A0A5K4F035_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F035, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,323 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
1M37.3Very low72.8Confident228 Ų22854 Ų54100%1.12330%0.297SS*.  0143.50-54.8-175.9-161.700107.4F3M1-F3 PolarHBondContact O-N 3.36Å
2A57.1Low72.5Confident88 Ų8853.2 Ų53.273%0.72729%0.286SS*.  trans-75.8124.317400000109.5
3F68.8Low73.1Confident49 Ų4952.8 Ų52.822%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-104.2138.5-175.7-177.5-92.3000109.4M1 F5 V18 F22 I73 V74 S75M1-F3 PolarHBondContact O-N 3.36Å; F3-F5 HydrophobicContact CD1-CD1 4Å; F3-F5 HydrophobicContact CD1-CE1 4.48Å; F3-F5 AromaticContact CE1-CD1 3.7Å; F3-F5 HydrophobicContact CE1-CD1 3.7Å; F3-F5 HydrophobicContact CE1-CE1 4.33Å; F3-V18 HydrophobicContact CB-CB 4.47Å; F3-V18 PolarHBondContact N-O 2.88Å; F3-V18 PolarHBondContact O-N 3.13Å; F3-F22 HydrophobicContact CD1-CE1 4.19Å; F3-F22 HydrophobicContact CD1-CZ 4.35Å; F3-F22 HydrophobicContact CE1-CE1 4.43Å; F3-F22 HydrophobicContact CE1-CZ 4.15Å; F3-I73 HydrophobicContact CE1-CG2 3.72Å; F3-I73 HydrophobicContact CZ-CB 4.42Å; F3-I73 HydrophobicContact CZ-CG2 3.88Å; F3-I73 WeakPolarHBondContact CZ-O 3.36Å; F3-V74 VanDerWaalsContact CZ-C 3.47Å; F3-S75 VanDerWaalsContact CE2-N 3.27Å
4A79.5Confident73.6Confident23 Ų2349.1 Ų49.119%0.1926%0.262CS..EExtended strand (participates in β ladder)trans-144.6141.7-177.500000113.1V16 Y17 S75 G76A4-V16 WeakPolarHBondContact CA-O 3.31Å; A4-V16 WeakPolarHBondContact CB-O 3.34Å; A4-Y17 HydrophobicContact CB-CD1 3.84Å; A4-Y17 HydrophobicContact CB-CE1 4.17Å; A4-S75 PolarHBondContact N-OG 2.96Å; A4-S75 CarbonylContact O-C 3.27Å; A4-S75 VanDerWaalsContact O-CA 3.31Å; A4-S75 WeakPolarHBondContact O-CA 3.35Å; A4-S75 PolarHBondContact O-OG 3.33Å; A4-G76 PolarHBondContact O-N 3.42Å
5F84.5Confident74.1Confident0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-147.9-178.2-178.962.1-86.1000110.3F3 L7 V16 V18 I27 I73 I79F3-F5 HydrophobicContact CD1-CD1 4Å; F3-F5 HydrophobicContact CD1-CE1 4.48Å; F3-F5 AromaticContact CE1-CD1 3.7Å; F3-F5 HydrophobicContact CE1-CD1 3.7Å; F3-F5 HydrophobicContact CE1-CE1 4.33Å; F5-L7 HydrophobicContact CE2-CD2 4.19Å; F5-L7 HydrophobicContact CE2-CG 4.02Å; F5-V16 HydrophobicContact CD1-CB 4.38Å; F5-V16 HydrophobicContact CD2-CB 4.28Å; F5-V16 HydrophobicContact CE1-CB 3.94Å; F5-V16 HydrophobicContact CE1-CG1 3.83Å; F5-V16 HydrophobicContact CE2-CB 3.83Å; F5-V16 HydrophobicContact CE2-CG1 4.23Å; F5-V16 HydrophobicContact CE2-CG2 3.91Å; F5-V16 HydrophobicContact CZ-CB 3.62Å; F5-V16 HydrophobicContact CZ-CG1 3.55Å; F5-V16 HydrophobicContact CZ-CG2 4.09Å; F5-V16 PolarHBondContact N-O 3.23Å; F5-V16 VanDerWaalsContact N-O 3.09Å; F5-V16 PolarHBondContact O-N 2.7Å; F5-V18 HydrophobicContact CE1-CG2 3.88Å; F5-I27 HydrophobicContact CE1-CD1 3.82Å; F5-I27 HydrophobicContact CE2-CG2 4.21Å; F5-I27 HydrophobicContact CZ-CD1 3.5Å; F5-I27 HydrophobicContact CZ-CG2 4.07Å; F5-I73 HydrophobicContact CB-CG2 4.34Å; F5-I73 HydrophobicContact CD1-CG2 4.04Å; F5-I73 HydrophobicContact CD2-CG2 4.49Å; F5-I73 HydrophobicContact CG-CG2 4.04Å; F5-I79 HydrophobicContact CD2-CD1 3.66Å; F5-I79 HydrophobicContact CD2-CG1 4.18Å; F5-I79 HydrophobicContact CE2-CD1 3.71Å
6F84.5Confident74.7Confident60 Ų6044.1 Ų44.126%0.26324%0.237SC..EExtended strand (participates in β ladder)trans-118.6133179.1-61.7-85.5000112Q13 A14 C15 C77 V78 I79F6-Q13 HydrophobicContact CB-CG 3.85Å; F6-Q13 HydrophobicContact CD1-CG 4Å; F6-Q13 VanDerWaalsContact CD1-OE1 3.31Å; F6-Q13 HydrophobicContact CG-CG 4.28Å; F6-A14 WeakPolarHBondContact CA-O 3.4Å; F6-C15 HydrophobicContact CD1-CB 3.89Å; F6-C15 HydrophobicContact CE1-CB 3.71Å; F6-C77 PolarHBondContact N-O 2.85Å; F6-V78 HydrophobicContact CB-CG2 4.32Å; F6-I79 PolarHBondContact O-N 3.39Å
