 3.13Å; R476-D479 WeakPolarHBondContact O-CB 3.33Å; R476-D479 PolarHBondContact O-N 3.11Å; R476-D479 VanDerWaalsContact O-N 3.12Å; E477-D479 PolarHBondContact O-N 3.11Å; E477-D479 VanDerWaalsContact O-N 3.14Å; D479-L481 VanDerWaalsContact C-N 3.35Å; D479-L481 PolarHBondContact O-N 2.77Å; D479-K482 WeakPolarHBondContact O-CB 3.37Å; D479-K482 PolarHBondContact O-N 3.12Å; D479-K482 VanDerWaalsContact O-N 3.09Å; D479-Y483 HydrophobicContact CB-CD2 4.05Å; D479-Y483 HydrophobicContact CB-CE2 3.88Å; D479-Y483 WeakPolarHBondContact O-CD2 3.01Å; D479-Y483 PolarHBondContact O-N 2.83Å
480V90.5Very high89.4Confident3 Ų358.2 Ų58.22%0.01827%0.273CS..Hα-helixtrans-53.2-45.9-176.3165.40000112.8V443 F459 M474 E477 D478 K482 Y483 L484 E510 F511 I516V443-V480 HydrophobicContact CG2-CG2 3.79Å; F459-V480 HydrophobicContact CE1-CB 4.47Å; F459-V480 HydrophobicContact CE1-CG1 3.87Å; F459-V480 HydrophobicContact CZ-CG1 3.95Å; M474-V480 HydrophobicContact CE-CG2 3.84Å; M474-V480 HydrophobicContact SD-CG2 4.05Å; E477-V480 WeakPolarHBondContact O-CG2 3.43Å; E477-V480 PolarHBondContact O-N 2.82Å; D478-V480 PolarHBondContact O-N 2.86Å; V480-K482 VanDerWaalsContact C-N 3.29Å; V480-K482 PolarHBondContact O-N 2.58Å; V480-Y483 PolarHBondContact O-N 3.18Å; V480-L484 WeakPolarHBondContact O-CB 3.37Å; V480-L484 PolarHBondContact O-N 3.37Å; V480-E510 HydrophobicContact CG2-CB 4.1Å; V480-E510 HydrophobicContact CG2-CG 4.04Å; V480-F511 HydrophobicContact CG1-CD1 4.37Å; V480-F511 HydrophobicContact CG1-CE1 4.11Å; V480-I516 HydrophobicContact CG1-CD1 4.24Å
481L90.7Very high89.2Confident27 Ų2756.8 Ų56.814%0.14127%0.267CS..Hα-helixtrans-60-39.9-179.717967000112.1D479 K485 I515 I516 F519D479-L481 VanDerWaalsContact C-N 3.35Å; D479-L481 PolarHBondContact O-N 2.77Å; L481-K485 HydrophobicContact CD1-CD 4.5Å; L481-K485 HydrophobicContact CD1-CG 4.47Å; L481-K485 HydrophobicContact CG-CD 4.33Å; L481-K485 WeakPolarHBondContact O-CB 3.21Å; L481-K485 WeakPolarHBondContact O-CG 3.49Å; L481-K485 PolarHBondContact O-N 3.46Å; L481-I515 HydrophobicContact CD2-CD1 3.54Å; L481-I515 HydrophobicContact CD2-CG1 3.7Å; L481-I515 HydrophobicContact CD2-CG2 4.35Å; L481-I516 HydrophobicContact CB-CD1 3.69Å; L481-I516 HydrophobicContact CD1-CD1 3.75Å; L481-I516 HydrophobicContact CG-CD1 4.29Å; L481-F519 HydrophobicContact CD1-CB 3.99Å; L481-F519 HydrophobicContact CD1-CD1 4.01Å; L481-F519 HydrophobicContact CD1-CG 3.97Å
482K91.7Very high89Confident135 Ų13557 Ų5759%0.58726%0.264SS*.Hα-helixtrans-62-47.5-179.8174.6-171.5174.3-173.60110.5D479 V480 S486D479-K482 WeakPolarHBondContact O-CB 3.37Å; D479-K482 PolarHBondContact O-N 3.12Å; D479-K482 VanDerWaalsContact O-N 3.09Å; V480-K482 VanDerWaalsContact C-N 3.29Å; V480-K482 PolarHBondContact O-N 2.58Å; K482-S486 PolarHBondContact O-N 3.14Å
483Y92.5Very high88.8Confident53 Ų5365.3 Ų65.321%0.20829%0.294CS..Hα-helixtrans-75.4-33.8-179-70.5-66.4000112.7C472 F473 M474 D479 V480 S486 A487C472-Y483 HydrophobicContact CB-CD1 3.49Å; C472-Y483 VanDerWaalsContact CB-CD1 3.49Å; C472-Y483 HydrophobicContact CB-CD2 4.35Å; C472-Y483 HydrophobicContact CB-CE1 3.89Å; C472-Y483 HydrophobicContact CB-CG 3.73Å; F473-Y483 PolarHBondContact O-OH 3.41Å; M474-Y483 HydrophobicContact CB-CE2 4.21Å; M474-Y483 HydrophobicContact CG-CD2 3.63Å; M474-Y483 HydrophobicContact CG-CE2 3.51Å; M474-Y483 HydrophobicContact SD-CD2 3.63Å; M474-Y483 HydrophobicContact SD-CE2 4.1Å; D479-Y483 HydrophobicContact CB-CD2 4.05Å; D479-Y483 HydrophobicContact CB-CE2 3.88Å; D479-Y483 WeakPolarHBondContact O-CD2 3.01Å; D479-Y483 PolarHBondContact O-N 2.83Å; V480-Y483 PolarHBondContact O-N 3.18Å; Y483-S486 WeakPolarHBondContact O-CB 3.47Å; Y483-S486 PolarHBondContact O-N 3.45Å; Y483-A487 WeakPolarHBondContact O-CB 3.42Å; Y483-A487 PolarHBondContact O-N 2.82Å
484L92.2Very high88.5Confident1 Ų164.2 Ų64.21%0.00529%0.293CS..Hα-helixtrans-60.7-45.4172.6-176.263000111.6F459 F461 V480 S486 A487 I488 L503 I516 F519 L520F459-L484 HydrophobicContact CE1-CB 4.28Å; F461-L484 HydrophobicContact CE1-CD1 3.78Å; F461-L484 HydrophobicContact CZ-CD1 4.42Å; V480-L484 WeakPolarHBondContact O-CB 3.37Å; V480-L484 PolarHBondContact O-N 3.37Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 2.91Å; L484-A487 PolarHBondContact O-N 3.06Å; L484-I488 HydrophobicContact CD1-CD1 4.16Å; L484-I488 HydrophobicContact CD1-CG1 4.33Å; L484-I488 HydrophobicContact CG-CD1 4.3Å; L484-I488 WeakPolarHBondContact O-CG1 3.41Å; L484-I488 PolarHBondContact O-N 3.3Å; L484-L503 HydrophobicContact CD1-CD1 4.27Å; L484-L503 HydrophobicContact CD1-CD2 3.82Å; L484-L503 HydrophobicContact CD2-CD2 4.36Å; L484-I516 HydrophobicContact CD2-CD1 4.17Å; L484-I516 HydrophobicContact CD2-CG2 3.96Å; L484-F519 HydrophobicContact CD2-CD1 4.15Å; L484-F519 HydrophobicContact CD2-CE1 4.25Å; L484-F519 HydrophobicContact CG-CD1 4.45Å; L484-F519 HydrophobicContact CG-CE1 4.05Å; L484-L520 HydrophobicContact CD2-CD2 4.18Å
485K92Very high88Confident98 Ų9865.7 Ų65.743%0.42630%0.301SS..Hα-helixtrans-55-47.5172.5-80.7176.4177.1-171.80112.1L481 S489 F519L481-K485 HydrophobicContact CD1-CD 4.5Å; L481-K485 HydrophobicContact CD1-CG 4.47Å; L481-K485 HydrophobicContact CG-CD 4.33Å; L481-K485 WeakPolarHBondContact O-CB 3.21Å; L481-K485 WeakPolarHBondContact O-CG 3.49Å; L481-K485 PolarHBondContact O-N 3.46Å; K485-S489 WeakPolarHBondContact O-CB 3.5Å; K485-S489 PolarHBondContact O-N 3.08Å; K485-S489 VanDerWaalsContact O-N 3.11Å; K485-S489 PolarHBondContact O-OG 2.9Å; K485-F519 HydrophobicContact CB-CE2 4.48Å; K485-F519 HydrophobicContact CB-CZ 4.12Å; K485-F519 HydrophobicContact CD-CE2 4.26Å; K485-F519 HydrophobicContact CG-CD1 4.44Å; K485-F519 HydrophobicContact CG-CD2 4.02Å; K485-F519 HydrophobicContact CG-CE1 3.91Å; K485-F519 HydrophobicContact CG-CE2 3.45Å; K485-F519 VanDerWaalsContact CG-CE2 3.45Å; K485-F519 HydrophobicContact CG-CG 4.49Å; K485-F519 HydrophobicContact CG-CZ 3.41Å; K485-F519 VanDerWaalsContact CG-CZ 3.41Å