7L88.9Confident75Confident0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-95.6133.5164.5-74.8172.1000109F5 Q13 A14 V16 A30 A31 V34 I79 I81F5-L7 HydrophobicContact CE2-CD2 4.19Å; F5-L7 HydrophobicContact CE2-CG 4.02Å; L7-Q13 CarbonylContact O-C 3.44Å; L7-Q13 VanDerWaalsContact O-CA 3.31Å; L7-Q13 WeakPolarHBondContact O-CA 3.39Å; L7-Q13 WeakPolarHBondContact O-CG 3.44Å; L7-A14 PolarHBondContact N-O 3.3Å; L7-A14 PolarHBondContact O-N 2.81Å; L7-V16 HydrophobicContact CB-CG2 4.3Å; L7-V16 HydrophobicContact CD1-CG2 3.46Å; L7-V16 VanDerWaalsContact CD1-CG2 3.46Å; L7-V16 HydrophobicContact CG-CG2 3.68Å; L7-A30 HydrophobicContact CD1-CB 4.02Å; L7-A31 HydrophobicContact CD1-CB 4.24Å; L7-A31 HydrophobicContact CD2-CB 3.93Å; L7-V34 HydrophobicContact CB-CG2 4.37Å; L7-V34 HydrophobicContact CD1-CG2 3.93Å; L7-I79 HydrophobicContact CD2-CB 4.19Å; L7-I79 HydrophobicContact CD2-CG2 4.22Å; L7-I81 HydrophobicContact CB-CD1 4.16Å; L7-I81 HydrophobicContact CD2-CD1 4.32Å; L7-I81 HydrophobicContact CD2-CG1 4.23Å
8Q84.3Confident75.2Confident28 Ų2844.1 Ų44.113%0.13123%0.23CC..EExtended strand (participates in β ladder)trans-130.4124.3-174.9-179164.7-62.700111.5Y12 Q13 V78 I79 Q80 I81 I247Q8-Y12 CarbonylContact C-O 3.48Å; Q8-Y12 WeakPolarHBondContact CA-O 3.38Å; Q8-Q13 HydrophobicContact CB-CG 4.36Å; Q8-V78 HydrophobicContact CB-CG1 3.88Å; Q8-I79 PolarHBondContact N-O 3Å; Q8-Q80 PolarHBondContact O-NE2 2.88Å; Q8-I81 WeakPolarHBondContact O-CB 3.3Å; Q8-I81 PolarHBondContact O-N 3.43Å; Q8-I247 HydrophobicContact CG-CD1 3.71Å
9L82.3Confident74.8Confident6 Ų647 Ų473%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-121115.7171.7-178.768.9000108.7T11 Y12 V35 L38 V39 I81 L83L9-T11 PolarHBondContact O-N 2.81Å; L9-Y12 PolarHBondContact N-O 2.89Å; L9-Y12 WeakPolarHBondContact O-CA 3.47Å; L9-Y12 PolarHBondContact O-N 3.37Å; L9-V35 HydrophobicContact CD2-CG2 4.1Å; L9-L38 HydrophobicContact CB-CD1 3.95Å; L9-L38 HydrophobicContact CD2-CB 4.09Å; L9-L38 HydrophobicContact CD2-CD1 3.73Å; L9-L38 HydrophobicContact CG-CD1 4.33Å; L9-V39 HydrophobicContact CD2-CG2 3.78Å; L9-I81 HydrophobicContact CB-CB 4.43Å; L9-I81 HydrophobicContact CB-CD1 4.4Å; L9-I81 HydrophobicContact CD1-CB 4.13Å; L9-I81 HydrophobicContact CD1-CG2 4.08Å; L9-L83 HydrophobicContact CD1-CD1 4.16Å; L9-L83 HydrophobicContact CD1-CD2 3.82Å; L9-L83 HydrophobicContact CD1-CG 3.81Å
10E71.5Confident74.4Confident71 Ų7153 Ų5333%0.33227%0.267SS..THydrogen-bonded Turntrans48-118.9-173.2-56-170.4118.900112.4Y12 Q92E10-Y12 VanDerWaalsContact C-N 3.34Å; E10-Q92 PolarHBondContact OE2-NE2 3.31Å
11T62.5Low74.2Confident41 Ų4157.9 Ų57.925%0.25229%0.293SS..THydrogen-bonded Turntrans-87.44177.9540000113.3L9 P246 I247 W264L9-T11 PolarHBondContact O-N 2.81Å; T11-P246 CarbonylContact O-C 3.51Å; T11-P246 VanDerWaalsContact O-CA 3.25Å; T11-P246 WeakPolarHBondContact O-CA 3.45Å; T11-I247 WeakPolarHBondContact O-CG1 3.4Å; T11-I247 PolarHBondContact O-N 3.12Å; T11-W264 HydrophobicContact CG2-CH2 3.81Å; T11-W264 HydrophobicContact CG2-CZ2 3.41Å; T11-W264 VanDerWaalsContact CG2-CZ2 3.41Å
12Y68.7Low76.3Confident44 Ų4449 Ų4917%0.17325%0.249CC..EExtended strand (participates in β ladder)trans-111139.9-178.2-66.7-88.7000111.7Q8 L9 E10 L38 I244 Q245 P246Q8-Y12 CarbonylContact C-O 3.48Å; Q8-Y12 WeakPolarHBondContact CA-O 3.38Å; L9-Y12 PolarHBondContact N-O 2.89Å; L9-Y12 WeakPolarHBondContact O-CA 3.47Å; L9-Y12 PolarHBondContact O-N 3.37Å; E10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-L38 HydrophobicContact CD1-CD2 3.68Å; Y12-L38 HydrophobicContact CD2-CD1 4.38Å; Y12-L38 HydrophobicContact CD2-CD2 3.92Å; Y12-L38 HydrophobicContact CE1-CD2 4.1Å; Y12-L38 HydrophobicContact CE2-CD2 4.33Å; Y12-L38 HydrophobicContact CG-CD1 4.06Å; Y12-L38 HydrophobicContact CG-CD2 3.57Å; Y12-L38 HydrophobicContact CG-CG 4.47Å; Y12-I244 HydrophobicContact CD1-CG2 4.27Å; Y12-I244 HydrophobicContact CG-CG2 4.47Å; Y12-Q245 CarbonylContact C-O 3.57Å; Y12-Q245 WeakPolarHBondContact CA-O 3.41Å; Y12-P246 HydrophobicContact CD1-CB 4.27Å; Y12-P246 HydrophobicContact CE1-CB 4.17Å
13Q80.2Confident77.7Confident49 Ų4951.7 Ų51.723%0.22925%0.246CC..EExtended strand (participates in β ladder)trans-134.3142.5-178.2-167-177.280.500111.1F6 L7 Q8 I244 Q245 I247F6-Q13 HydrophobicContact CB-CG 3.85Å; F6-Q13 HydrophobicContact CD1-CG 4Å; F6-Q13 VanDerWaalsContact CD1-OE1 3.31Å; F6-Q13 HydrophobicContact CG-CG 4.28Å; L7-Q13 CarbonylContact O-C 3.44Å; L7-Q13 VanDerWaalsContact O-CA 3.31Å; L7-Q13 WeakPolarHBondContact O-CA 3.39Å; L7-Q13 WeakPolarHBondContact O-CG 3.44Å; Q8-Q13 HydrophobicContact CB-CG 4.36Å; Q13-I244 WeakPolarHBondContact O-CA 3.45Å; Q13-Q245 PolarHBondContact N-O 3.32Å; Q13-Q245 PolarHBondContact O-N 3.19Å; Q13-I247 HydrophobicContact CB-CD1 4.15Å; Q13-I247 HydrophobicContact CB-CG1 3.78Å
14A80.5Confident78.5Confident0 Ų051.3 Ų51.30%025%0.246CC..EExtended strand (participates in β ladder)trans-127.7130.5176.500000109.8F6 L7 V34 I241 I244F6-A14 WeakPolarHBondContact CA-O 3.4Å; L7-A14 PolarHBondContact N-O 3.3Å; L7-A14 PolarHBondContact O-N 2.81Å; A14-V34 HydrophobicContact CB-CG2 3.81Å; A14-I241 HydrophobicContact CB-CG2 4.01Å; A14-I244 HydrophobicContact CB-CG1 4.04Å
15C81.3Confident78.9Confident19 Ų1952.3 Ų52.313%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-80.3133172.2-171.70000109.8F6 Y17 G242F6-C15 HydrophobicContact CD1-CB 3.89Å; F6-C15 HydrophobicContact CE1-CB 3.71Å; C15-Y17 HydrophobicContact CB-CE2 4.33Å; C15-G242 WeakPolarHBondContact O-CA 3.33Å; C15-G242 PolarHBondContact O-N 3.07Å
16V82.7Confident79Confident0 Ų053.1 Ų53.10%026%0.263CS..EExtended strand (participates in β ladder)trans-113.3132.2179.1-175.20000109.1A4 F5 L7 V18 I239A4-V16 WeakPolarHBondContact CA-O 3.31Å; A4-V16 WeakPolarHBondContact CB-O 3.34Å; F5-V16 HydrophobicContact CD1-CB 4.38Å; F5-V16 HydrophobicContact CD2-CB 4.28Å; F5-V16 HydrophobicContact CE1-CB 3.94Å; F5-V16 HydrophobicContact CE1-CG1 3.83Å; F5-V16 HydrophobicContact CE2-CB 3.83Å; F5-V16 HydrophobicContact CE2-CG1 4.23Å; F5-V16 HydrophobicContact CE2-CG2 3.91Å; F5-V16 HydrophobicContact CZ-CB 3.62Å; F5-V16 HydrophobicContact CZ-CG1 3.55Å; F5-V16 HydrophobicContact CZ-CG2 4.09Å; F5-V16 PolarHBondContact N-O 3.23Å; F5-V16 VanDerWaalsContact N-O 3.09Å; F5-V16 PolarHBondContact O-N 2.7Å; L7-V16 HydrophobicContact CB-CG2 4.3Å; L7-V16 HydrophobicContact CD1-CG2 3.46Å; L7-V16 VanDerWaalsContact CD1-CG2 3.46Å; L7-V16 HydrophobicContact CG-CG2 3.68Å; V16-V18 HydrophobicContact CG1-CG2 4.36Å; V16-I239 HydrophobicContact CG1-CG2 3.41Å; V16-I239 VanDerWaalsContact CG1-CG2 3.41Å
17Y80.2Confident79.2Confident86 Ų8650.2 Ų50.234%0.33725%0.25SS..EExtended strand (participates in β ladder)trans-113.6138.1175.9-57.5-89.3000110A4 C15 K240 V755A4-Y17 HydrophobicContact CB-CD1 3.84Å; A4-Y17 HydrophobicContact CB-CE1 4.17Å; C15-Y17 HydrophobicContact CB-CE2 4.33Å; Y17-K240 PolarHBondContact N-O 2.72Å; Y17-K240 PolarHBondContact O-N 3.37Å; Y17-V755 VanDerWaalsContact OH-CG1 3.3Å; Y17-V755 WeakPolarHBondContact OH-CG1 3.48Å