486S91.6Very high87.6Confident55 Ų5564.7 Ų64.739%0.38531%0.307SS..Hα-helixtrans-62-47.1178.3175.90000111.9K470 K482 Y483 L484 S489 E490K470-S486 PolarHBondContact NZ-OG 3.39Å; K482-S486 PolarHBondContact O-N 3.14Å; Y483-S486 WeakPolarHBondContact O-CB 3.47Å; Y483-S486 PolarHBondContact O-N 3.45Å; L484-S486 VanDerWaalsContact C-N 3.32Å; L484-S486 PolarHBondContact O-N 2.91Å; S486-S489 PolarHBondContact O-N 2.64Å; S486-E490 WeakPolarHBondContact O-CB 3.49Å; S486-E490 PolarHBondContact O-N 3.42Å
487A89.5Confident87.2Confident0 Ų068 Ų680%032%0.32CS..Hα-helixtrans-64.8-46.3-178.300000112.6F461 K470 Y483 L484 S489 E490 V491F461-A487 HydrophobicContact CD1-CB 3.92Å; F461-A487 HydrophobicContact CD2-CB 3.85Å; F461-A487 HydrophobicContact CE1-CB 3.66Å; F461-A487 HydrophobicContact CE2-CB 3.58Å; F461-A487 HydrophobicContact CG-CB 3.99Å; F461-A487 HydrophobicContact CZ-CB 3.45Å; F461-A487 VanDerWaalsContact CZ-CB 3.45Å; K470-A487 HydrophobicContact CD-CB 4.43Å; Y483-A487 WeakPolarHBondContact O-CB 3.42Å; Y483-A487 PolarHBondContact O-N 2.82Å; L484-A487 PolarHBondContact O-N 3.06Å; A487-S489 VanDerWaalsContact C-N 3.31Å; A487-S489 PolarHBondContact O-N 3.18Å; A487-E490 PolarHBondContact O-N 2.86Å; A487-V491 WeakPolarHBondContact O-CG2 3Å; A487-V491 PolarHBondContact O-N 2.76Å
488I89.7Confident87.1Confident0 Ų070.7 Ų70.70%033%0.328CS..Hα-helixtrans-63.2-40.1177.6-66.8-175.6000111L484 E490 V491 K492 V500 F519 L520L484-I488 HydrophobicContact CD1-CD1 4.16Å; L484-I488 HydrophobicContact CD1-CG1 4.33Å; L484-I488 HydrophobicContact CG-CD1 4.3Å; L484-I488 WeakPolarHBondContact O-CG1 3.41Å; L484-I488 PolarHBondContact O-N 3.3Å; I488-E490 VanDerWaalsContact C-N 3.35Å; I488-E490 PolarHBondContact O-N 3.22Å; I488-V491 PolarHBondContact O-N 3.32Å; I488-K492 HydrophobicContact CG2-CD 4.13Å; I488-K492 HydrophobicContact CG2-CG 4.46Å; I488-K492 WeakPolarHBondContact O-CB 3.48Å; I488-K492 VanDerWaalsContact O-CG 3.29Å; I488-K492 WeakPolarHBondContact O-CG 3.38Å; I488-K492 PolarHBondContact O-N 3.21Å; I488-V500 HydrophobicContact CG1-CG2 4.27Å; I488-F519 HydrophobicContact CD1-CE1 3.8Å; I488-F519 HydrophobicContact CD1-CZ 4.3Å; I488-L520 HydrophobicContact CD1-CD2 3.77Å
489S88.9Confident87.1Confident58 Ų5868.2 Ų68.241%0.40632%0.316SS..Hα-helixtrans-65.2-38178.8-59.30000112.6K485 S486 A487 R493K485-S489 WeakPolarHBondContact O-CB 3.5Å; K485-S489 PolarHBondContact O-N 3.08Å; K485-S489 VanDerWaalsContact O-N 3.11Å; K485-S489 PolarHBondContact O-OG 2.9Å; S486-S489 PolarHBondContact O-N 2.64Å; A487-S489 VanDerWaalsContact C-N 3.31Å; A487-S489 PolarHBondContact O-N 3.18Å; S489-R493 WeakPolarHBondContact O-CB 3.33Å; S489-R493 PolarHBondContact O-N 3.01Å
490E88.1Confident87.1Confident58 Ų5866 Ų6627%0.27130%0.304SS..Hα-helixtrans-68.5-48.2175.8-174.5172.7-176.100111.4K470 S486 A487 I488 K492 R493 D494K470-E490 WeakPolarHBondContact CD-OE2 3.5Å; K470-E490 VanDerWaalsContact CE-OE2 3.32Å; K470-E490 WeakPolarHBondContact CE-OE2 3.15Å; K470-E490 IonicContact NZ-OE2 2.67Å; K470-E490 PolarHBondContact NZ-OE2 3.47Å; S486-E490 WeakPolarHBondContact O-CB 3.49Å; S486-E490 PolarHBondContact O-N 3.42Å; A487-E490 PolarHBondContact O-N 2.86Å; I488-E490 VanDerWaalsContact C-N 3.35Å; I488-E490 PolarHBondContact O-N 3.22Å; E490-K492 VanDerWaalsContact C-N 3.26Å; E490-K492 PolarHBondContact O-N 3.37Å; E490-R493 WeakPolarHBondContact O-CA 3.42Å; E490-R493 WeakPolarHBondContact O-CB 3.34Å; E490-R493 PolarHBondContact O-N 2.87Å; E490-D494 VanDerWaalsContact O-CG 3.31Å; E490-D494 PolarHBondContact O-N 3.4Å
491V86.6Confident87.1Confident3 Ų372.8 Ų72.82%0.01833%0.329CS..Hα-helixtrans-60-37.7176.61730000111.7L439 Y468 A487 I488 N495 V500L439-V491 HydrophobicContact CD1-CG2 4.14Å; Y468-V491 HydrophobicContact CD1-CG2 4.47Å; Y468-V491 HydrophobicContact CE1-CG2 3.94Å; A487-V491 WeakPolarHBondContact O-CG2 3Å; A487-V491 PolarHBondContact O-N 2.76Å; I488-V491 PolarHBondContact O-N 3.32Å; V491-N495 WeakPolarHBondContact CG1-ND2 3.49Å; V491-N495 VanDerWaalsContact O-CB 3.32Å; V491-N495 WeakPolarHBondContact O-CB 3.29Å; V491-N495 PolarHBondContact O-N 3.46Å; V491-N495 VanDerWaalsContact O-N 3.09Å; V491-N495 PolarHBondContact O-ND2 2.92Å; V491-V500 HydrophobicContact CB-CG2 4.16Å; V491-V500 HydrophobicContact CG1-CG2 3.75Å
492K87Confident87Confident55 Ų5575 Ų7524%0.23934%0.336CS..Hα-helixtrans-61.8-45.1171.9-81.2176.1175.9-172.60112.1I488 E490 R497 R498 T499 N523I488-K492 HydrophobicContact CG2-CD 4.13Å; I488-K492 HydrophobicContact CG2-CG 4.46Å; I488-K492 WeakPolarHBondContact O-CB 3.48Å; I488-K492 VanDerWaalsContact O-CG 3.29Å; I488-K492 WeakPolarHBondContact O-CG 3.38Å; I488-K492 PolarHBondContact O-N 3.21Å; E490-K492 VanDerWaalsContact C-N 3.26Å; E490-K492 PolarHBondContact O-N 3.37Å; K492-R497 WeakPolarHBondContact O-CA 3.38Å; K492-R497 PolarHBondContact O-N 3.44Å; K492-R498 WeakPolarHBondContact CA-O 3.48Å; K492-T499 WeakPolarHBondContact CE-OG1 3.42Å; K492-N523 PolarHBondContact NZ-OD1 3.1Å
493R86.6Confident87Confident187 Ų18768.6 Ų68.671%0.70631%0.308SS*.Hα-helixtrans-62.9-44.6-179.8-170.4-174.4-58.71531.8111S489 E490S489-R493 WeakPolarHBondContact O-CB 3.33Å; S489-R493 PolarHBondContact O-N 3.01Å; E490-R493 WeakPolarHBondContact O-CA 3.42Å; E490-R493 WeakPolarHBondContact O-CB 3.34Å; E490-R493 PolarHBondContact O-N 2.87Å
494D83.2Confident86.9Confident92 Ų9270 Ų7049%0.49231%0.313SS..Hα-helixtrans-81.2-23.7-171.7-61.1-11000113.1E490E490-D494 VanDerWaalsContact O-CG 3.31Å; E490-D494 PolarHBondContact O-N 3.4Å
495N80.8Confident86.8Confident31 Ų3170 Ų7017%0.16631%0.313CS..THydrogen-bonded Turntrans-10437.8-176.7-66.8-63.4000114.5V491 R498V491-N495 WeakPolarHBondContact CG1-ND2 3.49Å; V491-N495 VanDerWaalsContact O-CB 3.32Å; V491-N495 WeakPolarHBondContact O-CB 3.29Å; V491-N495 PolarHBondContact O-N 3.46Å; V491-N495 VanDerWaalsContact O-N 3.09Å; V491-N495 PolarHBondContact O-ND2 2.92Å; N495-R498 HydrophobicContact CB-CB 4.44Å; N495-R498 WeakPolarHBondContact O-CB 3.34Å; N495-R498 PolarHBondContact O-N 3.42Å; N495-R498 PolarHBondContact O-NE 2.84Å