18V79.5Confident79.3Confident2 Ų252 Ų521%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-130126.7-178.8-169.10000109.5F3 F5 V16 K20 F22 I238 I239F3-V18 HydrophobicContact CB-CB 4.47Å; F3-V18 PolarHBondContact N-O 2.88Å; F3-V18 PolarHBondContact O-N 3.13Å; F5-V18 HydrophobicContact CE1-CG2 3.88Å; V16-V18 HydrophobicContact CG1-CG2 4.36Å; V18-K20 WeakPolarHBondContact CG1-O 3.28Å; V18-F22 HydrophobicContact CB-CD1 4.4Å; V18-F22 HydrophobicContact CG1-CB 3.8Å; V18-F22 HydrophobicContact CG1-CD1 3.56Å; V18-F22 HydrophobicContact CG1-CE1 4.38Å; V18-F22 HydrophobicContact CG1-CG 3.89Å; V18-I238 HydrophobicContact CG1-CG2 4.03Å; V18-I239 HydrophobicContact CG1-CG1 4.23Å; V18-I239 HydrophobicContact CG2-CD1 4.09Å; V18-I239 HydrophobicContact CG2-CG1 4.1Å
19E67.9Low79.6Confident99 Ų9953.7 Ų53.746%0.46327%0.267SS..  trans-95.3-21.8-170.4-69.1-174.6167.600114.5I238 K240E19-I238 PolarHBondContact N-O 3.47Å; E19-K240 IonicContact OE1-NZ 2.7Å; E19-K240 PolarHBondContact OE1-NZ 3.08Å; E19-K240 IonicContact OE2-NZ 3.46Å; E19-K240 PolarHBondContact OE2-NZ 3.36Å
20K65.7Low79.8Confident167 Ų16753.4 Ų53.473%0.72627%0.265SS*.SBendtrans-146.6-173.2-174.7-66.3-172.1179.8179.30111.2V18 F22V18-K20 WeakPolarHBondContact CG1-O 3.28Å; K20-F22 PolarHBondContact O-N 3.15Å
21N71.4Confident80.7Confident155 Ų15550 Ų5083%0.82925%0.25SC*.  trans-48.4135.2168-61.93.1000110.2
22F81.2Confident81.9Confident42 Ų4248.2 Ų48.218%0.18424%0.239CC..  trans-135.8154.3-178.663.7-86.5000109.4F3 V18 K20 I27 T70 I73 I238F3-F22 HydrophobicContact CD1-CE1 4.19Å; F3-F22 HydrophobicContact CD1-CZ 4.35Å; F3-F22 HydrophobicContact CE1-CE1 4.43Å; F3-F22 HydrophobicContact CE1-CZ 4.15Å; V18-F22 HydrophobicContact CB-CD1 4.4Å; V18-F22 HydrophobicContact CG1-CB 3.8Å; V18-F22 HydrophobicContact CG1-CD1 3.56Å; V18-F22 HydrophobicContact CG1-CE1 4.38Å; V18-F22 HydrophobicContact CG1-CG 3.89Å; K20-F22 PolarHBondContact O-N 3.15Å; F22-I27 HydrophobicContact CD2-CD1 3.66Å; F22-I27 HydrophobicContact CD2-CG1 3.94Å; F22-I27 HydrophobicContact CE2-CD1 3.75Å; F22-I27 HydrophobicContact CE2-CG1 4.04Å; F22-T70 HydrophobicContact CD2-CG2 3.85Å; F22-T70 HydrophobicContact CE2-CG2 3.67Å; F22-I73 HydrophobicContact CE2-CD1 4.37Å; F22-I238 HydrophobicContact CB-CG2 4.06Å
23E85.1Confident82.7Confident144 Ų14448.9 Ų48.967%0.67325%0.246SC*.  trans-104.4163.1175.7-68176.5-162.600110.6G25 D26E23-G25 PolarHBondContact O-N 3.11Å; E23-D26 PolarHBondContact N-OD2 2.84Å; E23-D26 WeakPolarHBondContact O-CB 3.1Å; E23-D26 PolarHBondContact O-N 3.09Å; E23-D26 VanDerWaalsContact O-N 3.15Å
24L86.6Confident82.8Confident42 Ų4246.6 Ų46.622%0.2224%0.235CC..Hα-helixtrans-61.6-33.5-179.8-175.260.6000111.4D26 I27 Y28 V67 T68 T70L24-D26 VanDerWaalsContact C-N 3.31Å; L24-D26 PolarHBondContact O-N 3.43Å; L24-I27 WeakPolarHBondContact O-CB 3.31Å; L24-I27 PolarHBondContact O-N 3.26Å; L24-I27 VanDerWaalsContact O-N 3.11Å; L24-Y28 HydrophobicContact CD1-CD2 4.19Å; L24-Y28 HydrophobicContact CD1-CE2 3.93Å; L24-Y28 HydrophobicContact CD2-CE2 4.2Å; L24-Y28 HydrophobicContact CG-CD2 4.01Å; L24-Y28 HydrophobicContact CG-CE2 3.85Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 3.23Å; L24-V67 HydrophobicContact CD1-CG1 3.65Å; L24-T68 WeakPolarHBondContact CD2-O 3.46Å; L24-T70 HydrophobicContact CB-CG2 4.14Å
25G87.2Confident83Confident44 Ų4446.6 Ų46.645%0.45424%0.235SC..Hα-helixtrans-58.4-37.2175.400000113.7E23 I27 Y28 L29E23-G25 PolarHBondContact O-N 3.11Å; G25-I27 PolarHBondContact O-N 2.98Å; G25-Y28 PolarHBondContact O-N 2.84Å; G25-L29 WeakPolarHBondContact O-CG 3.39Å; G25-L29 PolarHBondContact O-N 3.42Å
26D87.4Confident83Confident16 Ų1649.1 Ų49.19%0.08624%0.244CC..Hα-helixtrans-62.1-34.4177.1-62.5-54.5000111.7E23 L24 A30 Y235 I239E23-D26 PolarHBondContact N-OD2 2.84Å; E23-D26 WeakPolarHBondContact O-CB 3.1Å; E23-D26 PolarHBondContact O-N 3.09Å; E23-D26 VanDerWaalsContact O-N 3.15Å; L24-D26 VanDerWaalsContact C-N 3.31Å; L24-D26 PolarHBondContact O-N 3.43Å; D26-A30 WeakPolarHBondContact O-CB 3.34Å; D26-A30 PolarHBondContact O-N 3.18Å; D26-Y235 HydrophobicContact CB-CD2 4.37Å; D26-I239 HydrophobicContact CB-CD1 3.47Å; D26-I239 VanDerWaalsContact CB-CD1 3.47Å; D26-I239 HydrophobicContact CB-CG1 4.15Å
27I87.9Confident82.7Confident0 Ų054.2 Ų54.20%027%0.266CS..Hα-helixtrans-73-40.9179.6-49.1-67.8000110.9F5 F22 L24 G25 A30 A31 L53 I73 I79 I239F5-I27 HydrophobicContact CE1-CD1 3.82Å; F5-I27 HydrophobicContact CE2-CG2 4.21Å; F5-I27 HydrophobicContact CZ-CD1 3.5Å; F5-I27 HydrophobicContact CZ-CG2 4.07Å; F22-I27 HydrophobicContact CD2-CD1 3.66Å; F22-I27 HydrophobicContact CD2-CG1 3.94Å; F22-I27 HydrophobicContact CE2-CD1 3.75Å; F22-I27 HydrophobicContact CE2-CG1 4.04Å; L24-I27 WeakPolarHBondContact O-CB 3.31Å; L24-I27 PolarHBondContact O-N 3.26Å; L24-I27 VanDerWaalsContact O-N 3.11Å; G25-I27 PolarHBondContact O-N 2.98Å; I27-A30 PolarHBondContact O-N 3.15Å; I27-A31 WeakPolarHBondContact O-CB 3.41Å; I27-A31 PolarHBondContact O-N 3.49Å; I27-L53 HydrophobicContact CG2-CD1 3.9Å; I27-I73 HydrophobicContact CB-CD1 4.36Å; I27-I73 HydrophobicContact CD1-CD1 4.1Å; I27-I73 HydrophobicContact CG1-CD1 3.79Å; I27-I73 HydrophobicContact CG2-CD1 3.94Å; I27-I79 HydrophobicContact CG2-CD1 4.22Å; I27-I239 HydrophobicContact CD1-CD1 3.82Å
28Y92Very high82.2Confident37 Ų3750.9 Ų50.915%0.14525%0.254CS..Hα-helixtrans-66.5-39.1174.3-85.1-100.6000111.7L24 G25 A31 A32 I51 L53L24-Y28 HydrophobicContact CD1-CD2 4.19Å; L24-Y28 HydrophobicContact CD1-CE2 3.93Å; L24-Y28 HydrophobicContact CD2-CE2 4.2Å; L24-Y28 HydrophobicContact CG-CD2 4.01Å; L24-Y28 HydrophobicContact CG-CE2 3.85Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 3.23Å; G25-Y28 PolarHBondContact O-N 2.84Å; Y28-A31 PolarHBondContact O-N 3.07Å; Y28-A32 PolarHBondContact O-N 3.25Å; Y28-I51 HydrophobicContact CD1-CD1 4.17Å; Y28-I51 HydrophobicContact CD1-CG1 3.94Å; Y28-I51 HydrophobicContact CE1-CG1 4.38Å; Y28-L53 HydrophobicContact CD1-CD1 4.27Å; Y28-L53 HydrophobicContact CD1-CG 4.29Å; Y28-L53 HydrophobicContact CD2-CD1 3.75Å; Y28-L53 HydrophobicContact CD2-CG 4.46Å; Y28-L53 HydrophobicContact CE1-CD1 4.24Å; Y28-L53 HydrophobicContact CE1-CG 3.93Å; Y28-L53 HydrophobicContact CE2-CD1 3.74Å; Y28-L53 HydrophobicContact CE2-CG 4.13Å; Y28-L53 HydrophobicContact CG-CD1 4.02Å
29L89.4Confident81.8Confident63 Ų6351.3 Ų51.333%0.3326%0.256SS..Hα-helixtrans-59.8-45.5170.4-73.2170.6000111.3G25 A31 A32 D33 V48 Y235G25-L29 WeakPolarHBondContact O-CG 3.39Å; G25-L29 PolarHBondContact O-N 3.42Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.31Å; L29-A32 PolarHBondContact O-N 3.03Å; L29-D33 WeakPolarHBondContact O-CB 3.28Å; L29-D33 PolarHBondContact O-N 3.39Å; L29-V48 HydrophobicContact CD2-CG2 4.02Å; L29-Y235 HydrophobicContact CB-CD2 4.1Å; L29-Y235 HydrophobicContact CB-CE2 3.94Å; L29-Y235 HydrophobicContact CD1-CD2 4.33Å; L29-Y235 HydrophobicContact CD1-CG 4.39Å
30A87.9Confident81.8Confident0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-63-38.3177.300000113.1L7 D26 I27 D33 V34 Y235 I239 I241L7-A30 HydrophobicContact CD1-CB 4.02Å; D26-A30 WeakPolarHBondContact O-CB 3.34Å; D26-A30 PolarHBondContact O-N 3.18Å; I27-A30 PolarHBondContact O-N 3.15Å; A30-D33 PolarHBondContact O-N 3.19Å; A30-V34 WeakPolarHBondContact O-CG2 3.45Å; A30-V34 PolarHBondContact O-N 3.47Å; A30-V34 VanDerWaalsContact O-N 3.15Å; A30-Y235 WeakPolarHBondContact CA-OH 3.43Å; A30-Y235 HydrophobicContact CB-CE2 4.17Å; A30-I239 HydrophobicContact CB-CG2 4.14Å; A30-I241 HydrophobicContact CB-CD1 4.02Å; A30-I241 HydrophobicContact CB-CG1 4.12Å; A30-I241 WeakPolarHBondContact O-CD1 3.47Å