496N79.4Confident86.4Confident140 Ų14067.4 Ų67.475%0.74930%0.304SS*.THydrogen-bonded Turntrans55.849.7-179.5-65.3-12.2000112.9R498N496-R498 PolarHBondContact O-N 2.78Å; N496-R498 VanDerWaalsContact O-N 3.12Å
497R77.9Confident86Confident232 Ų23267.2 Ų67.288%0.87530%0.302SS*.THydrogen-bonded Turntrans64.38.6-179.7-57.6-175.3174.1177.9-1.4115.6K492 T499K492-R497 WeakPolarHBondContact O-CA 3.38Å; K492-R497 PolarHBondContact O-N 3.44Å; R497-T499 PolarHBondContact O-N 3.31Å
498R80.1Confident85.6Confident117 Ų11767.8 Ų67.844%0.44231%0.307SS..PPolyproline II helixtrans-73.9125.8173.3-69.3179.6-72.8-177-2.9110.1K492 N495 N496K492-R498 WeakPolarHBondContact CA-O 3.48Å; N495-R498 HydrophobicContact CB-CB 4.44Å; N495-R498 WeakPolarHBondContact O-CB 3.34Å; N495-R498 PolarHBondContact O-N 3.42Å; N495-R498 PolarHBondContact O-NE 2.84Å; N496-R498 PolarHBondContact O-N 2.78Å; N496-R498 VanDerWaalsContact O-N 3.12Å
499T82Confident85.3Confident41 Ų4172.7 Ų72.725%0.25234%0.338SS..PPolyproline II helixtrans-75.3161.3175.1-164.60000111.9K492 R497 R501 N523K492-T499 WeakPolarHBondContact CE-OG1 3.42Å; R497-T499 PolarHBondContact O-N 3.31Å; T499-R501 PolarHBondContact O-N 3.3Å; T499-N523 PolarHBondContact OG1-O 3.33Å; T499-N523 VanDerWaalsContact OG1-O 3.06Å
500V88.8Confident85.1Confident0 Ų070.6 Ų70.60%032%0.322CS..PPolyproline II helixtrans-65120.7166.9-178.30000107.8G436 L439 I488 V491 R502 T525G436-V500 WeakPolarHBondContact O-CA 3.48Å; L439-V500 HydrophobicContact CB-CG1 4.13Å; L439-V500 HydrophobicContact CD1-CB 4.32Å; L439-V500 HydrophobicContact CD1-CG1 3.92Å; L439-V500 HydrophobicContact CD1-CG2 3.4Å; L439-V500 VanDerWaalsContact CD1-CG2 3.4Å; L439-V500 HydrophobicContact CG-CG1 3.87Å; L439-V500 HydrophobicContact CG-CG2 4Å; I488-V500 HydrophobicContact CG1-CG2 4.27Å; V491-V500 HydrophobicContact CB-CG2 4.16Å; V491-V500 HydrophobicContact CG1-CG2 3.75Å; V500-R502 WeakPolarHBondContact CG1-O 3.43Å; V500-T525 HydrophobicContact CB-CG2 4.24Å; V500-T525 HydrophobicContact CG1-CG2 3.97Å; V500-T525 WeakPolarHBondContact O-CB 3.4Å; V500-T525 WeakPolarHBondContact O-CG2 3.35Å; V500-T525 PolarHBondContact O-OG1 2.71Å
501R89Confident84.9Confident145 Ų14567.9 Ų67.955%0.54731%0.309SS..SBendtrans-80.5-37.8179.6-72-179.2165.6179.4-11.6111.6E437 T499 R526E437-R501 WeakPolarHBondContact O-CA 3.48Å; E437-R501 WeakPolarHBondContact O-CB 3.44Å; E437-R501 PolarHBondContact O-N 3.36Å; E437-R501 IonicContact OE1-CZ 2.85Å; E437-R501 IonicContact OE1-NE 3.43Å; E437-R501 IonicContact OE1-NH1 3.47Å; E437-R501 PolarHBondContact OE1-NH1 3.02Å; T499-R501 PolarHBondContact O-N 3.3Å; R501-R526 PolarHBondContact O-N 3.34Å
502R90.6Very high84.8Confident75 Ų7571.4 Ų71.428%0.28333%0.33SS..EExtended strand (participates in β ladder)trans-135.8127.9-177.4-69.6179.2-72.8-93.6-0.7110.8E437 I438 L439 V500 R526 E528E437-R502 PolarHBondContact O-N 3.14Å; I438-R502 WeakPolarHBondContact CA-O 3.48Å; I438-R502 VanDerWaalsContact CD1-NH2 3.35Å; I438-R502 HydrophobicContact CG1-CB 4.4Å; I438-R502 HydrophobicContact CG2-CB 4.26Å; L439-R502 PolarHBondContact N-O 3.32Å; V500-R502 WeakPolarHBondContact CG1-O 3.43Å; R502-R526 CarbonylContact C-O 3.55Å; R502-R526 VanDerWaalsContact CA-O 3.3Å; R502-R526 WeakPolarHBondContact CA-O 3.5Å; R502-R526 HydrophobicContact CG-CB 4.3Å; R502-E528 VanDerWaalsContact CD-CD 3.48Å; R502-E528 WeakPolarHBondContact CD-OE1 3.17Å
503L91.5Very high84.9Confident0 Ų072.2 Ų72.20%033%0.334CS..EExtended strand (participates in β ladder)trans-105.8124167.2-175.974.1000108.2L439 T441 L484 L520 T525 R526 E528L439-L503 HydrophobicContact CB-CD1 3.98Å; L439-L503 CarbonylContact O-C 3.56Å; L439-L503 WeakPolarHBondContact O-CA 3.11Å; T441-L503 HydrophobicContact CG2-CD1 3.79Å; T441-L503 HydrophobicContact CG2-CD2 4.28Å; T441-L503 HydrophobicContact CG2-CG 4.07Å; L484-L503 HydrophobicContact CD1-CD1 4.27Å; L484-L503 HydrophobicContact CD1-CD2 3.82Å; L484-L503 HydrophobicContact CD2-CD2 4.36Å; L503-L520 HydrophobicContact CD2-CD1 3.83Å; L503-L520 HydrophobicContact CD2-CD2 3.94Å; L503-T525 HydrophobicContact CB-CG2 3.89Å; L503-R526 PolarHBondContact N-O 3Å; L503-E528 PolarHBondContact O-N 3.14Å
504R89.4Confident85Confident83 Ų8371 Ų7131%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-104.8123.8173.2-77.2177.5-179.3178.23.7110.2L439 H440 T441 E464 E528L439-R504 PolarHBondContact O-N 3.47Å; H440-R504 CarbonylContact C-O 3.52Å; H440-R504 WeakPolarHBondContact CA-O 3.48Å; H440-R504 WeakPolarHBondContact CE1-CD 3.25Å; T441-R504 PolarHBondContact N-O 2.83Å; E464-R504 IonicContact OE2-NH1 3.39Å; R504-E528 VanDerWaalsContact CA-O 3.27Å; R504-E528 WeakPolarHBondContact CA-O 3.49Å; R504-E528 HydrophobicContact CG-CB 3.74Å; R504-E528 IonicContact CZ-OE2 3.7Å; R504-E528 VanDerWaalsContact CZ-OE2 3.3Å; R504-E528 IonicContact NE-OE2 3.56Å; R504-E528 PolarHBondContact NE-OE2 3.48Å; R504-E528 IonicContact NH2-OE2 3.55Å; R504-E528 PolarHBondContact NH2-OE2 2.96Å
505S89.9Confident85.4Confident1 Ų171.4 Ų71.41%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-138.2173.6172.173.80000109.1F511 H527 E528 K529 S530S505-F511 WeakPolarHBondContact OG-CG 3.44Å; S505-H527 PolarHBondContact OG-NE2 3.17Å; S505-E528 PolarHBondContact N-O 2.91Å; S505-K529 CarbonylContact O-C 3.55Å; S505-K529 WeakPolarHBondContact O-CA 3.39Å; S505-S530 PolarHBondContact O-N 3.41Å
506D84.7Confident85.9Confident43 Ų4370 Ų7023%0.2333%0.327CS..  trans-73.9-176.2165.475.8-12.7000111.8G508 F511 S530D506-G508 VanDerWaalsContact CG-N 3.34Å; D506-G508 PolarHBondContact O-N 3.14Å; D506-G508 WeakPolarHBondContact OD1-CA 3.42Å; D506-G508 PolarHBondContact OD1-N 3.05Å; D506-F511 WeakPolarHBondContact OD1-CD2 3.36Å; D506-F511 WeakPolarHBondContact OD1-CE2 3.41Å; D506-S530 WeakPolarHBondContact CA-OG 3.03Å
507C83.3Confident86.4Confident50 Ų5065.9 Ų65.934%0.33831%0.309SS..SBendtrans-85.825171.8-79.50000112.9S530C507-S530 PolarHBondContact SG-O 3.23Å