31A90.4Very high81.9Confident0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-66.3-44.2174.900000112.5L7 I27 Y28 L29 D33 V34 V35 I51 L53 I81L7-A31 HydrophobicContact CD1-CB 4.24Å; L7-A31 HydrophobicContact CD2-CB 3.93Å; I27-A31 WeakPolarHBondContact O-CB 3.41Å; I27-A31 PolarHBondContact O-N 3.49Å; Y28-A31 PolarHBondContact O-N 3.07Å; L29-A31 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 3.31Å; A31-D33 VanDerWaalsContact C-N 3.26Å; A31-D33 PolarHBondContact O-N 3.42Å; A31-V34 WeakPolarHBondContact O-CB 3.49Å; A31-V34 PolarHBondContact O-N 2.87Å; A31-V34 VanDerWaalsContact O-N 3.08Å; A31-V35 WeakPolarHBondContact O-CG2 3.28Å; A31-V35 PolarHBondContact O-N 3.34Å; A31-I51 HydrophobicContact CB-CD1 3.51Å; A31-L53 HydrophobicContact CB-CD1 4.33Å; A31-L53 HydrophobicContact CB-CD2 3.75Å; A31-I81 HydrophobicContact CB-CD1 3.87Å; A31-I81 HydrophobicContact CB-CG1 4.08Å
32A87.9Confident81.7Confident4 Ų444 Ų443%0.03322%0.219CC..Hα-helixtrans-59.6-39173.900000111.8Y28 L29 V34 V35 K36 I47 V48 I51Y28-A32 PolarHBondContact O-N 3.25Å; L29-A32 PolarHBondContact O-N 3.03Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.49Å; A32-V35 PolarHBondContact O-N 3.26Å; A32-K36 WeakPolarHBondContact O-CG 3.47Å; A32-K36 PolarHBondContact O-N 3.22Å; A32-I47 HydrophobicContact CB-CB 4.19Å; A32-I47 HydrophobicContact CB-CG2 3.66Å; A32-V48 HydrophobicContact CB-CG2 3.56Å; A32-I51 HydrophobicContact CB-CD1 4.37Å
33D84.1Confident81.2Confident58 Ų5846.9 Ų46.931%0.3124%0.237SC..Hα-helixtrans-68.9-20.3177.3-143.250.4000113.5L29 A30 A31 K37 I241L29-D33 WeakPolarHBondContact O-CB 3.28Å; L29-D33 PolarHBondContact O-N 3.39Å; A30-D33 PolarHBondContact O-N 3.19Å; A31-D33 VanDerWaalsContact C-N 3.26Å; A31-D33 PolarHBondContact O-N 3.42Å; D33-K37 VanDerWaalsContact O-CD 3.28Å; D33-K37 WeakPolarHBondContact O-CD 3.45Å; D33-K37 WeakPolarHBondContact O-CE 3.44Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-NZ 3.34Å; D33-K37 IonicContact OD2-NZ 3.04Å; D33-K37 PolarHBondContact OD2-NZ 3.33Å; D33-I241 HydrophobicContact CB-CD1 3.68Å
34V83.5Confident80.5Confident0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-79.7-44.1168.3169.30000110.7L7 A14 A30 A31 A32 K37 L38 I81 I241 I244L7-V34 HydrophobicContact CB-CG2 4.37Å; L7-V34 HydrophobicContact CD1-CG2 3.93Å; A14-V34 HydrophobicContact CB-CG2 3.81Å; A30-V34 WeakPolarHBondContact O-CG2 3.45Å; A30-V34 PolarHBondContact O-N 3.47Å; A30-V34 VanDerWaalsContact O-N 3.15Å; A31-V34 WeakPolarHBondContact O-CB 3.49Å; A31-V34 PolarHBondContact O-N 2.87Å; A31-V34 VanDerWaalsContact O-N 3.08Å; A32-V34 VanDerWaalsContact C-N 3.26Å; A32-V34 PolarHBondContact O-N 3.49Å; V34-K37 PolarHBondContact O-N 3.3Å; V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 PolarHBondContact O-N 3.19Å; V34-I81 HydrophobicContact CB-CD1 4.13Å; V34-I81 HydrophobicContact CG1-CD1 4.01Å; V34-I241 HydrophobicContact CG2-CG2 3.96Å; V34-I244 HydrophobicContact CB-CD1 4.44Å; V34-I244 HydrophobicContact CG1-CD1 4.07Å
35V83.9Confident79.8Confident0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-59.3-49.3177.5176.80000111.1L9 A31 A32 K37 L38 V39 I47 I51 I81 L83L9-V35 HydrophobicContact CD2-CG2 4.1Å; A31-V35 WeakPolarHBondContact O-CG2 3.28Å; A31-V35 PolarHBondContact O-N 3.34Å; A32-V35 PolarHBondContact O-N 3.26Å; V35-K37 PolarHBondContact O-N 2.78Å; V35-K37 VanDerWaalsContact O-N 3.1Å; V35-L38 PolarHBondContact O-N 2.99Å; V35-V39 HydrophobicContact CG1-CB 4.13Å; V35-V39 HydrophobicContact CG1-CG2 4.27Å; V35-V39 WeakPolarHBondContact O-CB 3.32Å; V35-V39 PolarHBondContact O-N 3.47Å; V35-I47 HydrophobicContact CB-CG2 3.95Å; V35-I47 HydrophobicContact CG1-CD1 4.37Å; V35-I47 HydrophobicContact CG1-CG2 3.97Å; V35-I47 HydrophobicContact CG2-CG2 4.37Å; V35-I51 HydrophobicContact CG2-CG2 4.17Å; V35-I81 HydrophobicContact CG2-CD1 4.43Å; V35-I81 HydrophobicContact CG2-CG2 3.89Å; V35-L83 HydrophobicContact CG1-CD2 3.93Å; V35-L83 HydrophobicContact CG2-CD2 3.68Å