508G81.2Confident87Confident12 Ų1259 Ų5912%0.12429%0.289CS..  trans-54.2145.4177.700000112.7D506 E510 F511 V512D506-G508 VanDerWaalsContact CG-N 3.34Å; D506-G508 PolarHBondContact O-N 3.14Å; D506-G508 WeakPolarHBondContact OD1-CA 3.42Å; D506-G508 PolarHBondContact OD1-N 3.05Å; G508-E510 WeakPolarHBondContact CA-OE2 3.35Å; G508-E510 PolarHBondContact O-N 2.91Å; G508-E510 VanDerWaalsContact O-N 3.16Å; G508-F511 PolarHBondContact O-N 3.24Å; G508-V512 WeakPolarHBondContact O-CG2 3.39Å; G508-V512 PolarHBondContact O-N 3.06Å
509T82.9Confident87.6Confident103 Ų10354.3 Ų54.363%0.63227%0.272SS*.THydrogen-bonded Turntrans-61.5-26.6-17564.40000112.9E477 K513E477-T509 PolarHBondContact OE1-OG1 2.8Å; T509-K513 WeakPolarHBondContact O-CG 3.39Å
510E83.9Confident88.1Confident15 Ų1552.4 Ų52.47%0.0726%0.261CS..THydrogen-bonded Turntrans-66.1-32.6173.170.2-80.9-150.800113.6V443 E477 V480 G508 I516V443-E510 HydrophobicContact CG2-CG 4.24Å; E477-E510 HydrophobicContact CG-CB 3.96Å; E477-E510 HydrophobicContact CG-CG 4.41Å; V480-E510 HydrophobicContact CG2-CB 4.1Å; V480-E510 HydrophobicContact CG2-CG 4.04Å; G508-E510 WeakPolarHBondContact CA-OE2 3.35Å; G508-E510 PolarHBondContact O-N 2.91Å; G508-E510 VanDerWaalsContact O-N 3.16Å; E510-I516 WeakPolarHBondContact O-CG1 3.22Å
511F84.8Confident88.2Confident1 Ų157.5 Ų57.50%0.00429%0.292CS..THydrogen-bonded Turntrans-91.2-21.7-179.2-62.2-70.2000113.2T441 V443 F459 V480 S505 D506 G508 K513 H527T441-F511 HydrophobicContact CG2-CD1 4.49Å; T441-F511 HydrophobicContact CG2-CE1 3.65Å; T441-F511 HydrophobicContact CG2-CZ 3.97Å; V443-F511 HydrophobicContact CG2-CE2 4.28Å; V443-F511 HydrophobicContact CG2-CZ 3.9Å; F459-F511 AromaticContact CE2-CE1 3.71Å; F459-F511 HydrophobicContact CE2-CE1 3.71Å; F459-F511 AromaticContact CE2-CZ 3.64Å; F459-F511 HydrophobicContact CE2-CZ 3.64Å; F459-F511 AromaticContact CZ-CE1 3.76Å; F459-F511 HydrophobicContact CZ-CE1 3.76Å; F459-F511 HydrophobicContact CZ-CZ 4.17Å; V480-F511 HydrophobicContact CG1-CD1 4.37Å; V480-F511 HydrophobicContact CG1-CE1 4.11Å; S505-F511 WeakPolarHBondContact OG-CG 3.44Å; D506-F511 WeakPolarHBondContact OD1-CD2 3.36Å; D506-F511 WeakPolarHBondContact OD1-CE2 3.41Å; G508-F511 PolarHBondContact O-N 3.24Å; F511-K513 VanDerWaalsContact C-N 3.34Å; F511-H527 PolarHBondContact O-CE1 2.81Å
512V84.7Confident88.3Confident77 Ų7758.3 Ų58.347%0.46730%0.302SS..SBendtrans-84.7-7.4-176.6179.90000112.8G508 K514G508-V512 WeakPolarHBondContact O-CG2 3.39Å; G508-V512 PolarHBondContact O-N 3.06Å; V512-K514 PolarHBondContact O-N 2.77Å
513K87.5Confident88.2Confident72 Ų7256.2 Ų56.231%0.31330%0.296SS..SBendtrans-60.5134.9178.1-64.6172.2-175.9168.70111.5D478 T509 F511 I515 I516 S517D478-K513 IonicContact OD1-NZ 3.78Å; D478-K513 PolarHBondContact OD1-NZ 3.5Å; T509-K513 WeakPolarHBondContact O-CG 3.39Å; F511-K513 VanDerWaalsContact C-N 3.34Å; K513-I515 HydrophobicContact CB-CG2 3.99Å; K513-I515 PolarHBondContact O-N 3.33Å; K513-I515 VanDerWaalsContact O-N 3.13Å; K513-I516 HydrophobicContact CB-CG1 4.28Å; K513-I516 WeakPolarHBondContact O-CB 3.14Å; K513-I516 PolarHBondContact O-N 3.32Å; K513-S517 PolarHBondContact O-N 2.88Å
514K89.3Confident88Confident162 Ų16258.9 Ų58.970%0.70432%0.324SS*.Hα-helixtrans-51.6-39.7178.6-173-178.8175.9-1770112.7V512 I516 S517 D518V512-K514 PolarHBondContact O-N 2.77Å; K514-I516 VanDerWaalsContact C-N 3.26Å; K514-I516 PolarHBondContact O-N 2.98Å; K514-S517 WeakPolarHBondContact O-CB 3.35Å; K514-S517 PolarHBondContact O-N 2.99Å; K514-S517 VanDerWaalsContact O-N 3.09Å; K514-D518 VanDerWaalsContact O-CG 3.3Å; K514-D518 PolarHBondContact O-N 3.3Å
515I91.3Very high88.1Confident99 Ų9955.3 Ų55.351%0.50831%0.311SS..Hα-helixtrans-59.6-32.8178.6-162.8170.5000113.7L481 K513 F519L481-I515 HydrophobicContact CD2-CD1 3.54Å; L481-I515 HydrophobicContact CD2-CG1 3.7Å; L481-I515 HydrophobicContact CD2-CG2 4.35Å; K513-I515 HydrophobicContact CB-CG2 3.99Å; K513-I515 PolarHBondContact O-N 3.33Å; K513-I515 VanDerWaalsContact O-N 3.13Å; I515-F519 WeakPolarHBondContact O-CB 3.37Å; I515-F519 PolarHBondContact O-N 3.49Å
516I91Very high88.2Confident2 Ų263.2 Ų63.21%0.0134%0.341CS..Hα-helixtrans-72.7-45.9175.3-60.4-70000109.2V480 L481 L484 E510 K513 K514 F519 L520V480-I516 HydrophobicContact CG1-CD1 4.24Å; L481-I516 HydrophobicContact CB-CD1 3.69Å; L481-I516 HydrophobicContact CD1-CD1 3.75Å; L481-I516 HydrophobicContact CG-CD1 4.29Å; L484-I516 HydrophobicContact CD2-CD1 4.17Å; L484-I516 HydrophobicContact CD2-CG2 3.96Å; E510-I516 WeakPolarHBondContact O-CG1 3.22Å; K513-I516 HydrophobicContact CB-CG1 4.28Å; K513-I516 WeakPolarHBondContact O-CB 3.14Å; K513-I516 PolarHBondContact O-N 3.32Å; K514-I516 VanDerWaalsContact C-N 3.26Å; K514-I516 PolarHBondContact O-N 2.98Å; I516-F519 PolarHBondContact O-N 2.97Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.3Å; I516-L520 VanDerWaalsContact O-CG 3.29Å; I516-L520 WeakPolarHBondContact O-CG 3.24Å; I516-L520 PolarHBondContact O-N 3.19Å
517S89.9Confident88.5Confident53 Ų5362.9 Ų62.937%0.37134%0.338SS..Hα-helixtrans-58.4-49.2177.9-172.90000111.8K513 K514 F519 L520 V521K513-S517 PolarHBondContact O-N 2.88Å; K514-S517 WeakPolarHBondContact O-CB 3.35Å; K514-S517 PolarHBondContact O-N 2.99Å; K514-S517 VanDerWaalsContact O-N 3.09Å; S517-F519 VanDerWaalsContact C-N 3.32Å; S517-F519 PolarHBondContact O-N 2.95Å; S517-L520 PolarHBondContact O-N 3.23Å; S517-V521 WeakPolarHBondContact O-CG2 3.32Å; S517-V521 PolarHBondContact O-N 3.13Å
518D92Very high88.8Confident87 Ų8762.3 Ų62.347%0.46533%0.33SS..Hα-helixtrans-59.4-44.8179.6-66.5-14.3000110.6K514 L520 V521 E522K514-D518 VanDerWaalsContact O-CG 3.3Å; K514-D518 PolarHBondContact O-N 3.3Å; D518-L520 PolarHBondContact O-N 3.19Å; D518-V521 PolarHBondContact O-N 3.29Å; D518-E522 WeakPolarHBondContact O-CB 3.16Å; D518-E522 PolarHBondContact O-N 3.22Å
519F92.7Very high89.1Confident19 Ų1966.1 Ų66.18%0.08334%0.343CS..Hα-helixtrans-63.2-41.5177171.3-107.3000113.2L481 L484 K485 I488 I515 I516 S517 N523L481-F519 HydrophobicContact CD1-CB 3.99Å; L481-F519 HydrophobicContact CD1-CD1 4.01Å; L481-F519 HydrophobicContact CD1-CG 3.97Å; L484-F519 HydrophobicContact CD2-CD1 4.15Å; L484-F519 HydrophobicContact CD2-CE1 4.25Å; L484-F519 HydrophobicContact CG-CD1 4.45Å; L484-F519 HydrophobicContact CG-CE1 4.05Å; K485-F519 HydrophobicContact CB-CE2 4.48Å; K485-F519 HydrophobicContact CB-CZ 4.12Å; K485-F519 HydrophobicContact CD-CE2 4.26Å; K485-F519 HydrophobicContact CG-CD1 4.44Å; K485-F519 HydrophobicContact CG-CD2 4.02Å; K485-F519 HydrophobicContact CG-CE1 3.91Å; K485-F519 HydrophobicContact CG-CE2 3.45Å; K485-F519 VanDerWaalsContact CG-CE2 3.45Å; K485-F519 HydrophobicContact CG-CG 4.49Å; K485-F519 HydrophobicContact CG-CZ 3.41Å; K485-F519 VanDerWaalsContact CG-CZ 3.41Å; I488-F519 HydrophobicContact CD1-CE1 3.8Å; I488-F519 HydrophobicContact CD1-CZ 4.3Å; I515-F519 WeakPolarHBondContact O-CB 3.37Å; I515-F519 PolarHBondContact O-N 3.49Å; I516-F519 PolarHBondContact O-N 2.97Å; S517-F519 VanDerWaalsContact C-N 3.32Å; S517-F519 PolarHBondContact O-N 2.95Å; F519-N523 WeakPolarHBondContact CD2-ND2 3.48Å; F519-N523 WeakPolarHBondContact CE2-ND2 3.23Å; F519-N523 WeakPolarHBondContact O-CB 3.35Å; F519-N523 PolarHBondContact O-N 2.76Å; F519-N523 VanDerWaalsContact O-N 3.12Å; F519-N523 PolarHBondContact O-ND2 3.07Å
520L92.3Very high89Confident2 Ų261.9 Ų61.91%0.0132%0.318CS..Hα-helixtrans-67.8-41.4179-70.4175.9000111.5L484 I488 L503 I516 S517 D518 N523 G524 T525 H527L484-L520 HydrophobicContact CD2-CD2 4.18Å; I488-L520 HydrophobicContact CD1-CD2 3.77Å; L503-L520 HydrophobicContact CD2-CD1 3.83Å; L503-L520 HydrophobicContact CD2-CD2 3.94Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.3Å; I516-L520 VanDerWaalsContact O-CG 3.29Å; I516-L520 WeakPolarHBondContact O-CG 3.24Å; I516-L520 PolarHBondContact O-N 3.19Å; S517-L520 PolarHBondContact O-N 3.23Å; D518-L520 PolarHBondContact O-N 3.19Å; L520-N523 CarbonylContact O-C 3.58Å; L520-N523 PolarHBondContact O-N 2.8Å; L520-G524 PolarHBondContact O-N 2.84Å; L520-T525 CarbonylContact C-O 3.59Å; L520-T525 HydrophobicContact CD2-CG2 3.93Å; L520-T525 PolarHBondContact O-N 2.92Å; L520-H527 HydrophobicContact CD1-CB 3.73Å
521V90.8Very high88.6Confident107 Ų10764.4 Ų64.465%0.64834%0.336SS*.Hα-helixtrans-62-46.6174.9171.80000110.8S517 D518 N523 G524S517-V521 WeakPolarHBondContact O-CG2 3.32Å; S517-V521 PolarHBondContact O-N 3.13Å; D518-V521 PolarHBondContact O-N 3.29Å; V521-N523 PolarHBondContact O-N 3.06Å; V521-G524 PolarHBondContact O-N 3.11Å
522E91Very high88Confident162 Ų16269.1 Ų69.176%0.75737%0.366SS*.Hα-helixtrans-57.4-32.4175.8-173.3-175.6-170.700112.3D518D518-E522 WeakPolarHBondContact O-CB 3.16Å; D518-E522 PolarHBondContact O-N 3.22Å
523N87.7Confident86.8Confident31 Ų3171.5 Ų71.517%0.16639%0.386CS..THydrogen-bonded Turntrans-89.92.3179.7-79.6-94.6000114.5K492 T499 F519 L520 V521 T525K492-N523 PolarHBondContact NZ-OD1 3.1Å; T499-N523 PolarHBondContact OG1-O 3.33Å; T499-N523 VanDerWaalsContact OG1-O 3.06Å; F519-N523 WeakPolarHBondContact CD2-ND2 3.48Å; F519-N523 WeakPolarHBondContact CE2-ND2 3.23Å; F519-N523 WeakPolarHBondContact O-CB 3.35Å; F519-N523 PolarHBondContact O-N 2.76Å; F519-N523 VanDerWaalsContact O-N 3.12Å; F519-N523 PolarHBondContact O-ND2 3.07Å; L520-N523 CarbonylContact O-C 3.58Å; L520-N523 PolarHBondContact O-N 2.8Å; V521-N523 PolarHBondContact O-N 3.06Å; N523-T525 VanDerWaalsContact C-N 3.26Å; N523-T525 PolarHBondContact O-N 3.41Å
524G88.6Confident85.7Confident56 Ų5670.5 Ų70.558%0.57739%0.386SS*.THydrogen-bonded Turntrans68.923.4-177.100000113.6L520 V521L520-G524 PolarHBondContact O-N 2.84Å; V521-G524 PolarHBondContact O-N 3.11Å
525T90.9Very high84.4Confident7 Ų765.9 Ų65.94%0.04337%0.373CS..  trans-100.7121.8-177.1-520000110.1V500 L503 L520 N523V500-T525 HydrophobicContact CB-CG2 4.24Å; V500-T525 HydrophobicContact CG1-CG2 3.97Å; V500-T525 WeakPolarHBondContact O-CB 3.4Å; V500-T525 WeakPolarHBondContact O-CG2 3.35Å; V500-T525 PolarHBondContact O-OG1 2.71Å; L503-T525 HydrophobicContact CB-CG2 3.89Å; L520-T525 CarbonylContact C-O 3.59Å; L520-T525 HydrophobicContact CD2-CG2 3.93Å; L520-T525 PolarHBondContact O-N 2.92Å; N523-T525 VanDerWaalsContact C-N 3.26Å; N523-T525 PolarHBondContact O-N 3.41Å
526R91.1Very high83.2Confident167 Ų16768.9 Ų68.963%0.6339%0.385SS*.EExtended strand (participates in β ladder)trans-77.7125172.4-173.1-176.2-173.2-148.810.1110.1R501 R502 L503 E528R501-R526 PolarHBondContact O-N 3.34Å; R502-R526 CarbonylContact C-O 3.55Å; R502-R526 VanDerWaalsContact CA-O 3.3Å; R502-R526 WeakPolarHBondContact CA-O 3.5Å; R502-R526 HydrophobicContact CG-CB 4.3Å; L503-R526 PolarHBondContact N-O 3Å; R526-E528 HydrophobicContact CG-CG 4.41Å; R526-E528 IonicContact CZ-OE1 3.93Å; R526-E528 IonicContact NH1-OE1 3.63Å; R526-E528 PolarHBondContact NH1-OE1 3.29Å
527H92.1Very high82.2Confident37 Ų3772.1 Ų72.117%0.17141%0.406CS..EExtended strand (participates in β ladder)trans-85.8114.1172.5-167.3-169.2000110.4S505 F511 L520 K529S505-H527 PolarHBondContact OG-NE2 3.17Å; F511-H527 PolarHBondContact O-CE1 2.81Å; L520-H527 HydrophobicContact CD1-CB 3.73Å; H527-K529 WeakPolarHBondContact CE1-CE 3.41Å; H527-K529 WeakPolarHBondContact ND1-CE 3.22Å
528E89.3Confident81.7Confident37 Ų3769.7 Ų69.717%0.17339%0.389CS..EExtended strand (participates in β ladder)trans-104.1107.3174.8-69-175.217200108.5R502 L503 R504 S505 R526R502-E528 VanDerWaalsContact CD-CD 3.48Å; R502-E528 WeakPolarHBondContact CD-OE1 3.17Å; L503-E528 PolarHBondContact O-N 3.14Å; R504-E528 VanDerWaalsContact CA-O 3.27Å; R504-E528 WeakPolarHBondContact CA-O 3.49Å; R504-E528 HydrophobicContact CG-CB 3.74Å; R504-E528 IonicContact CZ-OE2 3.7Å; R504-E528 VanDerWaalsContact CZ-OE2 3.3Å; R504-E528 IonicContact NE-OE2 3.56Å; R504-E528 PolarHBondContact NE-OE2 3.48Å; R504-E528 IonicContact NH2-OE2 3.55Å; R504-E528 PolarHBondContact NH2-OE2 2.96Å; S505-E528 PolarHBondContact N-O 2.91Å; R526-E528 HydrophobicContact CG-CG 4.41Å; R526-E528 IonicContact CZ-OE1 3.93Å; R526-E528 IonicContact NH1-OE1 3.63Å; R526-E528 PolarHBondContact NH1-OE1 3.29Å