36K80.9Confident79.4Confident73 Ų7351 Ų5132%0.31725%0.252SS..Hα-helixtrans-54.5-31.3178.8-72.5176.7178.3-142.80114.3A32 E44 I47A32-K36 WeakPolarHBondContact O-CG 3.47Å; A32-K36 PolarHBondContact O-N 3.22Å; K36-E44 HydrophobicContact CD-CG 4.42Å; K36-E44 WeakPolarHBondContact CD-OE2 3.34Å; K36-E44 VanDerWaalsContact CE-O 3.25Å; K36-E44 WeakPolarHBondContact CE-O 3.38Å; K36-E44 VanDerWaalsContact CE-OE2 3.29Å; K36-E44 WeakPolarHBondContact CE-OE2 3.27Å; K36-E44 HydrophobicContact CG-CG 4.24Å; K36-E44 PolarHBondContact NZ-O 2.75Å; K36-E44 IonicContact NZ-OE2 3.37Å; K36-E44 PolarHBondContact NZ-OE2 3.46Å; K36-I47 HydrophobicContact CD-CD1 4.46Å; K36-I47 HydrophobicContact CG-CD1 3.53Å
37K76.2Confident79.1Confident107 Ų10750.3 Ų50.347%0.46525%0.248SC..Hα-helixtrans-84.7-14.7-179.6-68.6172.5-168.9118.50113.4D33 V34 V35 I244D33-K37 VanDerWaalsContact O-CD 3.28Å; D33-K37 WeakPolarHBondContact O-CD 3.45Å; D33-K37 WeakPolarHBondContact O-CE 3.44Å; D33-K37 WeakPolarHBondContact O-CG 3.45Å; D33-K37 PolarHBondContact O-NZ 3.34Å; D33-K37 IonicContact OD2-NZ 3.04Å; D33-K37 PolarHBondContact OD2-NZ 3.33Å; V34-K37 PolarHBondContact O-N 3.3Å; V35-K37 PolarHBondContact O-N 2.78Å; V35-K37 VanDerWaalsContact O-N 3.1Å; K37-I244 HydrophobicContact CB-CD1 3.49Å; K37-I244 VanDerWaalsContact CB-CD1 3.49Å; K37-I244 HydrophobicContact CD-CD1 3.92Å; K37-I244 HydrophobicContact CG-CD1 4.33Å
38L71Confident79Confident15 Ų1552.3 Ų52.38%0.07926%0.26CS..Hα-helixtrans-108.3-25.9-179.3-72.2173.7000113.4L9 Y12 V34 V35 I93 I244L9-L38 HydrophobicContact CB-CD1 3.95Å; L9-L38 HydrophobicContact CD2-CB 4.09Å; L9-L38 HydrophobicContact CD2-CD1 3.73Å; L9-L38 HydrophobicContact CG-CD1 4.33Å; Y12-L38 HydrophobicContact CD1-CD2 3.68Å; Y12-L38 HydrophobicContact CD2-CD1 4.38Å; Y12-L38 HydrophobicContact CD2-CD2 3.92Å; Y12-L38 HydrophobicContact CE1-CD2 4.1Å; Y12-L38 HydrophobicContact CE2-CD2 4.33Å; Y12-L38 HydrophobicContact CG-CD1 4.06Å; Y12-L38 HydrophobicContact CG-CD2 3.57Å; Y12-L38 HydrophobicContact CG-CG 4.47Å; V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 PolarHBondContact O-N 3.19Å; V35-L38 PolarHBondContact O-N 2.99Å; L38-I93 HydrophobicContact CD2-CD1 3.99Å; L38-I244 HydrophobicContact CD1-CG2 3.92Å; L38-I244 HydrophobicContact CD2-CG2 3.84Å; L38-I244 HydrophobicContact CG-CD1 4.12Å; L38-I244 HydrophobicContact CG-CG2 4.07Å
39V71.2Confident78.5Confident11 Ų1156 Ų567%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-137.9119.4-164.4-1730000109.2L9 V35 T41 I89L9-V39 HydrophobicContact CD2-CG2 3.78Å; V35-V39 HydrophobicContact CG1-CB 4.13Å; V35-V39 HydrophobicContact CG1-CG2 4.27Å; V35-V39 WeakPolarHBondContact O-CB 3.32Å; V35-V39 PolarHBondContact O-N 3.47Å; V39-T41 HydrophobicContact CB-CG2 4.4Å; V39-T41 HydrophobicContact CG1-CG2 3.68Å; V39-I89 HydrophobicContact CG1-CB 4.03Å; V39-I89 HydrophobicContact CG1-CD1 3.89Å; V39-I89 HydrophobicContact CG1-CG1 3.58Å; V39-I89 HydrophobicContact CG1-CG2 3.68Å
40S66.3Low78.3Confident61 Ų6153.9 Ų53.943%0.42727%0.272SS..EExtended strand (participates in β ladder)trans-79.9124.8170.9-168.40000109.7E90S40-E90 PolarHBondContact O-N 3.41Å
41T68.2Low78.3Confident15 Ų1554.2 Ų54.29%0.09227%0.273CS..  trans-139.7147.7-179.984.30000110.1V39 N43 I87V39-T41 HydrophobicContact CB-CG2 4.4Å; V39-T41 HydrophobicContact CG1-CG2 3.68Å; T41-N43 PolarHBondContact O-N 3.48Å; T41-I87 HydrophobicContact CG2-CG2 3.67Å
42R67.9Low78.3Confident191 Ų19155.3 Ų55.372%0.72128%0.28SS*.SBendtrans-68.5-30.5179.7-66-171.4-179.6-175.51.5114.5E90R42-E90 HydrophobicContact CG-CG 4.46Å; R42-E90 WeakPolarHBondContact CG-OE1 3.35Å; R42-E90 IonicContact CZ-OE1 2.72Å; R42-E90 IonicContact NE-OE1 2.64Å; R42-E90 PolarHBondContact NE-OE1 2.91Å; R42-E90 IonicContact NH2-OE1 3.71Å; R42-E90 PolarHBondContact NH2-OE1 3.21Å