529K87.6Confident80.8Confident92 Ų9271 Ų7140%0.439%0.389SS..EExtended strand (participates in β ladder)trans-92.4139.6179.9-58.8171.4-168.8172.60109.5S505 H527S505-K529 CarbonylContact O-C 3.55Å; S505-K529 WeakPolarHBondContact O-CA 3.39Å; H527-K529 WeakPolarHBondContact CE1-CE 3.41Å; H527-K529 WeakPolarHBondContact ND1-CE 3.22Å
530S80.9Confident80.1Confident15 Ų1570.4 Ų70.411%0.10539%0.386CS..PPolyproline II helixtrans-64.3152.1166.969.30000110.2S505 D506 C507S505-S530 PolarHBondContact O-N 3.41Å; D506-S530 WeakPolarHBondContact CA-OG 3.03Å; C507-S530 PolarHBondContact SG-O 3.23Å
531P74.8Confident79.5Confident68 Ų6870.4 Ų70.444%0.44239%0.387SS..PPolyproline II helixtrans-54.2148.9165.7-19.829.7000111S533 T534P531-S533 PolarHBondContact O-N 3.13Å; P531-T534 HydrophobicContact CB-CG2 4.18Å; P531-T534 WeakPolarHBondContact CB-OG1 3.48Å; P531-T534 WeakPolarHBondContact CD-OG1 3.45Å; P531-T534 PolarHBondContact O-N 3.1Å; P531-T534 PolarHBondContact O-OG1 3.23Å
532P72.3Confident79Confident99 Ų9968.8 Ų68.864%0.64337%0.372SS*.THydrogen-bonded Turntrans-55.9139172.8-24.634.1000111T534P532-T534 PolarHBondContact O-N 3.48Å
533S60.7Low78.7Confident127 Ų12769.7 Ų69.789%0.88837%0.368SS*.THydrogen-bonded Turntrans61.919.7176-52.40000115.8P531 P535P531-S533 PolarHBondContact O-N 3.13Å; S533-P535 VanDerWaalsContact C-CD 3.4Å; S533-P535 VanDerWaalsContact O-CD 3.23Å; S533-P535 WeakPolarHBondContact O-CD 3.49Å
534T63Low78.6Confident52 Ų5268.5 Ų68.532%0.31936%0.362SS..  trans-114.775.2171.558.50000111P531 P532 E536 C537P531-T534 HydrophobicContact CB-CG2 4.18Å; P531-T534 WeakPolarHBondContact CB-OG1 3.48Å; P531-T534 WeakPolarHBondContact CD-OG1 3.45Å; P531-T534 PolarHBondContact O-N 3.1Å; P531-T534 PolarHBondContact O-OG1 3.23Å; P532-T534 PolarHBondContact O-N 3.48Å; T534-E536 PolarHBondContact O-N 3.13Å; T534-E536 VanDerWaalsContact O-N 3.15Å; T534-C537 WeakPolarHBondContact O-CB 3.28Å; T534-C537 PolarHBondContact O-N 2.69Å
535P62.9Low78.4Confident64 Ų6466.2 Ų66.242%0.41634%0.337SS..G310 helixtrans-54.5-33.5-179.620.1-32000112.6S533 C537 N538 Y539 E542S533-P535 VanDerWaalsContact C-CD 3.4Å; S533-P535 VanDerWaalsContact O-CD 3.23Å; S533-P535 WeakPolarHBondContact O-CD 3.49Å; P535-C537 PolarHBondContact O-N 2.64Å; P535-N538 CarbonylContact O-C 3.59Å; P535-N538 PolarHBondContact O-N 2.94Å; P535-Y539 PolarHBondContact O-N 3.14Å; P535-E542 WeakPolarHBondContact CA-OE1 3.5Å; P535-E542 VanDerWaalsContact CB-CD 3.47Å; P535-E542 WeakPolarHBondContact CB-OE1 3.43Å; P535-E542 VanDerWaalsContact CB-OE2 3.26Å; P535-E542 WeakPolarHBondContact CB-OE2 3.07Å
536E65.5Low78.1Confident163 Ų16367.4 Ų67.476%0.76235%0.35SS*.G310 helixtrans-55.5-25.6176.8-55.1-172.5-154.900114.3T534 Y539T534-E536 PolarHBondContact O-N 3.13Å; T534-E536 VanDerWaalsContact O-N 3.15Å; E536-Y539 WeakPolarHBondContact O-CB 3.33Å; E536-Y539 WeakPolarHBondContact O-CD1 3.44Å; E536-Y539 PolarHBondContact O-N 3.31Å
537C71.1Confident77.8Confident69 Ų6961.3 Ų61.347%0.46633%0.331SS..G310 helixtrans-77.7-24.2177.9-68.10000113.2T534 P535T534-C537 WeakPolarHBondContact O-CB 3.28Å; T534-C537 PolarHBondContact O-N 2.69Å; P535-C537 PolarHBondContact O-N 2.64Å
538N77.9Confident77.5Confident2 Ų261 Ų611%0.01133%0.331CS..G310 helixtrans-10324.2171.5-162.626.6000111.9T441 P535 M540 G541 E542T441-N538 PolarHBondContact O-ND2 3.3Å; P535-N538 CarbonylContact O-C 3.59Å; P535-N538 PolarHBondContact O-N 2.94Å; N538-M540 PolarHBondContact O-N 3.23Å; N538-G541 PolarHBondContact O-N 2.95Å; N538-E542 PolarHBondContact O-N 2.68Å
539Y74.7Confident77.4Confident115 Ų11561 Ų6145%0.45133%0.333SS..Hα-helixtrans-52.1-27.4-171.277.5-87000114.6P535 E536 R543P535-Y539 PolarHBondContact O-N 3.14Å; E536-Y539 WeakPolarHBondContact O-CB 3.33Å; E536-Y539 WeakPolarHBondContact O-CD1 3.44Å; E536-Y539 PolarHBondContact O-N 3.31Å; Y539-R543 WeakPolarHBondContact O-CB 3.4Å; Y539-R543 PolarHBondContact O-N 3.49Å; Y539-R543 VanDerWaalsContact O-N 3.08Å
540M77.7Confident77.2Confident6 Ų662.6 Ų62.63%0.0334%0.342CS..Hα-helixtrans-74.8-35179.8-77.6-149-75.900113.5R431 H440 K462 E464 N538 E544R431-M540 PolarHBondContact NH1-SD 3.43Å; H440-M540 HydrophobicContact CB-CB 4.31Å; H440-M540 VanDerWaalsContact CD2-CE 3.42Å; H440-M540 WeakPolarHBondContact CD2-CE 2.95Å; H440-M540 WeakPolarHBondContact CE1-CE 3.16Å; H440-M540 WeakPolarHBondContact NE2-CE 3.48Å; K462-M540 HydrophobicContact CD-CB 4.5Å; K462-M540 WeakPolarHBondContact CD-O 3.46Å; K462-M540 PolarHBondContact NZ-O 3.36Å; E464-M540 HydrophobicContact CB-CE 3.94Å; E464-M540 HydrophobicContact CG-CE 3.49Å; E464-M540 VanDerWaalsContact CG-CE 3.49Å; N538-M540 PolarHBondContact O-N 3.23Å; M540-E544 WeakPolarHBondContact O-CB 3.4Å; M540-E544 PolarHBondContact O-N 3.49Å
541G78.5Confident77.4Confident2 Ų264.8 Ų64.82%0.02135%0.35CS..Hα-helixtrans-69.1-57.9173.100000110.3N538 R543 E544 D545N538-G541 PolarHBondContact O-N 2.95Å; G541-R543 VanDerWaalsContact C-N 3.35Å; G541-R543 PolarHBondContact O-N 3.41Å; G541-E544 WeakPolarHBondContact O-CA 3.23Å; G541-E544 VanDerWaalsContact O-CB 3.26Å; G541-E544 WeakPolarHBondContact O-CB 2.98Å; G541-E544 PolarHBondContact O-N 3.11Å; G541-D545 PolarHBondContact O-N 2.84Å
542E81.1Confident77.8Confident73 Ų7364.8 Ų64.834%0.34135%0.348SS..Hα-helixtrans-57.7-43.9-177.7-65.6-177.9174.500113.1D442 P535 N538 E544 D545 G546D442-E542 WeakPolarHBondContact OD2-CG 3.19Å; P535-E542 WeakPolarHBondContact CA-OE1 3.5Å; P535-E542 VanDerWaalsContact CB-CD 3.47Å; P535-E542 WeakPolarHBondContact CB-OE1 3.43Å; P535-E542 VanDerWaalsContact CB-OE2 3.26Å; P535-E542 WeakPolarHBondContact CB-OE2 3.07Å; N538-E542 PolarHBondContact O-N 2.68Å; E542-E544 PolarHBondContact O-N 3.31Å; E542-D545 PolarHBondContact O-N 2.92Å; E542-G546 PolarHBondContact O-N 3.48Å
543R84.2Confident78.1Confident181 Ų18168.3 Ų68.368%0.68335%0.349SS*.Hα-helixtrans-63.5-32.8176.7-176.4173.5-178.1150.34111.8Y539 G541 T547Y539-R543 WeakPolarHBondContact O-CB 3.4Å; Y539-R543 PolarHBondContact O-N 3.49Å; Y539-R543 VanDerWaalsContact O-N 3.08Å; G541-R543 VanDerWaalsContact C-N 3.35Å; G541-R543 PolarHBondContact O-N 3.41Å; R543-T547 WeakPolarHBondContact O-CB 3.33Å; R543-T547 PolarHBondContact O-N 2.96Å; R543-T547 PolarHBondContact O-OG1 3.43Å
544E85.2Confident79Confident6 Ų664.4 Ų64.43%0.02832%0.322CS..Hα-helixtrans-70.5-41.9177.2-162.856.5-103.500111.7K462 R469 M540 G541 E542 T547 L548K462-E544 HydrophobicContact CD-CB 3.92Å; K462-E544 HydrophobicContact CD-CG 3.98Å; K462-E544 WeakPolarHBondContact CD-OE2 3.34Å; K462-E544 WeakPolarHBondContact CE-OE2 3.5Å; K462-E544 IonicContact NZ-OE2 2.69Å; K462-E544 PolarHBondContact NZ-OE2 2.99Å; R469-E544 HydrophobicContact CG-CG 4.48Å; R469-E544 IonicContact CZ-OE1 2.69Å; R469-E544 IonicContact CZ-OE2 3.91Å; R469-E544 IonicContact NE-OE1 3.66Å; R469-E544 IonicContact NE-OE2 3.53Å; R469-E544 IonicContact NH1-OE1 3.16Å; R469-E544 PolarHBondContact NH1-OE1 2.97Å; R469-E544 IonicContact NH2-OE1 2.81Å; R469-E544 PolarHBondContact NH2-OE1 3.2Å; R469-E544 IonicContact NH2-OE2 2.84Å; R469-E544 PolarHBondContact NH2-OE2 3.2Å; M540-E544 WeakPolarHBondContact O-CB 3.4Å; M540-E544 PolarHBondContact O-N 3.49Å; G541-E544 WeakPolarHBondContact O-CA 3.23Å; G541-E544 VanDerWaalsContact O-CB 3.26Å; G541-E544 WeakPolarHBondContact O-CB 2.98Å; G541-E544 PolarHBondContact O-N 3.11Å; E542-E544 PolarHBondContact O-N 3.31Å; E544-T547 WeakPolarHBondContact O-CB 3.2Å; E544-T547 PolarHBondContact O-N 3.48Å; E544-L548 HydrophobicContact CG-CD1 4.32Å; E544-L548 WeakPolarHBondContact O-CB 3.43Å; E544-L548 VanDerWaalsContact O-CG 3.31Å; E544-L548 WeakPolarHBondContact O-CG 3.47Å; E544-L548 PolarHBondContact O-N 3.02Å
545D84.7Confident79.8Confident9 Ų965.7 Ų65.75%0.04833%0.325CS..Hα-helixtrans-62.8-44.7177.1-735.2000110.9C444 F458 C460 G541 E542 T547 L548 V549C444-D545 HydrophobicContact CB-CB 4.33Å; F458-D545 HydrophobicContact CE2-CB 4.11Å; F458-D545 WeakPolarHBondContact CE2-OD1 3.39Å; F458-D545 HydrophobicContact CZ-CB 4.06Å; C460-D545 WeakPolarHBondContact CB-OD1 3.4Å; G541-D545 PolarHBondContact O-N 2.84Å; E542-D545 PolarHBondContact O-N 2.92Å; D545-T547 PolarHBondContact O-N 2.79Å; D545-L548 PolarHBondContact O-N 3.46Å; D545-V549 VanDerWaalsContact O-CG2 3.31Å; D545-V549 WeakPolarHBondContact O-CG2 3.46Å; D545-V549 PolarHBondContact O-N 3.33Å
546G84.9Confident80.6Confident31 Ų3164 Ų6432%0.3231%0.313SS..Hα-helixtrans-57.4-47171.100000112.6E542 L548 V549 E550E542-G546 PolarHBondContact O-N 3.48Å; G546-L548 VanDerWaalsContact C-N 3.34Å; G546-L548 PolarHBondContact O-N 3.25Å; G546-V549 PolarHBondContact O-N 3.46Å; G546-E550 WeakPolarHBondContact O-CB 3.4Å; G546-E550 WeakPolarHBondContact O-CG 3.12Å; G546-E550 PolarHBondContact O-N 2.57Å
547T84.5Confident81.1Confident39 Ų3960.8 Ų60.824%0.23931%0.306CS..Hα-helixtrans-61.4-41.3178.7-59.80000111.8R543 E544 D545 K551R543-T547 WeakPolarHBondContact O-CB 3.33Å; R543-T547 PolarHBondContact O-N 2.96Å; R543-T547 PolarHBondContact O-OG1 3.43Å; E544-T547 WeakPolarHBondContact O-CB 3.2Å; E544-T547 PolarHBondContact O-N 3.48Å; D545-T547 PolarHBondContact O-N 2.79Å; T547-K551 HydrophobicContact CG2-CD 3.88Å; T547-K551 HydrophobicContact CG2-CG 4.46Å; T547-K551 VanDerWaalsContact O-CB 3.26Å; T547-K551 WeakPolarHBondContact O-CB 3.43Å; T547-K551 WeakPolarHBondContact O-CG 3.36Å; T547-K551 PolarHBondContact O-N 3.45Å; T547-K551 VanDerWaalsContact O-N 3.07Å
548L86.3Confident81.2Confident32 Ų3260.7 Ų60.717%0.16830%0.304CS..Hα-helixtrans-65.5-44.8177.9-74.9168.3000111.5F458 C460 V471 E544 D545 G546 T552F458-L548 HydrophobicContact CE2-CD1 4.14Å; C460-L548 HydrophobicContact CB-CD1 4.48Å; V471-L548 HydrophobicContact CG2-CD1 3.49Å; V471-L548 VanDerWaalsContact CG2-CD1 3.49Å; V471-L548 HydrophobicContact CG2-CD2 4.08Å; V471-L548 HydrophobicContact CG2-CG 4.45Å; E544-L548 HydrophobicContact CG-CD1 4.32Å; E544-L548 WeakPolarHBondContact O-CB 3.43Å; E544-L548 VanDerWaalsContact O-CG 3.31Å; E544-L548 WeakPolarHBondContact O-CG 3.47Å; E544-L548 PolarHBondContact O-N 3.02Å; D545-L548 PolarHBondContact O-N 3.46Å; G546-L548 VanDerWaalsContact C-N 3.34Å; G546-L548 PolarHBondContact O-N 3.25Å; L548-T552 WeakPolarHBondContact O-CB 3.47Å; L548-T552 PolarHBondContact O-N 3.35Å; L548-T552 PolarHBondContact O-OG1 3.27Å
549V86Confident81Confident35 Ų3568.2 Ų68.221%0.21233%0.332CS..Hα-helixtrans-64.9-46.1179.3171.20000111.3F458 D545 G546 T552 R553F458-V549 HydrophobicContact CE1-CG2 3.92Å; F458-V549 HydrophobicContact CZ-CG2 3.94Å; D545-V549 VanDerWaalsContact O-CG2 3.31Å; D545-V549 WeakPolarHBondContact O-CG2 3.46Å; D545-V549 PolarHBondContact O-N 3.33Å; G546-V549 PolarHBondContact O-N 3.46Å; V549-T552 PolarHBondContact O-N 3.43Å; V549-R553 WeakPolarHBondContact O-CG 3.3Å; V549-R553 PolarHBondContact O-N 2.9Å
550E84.1Confident81Confident127 Ų12770 Ų7059%0.59335%0.349SS*.Hα-helixtrans-64.1-45179.4-73.9176.8178.400112.5G546 T552 R553 S554G546-E550 WeakPolarHBondContact O-CB 3.4Å; G546-E550 WeakPolarHBondContact O-CG 3.12Å; G546-E550 PolarHBondContact O-N 2.57Å; E550-T552 VanDerWaalsContact C-N 3.31Å; E550-T552 PolarHBondContact O-N 2.9Å; E550-R553 PolarHBondContact O-N 3.23Å; E550-S554 WeakPolarHBondContact O-CB 3.43Å; E550-S554 PolarHBondContact O-N 3.28Å; E550-S554 PolarHBondContact O-OG 3.02Å
551K84.2Confident80.8Confident60 Ų6073.5 Ų73.526%0.26137%0.368SS..Hα-helixtrans-60.6-42.3175.6-78.5177.5169.4-166.50111.9T397 T547 S554 M555T397-K551 HydrophobicContact CG2-CB 4.3Å; T397-K551 WeakPolarHBondContact OG1-CD 3.35Å; T397-K551 WeakPolarHBondContact OG1-CE 3.2Å; T397-K551 WeakPolarHBondContact OG1-CG 3.5Å; T547-K551 HydrophobicContact CG2-CD 3.88Å; T547-K551 HydrophobicContact CG2-CG 4.46Å; T547-K551 VanDerWaalsContact O-CB 3.26Å; T547-K551 WeakPolarHBondContact O-CB 3.43Å; T547-K551 WeakPolarHBondContact O-CG 3.36Å; T547-K551 PolarHBondContact O-N 3.45Å; T547-K551 VanDerWaalsContact O-N 3.07Å; K551-S554 PolarHBondContact O-N 3.36Å; K551-M555 WeakPolarHBondContact O-CG 3.09Å; K551-M555 PolarHBondContact O-N 3.06Å
552T83.2Confident80.2Confident68 Ų6877.2 Ų77.242%0.41739%0.392SS..Hα-helixtrans-63.5-47.1177.3-56.50000111.2L548 V549 E550 S554 M555 L556L548-T552 WeakPolarHBondContact O-CB 3.47Å; L548-T552 PolarHBondContact O-N 3.35Å; L548-T552 PolarHBondContact O-OG1 3.27Å; V549-T552 PolarHBondContact O-N 3.43Å; E550-T552 VanDerWaalsContact C-N 3.31Å; E550-T552 PolarHBondContact O-N 2.9Å; T552-S554 VanDerWaalsContact C-N 3.29Å; T552-S554 PolarHBondContact O-N 3.42Å; T552-M555 PolarHBondContact O-N 2.9Å; T552-L556 HydrophobicContact CG2-CD1 4.27Å; T552-L556 WeakPolarHBondContact O-CG 3.32Å; T552-L556 PolarHBondContact O-N 3.27Å
553R80.7Confident79.4Confident174 Ų17482.2 Ų82.266%0.65741%0.412SS*.Hα-helixtrans-59-40.5175.7-73.8173.4178.1169.71.9112.4V549 E550 L556 C557V549-R553 WeakPolarHBondContact O-CG 3.3Å; V549-R553 PolarHBondContact O-N 2.9Å; E550-R553 PolarHBondContact O-N 3.23Å; R553-L556 PolarHBondContact O-N 3.49Å; R553-C557 WeakPolarHBondContact O-CB 3.37Å; R553-C557 PolarHBondContact O-N 3.46Å
554S79.7Confident78.1Confident45 Ų4583.5 Ų83.532%0.31542%0.417SS..Hα-helixtrans-64-45.7178.1-55.60000111.5E550 K551 T552 L556 C557 V558E550-S554 WeakPolarHBondContact O-CB 3.43Å; E550-S554 PolarHBondContact O-N 3.28Å; E550-S554 PolarHBondContact O-OG 3.02Å; K551-S554 PolarHBondContact O-N 3.36Å; T552-S554 VanDerWaalsContact C-N 3.29Å; T552-S554 PolarHBondContact O-N 3.42Å; S554-L556 PolarHBondContact O-N 2.89Å; S554-C557 PolarHBondContact O-N 3.28Å; S554-V558 WeakPolarHBondContact O-CG2 3.25Å; S554-V558 PolarHBondContact O-N 3.06Å
555M79.4Confident76.2Confident78 Ų7888 Ų8838%0.38444%0.441SS..Hα-helixtrans-59-44.6175.2-73.2-171.5-72.200112.6T397 K551 T552 R559T397-M555 HydrophobicContact CG2-CE 3.82Å; T397-M555 HydrophobicContact CG2-CG 3.67Å; T397-M555 HydrophobicContact CG2-SD 3.36Å; T397-M555 WeakPolarHBondContact CG2-SD 3.21Å; K551-M555 WeakPolarHBondContact O-CG 3.09Å; K551-M555 PolarHBondContact O-N 3.06Å; T552-M555 PolarHBondContact O-N 2.9Å; M555-R559 PolarHBondContact O-N 3.37Å
556L79.4Confident75.8Confident30 Ų3092 Ų9216%0.15746%0.461CS..Hα-helixtrans-63.7-43.2178.6-67.7174.6000111.6T552 R553 S554 R559 N560 L561 L565T552-L556 HydrophobicContact CG2-CD1 4.27Å; T552-L556 WeakPolarHBondContact O-CG 3.32Å; T552-L556 PolarHBondContact O-N 3.27Å; R553-L556 PolarHBondContact O-N 3.49Å; S554-L556 PolarHBondContact O-N 2.89Å; L556-R559 PolarHBondContact O-N 3.34Å; L556-N560 PolarHBondContact O-N 3.38Å; L556-L561 HydrophobicContact CD2-CB 3.87Å; L556-L561 HydrophobicContact CD2-CD1 4.24Å; L556-L561 PolarHBondContact O-N 3.27Å; L556-L565 HydrophobicContact CD2-CB 4Å; L556-L565 HydrophobicContact CD2-CD1 3.49Å; L556-L565 VanDerWaalsContact CD2-CD1 3.49Å; L556-L565 HydrophobicContact CD2-CG 4.24Å
557C76.6Confident75.3Confident94 Ų9495.2 Ų95.264%0.63547%0.468SS*.Hα-helixtrans-63.8-48.4-179.8-174.40000111.9R553 S554 R559 N560R553-C557 WeakPolarHBondContact O-CB 3.37Å; R553-C557 PolarHBondContact O-N 3.46Å; S554-C557 PolarHBondContact O-N 3.28Å; C557-R559 PolarHBondContact O-N 2.95Å; C557-N560 PolarHBondContact O-N 3.27Å; C557-N560 VanDerWaalsContact O-N 3.1Å
558V71.7Confident74.8Confident68 Ų6898.3 Ų98.341%0.41248%0.481SS..Hα-helixtrans-62.5-31.1-179.1168.60000112.9H398 S554H398-V558 WeakPolarHBondContact NE2-CG2 3.32Å; S554-V558 WeakPolarHBondContact O-CG2 3.25Å; S554-V558 PolarHBondContact O-N 3.06Å
559R74.4Confident74.2Confident159 Ų159102.2 Ų102.260%0.650%0.499SS*.THydrogen-bonded Turntrans-93.34.8179.5-66.3-66.4-175175.1-3.8113.9M555 L556 C557 L561M555-R559 PolarHBondContact O-N 3.37Å; L556-R559 PolarHBondContact O-N 3.34Å; C557-R559 PolarHBondContact O-N 2.95Å; R559-L561 HydrophobicContact CB-CD1 3.68Å; R559-L561 HydrophobicContact CB-CG 3.67Å; R559-L561 HydrophobicContact CG-CD1 4.44Å; R559-L561 PolarHBondContact O-N 3.01Å; R559-L561 VanDerWaalsContact O-N 3.13Å
560N74.1Confident73.4Confident152 Ų152106.4 Ų106.481%0.81352%0.517SS*.THydrogen-bonded Turntrans49.334.2-172.8-70.4-41.4000112.7L556 C557L556-N560 PolarHBondContact O-N 3.38Å; C557-N560 PolarHBondContact O-N 3.27Å; C557-N560 VanDerWaalsContact O-N 3.1Å
561L73.2Confident72.7Confident81 Ų81105.1 Ų105.142%0.42451%0.512SS..  trans-79.7145.4179.1-68.3169.6000109.5L556 R559 L565L556-L561 HydrophobicContact CD2-CB 3.87Å; L556-L561 HydrophobicContact CD2-CD1 4.24Å; L556-L561 PolarHBondContact O-N 3.27Å; R559-L561 HydrophobicContact CB-CD1 3.68Å; R559-L561 HydrophobicContact CB-CG 3.67Å; R559-L561 HydrophobicContact CG-CD1 4.44Å; R559-L561 PolarHBondContact O-N 3.01Å; R559-L561 VanDerWaalsContact O-N 3.13Å; L561-L565 HydrophobicContact CB-CD1 3.74Å; L561-L565 HydrophobicContact CD1-CD1 3.66Å; L561-L565 HydrophobicContact CD2-CD1 4.27Å; L561-L565 HydrophobicContact CG-CD1 4.08Å
562P66.2Low71.9Confident80 Ų80108.3 Ų108.352%0.51953%0.53SS..  trans-60149.7175.725.9-33.2000110R564P562-R564 PolarHBondContact O-N 3.19Å
563K64.3Low71Confident178 Ų178111.4 Ų111.477%0.77454%0.539SS*.SBendtrans-60.8-2.8173.5-63.6-177179.3-179.50114
564R56.9Low70.2Confident208 Ų208106.2 Ų106.279%0.78553%0.529SS*.  trans-101.580.5178.2-61.5-179.4-176.8-177.30.1108.1P562P562-R564 PolarHBondContact O-N 3.19Å
565L46.9Very low69.4Low101 Ų101111.7 Ų111.753%0.52955%0.548SS..  trans-141.70168.9-79.6179.4000109.4S451 V452 L556 L561S451-L565 WeakPolarHBondContact CA-OXT 3.39Å; V452-L565 HydrophobicContact CG2-CB 4.49Å; V452-L565 HydrophobicContact CG2-CD2 3.85Å; V452-L565 WeakPolarHBondContact CG2-OXT 3.44Å; V452-L565 PolarHBondContact N-OXT 3.26Å; L556-L565 HydrophobicContact CD2-CB 4Å; L556-L565 HydrophobicContact CD2-CD1 3.49Å; L556-L565 VanDerWaalsContact CD2-CD1 3.49Å; L556-L565 HydrophobicContact CD2-CG 4.24Å; L561-L565 HydrophobicContact CB-CD1 3.74Å; L561-L565 HydrophobicContact CD1-CD1 3.66Å; L561-L565 HydrophobicContact CD2-CD1 4.27Å; L561-L565 HydrophobicContact CG-CD1 4.08Å

Retrieved 565 of 565 residues in 364.2 ms (Link to these results)

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