43N70.2Confident78.5Confident104 Ų10455.1 Ų55.156%0.55628%0.278SS*.  trans-111.856.8-168.6-70.4-20.5000111.2T41 S45 K46T41-N43 PolarHBondContact O-N 3.48Å; N43-S45 PolarHBondContact O-N 3.33Å; N43-S45 VanDerWaalsContact O-N 3.07Å; N43-K46 HydrophobicContact CB-CB 4.4Å; N43-K46 PolarHBondContact O-N 3.15Å
44E71.3Confident78.6Confident98 Ų9856 Ų5646%0.45828%0.278SS..G310 helixtrans-51.6-31.8-178.4-90.7-156.8-154.200115K36 K46 I47K36-E44 HydrophobicContact CD-CG 4.42Å; K36-E44 WeakPolarHBondContact CD-OE2 3.34Å; K36-E44 VanDerWaalsContact CE-O 3.25Å; K36-E44 WeakPolarHBondContact CE-O 3.38Å; K36-E44 VanDerWaalsContact CE-OE2 3.29Å; K36-E44 WeakPolarHBondContact CE-OE2 3.27Å; K36-E44 HydrophobicContact CG-CG 4.24Å; K36-E44 PolarHBondContact NZ-O 2.75Å; K36-E44 IonicContact NZ-OE2 3.37Å; K36-E44 PolarHBondContact NZ-OE2 3.46Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-I47 HydrophobicContact CB-CD1 4.49Å; E44-I47 HydrophobicContact CG-CD1 4.29Å
45S72.1Confident78.5Confident98 Ų9856.1 Ų56.169%0.68528%0.279SS*.G310 helixtrans-67.9-30.317850.40000113N43N43-S45 PolarHBondContact O-N 3.33Å; N43-S45 VanDerWaalsContact O-N 3.07Å
46K77.2Confident77.9Confident120 Ų12056.5 Ų56.552%0.52228%0.281SS..G310 helixtrans-92.83.1-177.9-62.7-169.6175.4-173.80113.8N43 E44 V48 D49 N50N43-K46 HydrophobicContact CB-CB 4.4Å; N43-K46 PolarHBondContact O-N 3.15Å; E44-K46 VanDerWaalsContact C-N 3.32Å; K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 3.06Å; K46-D49 PolarHBondContact O-N 3.35Å; K46-N50 PolarHBondContact O-N 2.87Å; K46-N50 PolarHBondContact O-ND2 2.98Å
47I82.3Confident76.7Confident1 Ų157.1 Ų57.11%0.00528%0.283CS..THydrogen-bonded Turntrans-60.1-42.7179.1-67.6173.7000110.4A32 V35 K36 E44 D49 N50 I51A32-I47 HydrophobicContact CB-CB 4.19Å; A32-I47 HydrophobicContact CB-CG2 3.66Å; V35-I47 HydrophobicContact CB-CG2 3.95Å; V35-I47 HydrophobicContact CG1-CD1 4.37Å; V35-I47 HydrophobicContact CG1-CG2 3.97Å; V35-I47 HydrophobicContact CG2-CG2 4.37Å; K36-I47 HydrophobicContact CD-CD1 4.46Å; K36-I47 HydrophobicContact CG-CD1 3.53Å; E44-I47 HydrophobicContact CB-CD1 4.49Å; E44-I47 HydrophobicContact CG-CD1 4.29Å; I47-D49 VanDerWaalsContact C-N 3.31Å; I47-D49 PolarHBondContact O-N 3.08Å; I47-N50 CarbonylContact O-C 3.48Å; I47-N50 PolarHBondContact O-N 3.09Å; I47-I51 HydrophobicContact CG2-CG2 4.08Å; I47-I51 WeakPolarHBondContact O-CG2 3.25Å; I47-I51 PolarHBondContact O-N 3.37Å; I47-I51 VanDerWaalsContact O-N 3.15Å
48V84.8Confident75.7Confident42 Ų4257.6 Ų57.626%0.25529%0.291SS..G310 helixtrans-55.7-44.4179.3178.90000111.6L29 A32 K46 N50 I51L29-V48 HydrophobicContact CD2-CG2 4.02Å; A32-V48 HydrophobicContact CB-CG2 3.56Å; K46-V48 VanDerWaalsContact C-N 3.28Å; K46-V48 PolarHBondContact O-N 3.06Å; V48-N50 PolarHBondContact O-N 3.05Å; V48-I51 WeakPolarHBondContact O-CG1 3.46Å
49D82.8Confident74.6Confident116 Ų11663.4 Ų63.462%0.6232%0.322SS*.G310 helixtrans-75-12.1-178.7-43.5-39.9000113.6K46 I47K46-D49 PolarHBondContact O-N 3.35Å; I47-D49 VanDerWaalsContact C-N 3.31Å; I47-D49 PolarHBondContact O-N 3.08Å
50N83.8Confident73.3Confident18 Ų1866 Ų6610%0.09634%0.338CS..G310 helixtrans-123.916.4-171.3-66.1-80.9000113.3K46 I47 V48 N84 K86 I87K46-N50 PolarHBondContact O-N 2.87Å; K46-N50 PolarHBondContact O-ND2 2.98Å; I47-N50 CarbonylContact O-C 3.48Å; I47-N50 PolarHBondContact O-N 3.09Å; V48-N50 PolarHBondContact O-N 3.05Å; N50-N84 HydrophobicContact CB-CB 4.38Å; N50-N84 VanDerWaalsContact O-CB 3.28Å; N50-N84 WeakPolarHBondContact O-CB 3.47Å; N50-N84 PolarHBondContact O-N 2.99Å; N50-K86 WeakPolarHBondContact OD1-CB 3.44Å; N50-K86 WeakPolarHBondContact OD1-CD 3.34Å; N50-I87 HydrophobicContact CB-CD1 3.83Å; N50-I87 HydrophobicContact CB-CG1 3.66Å; N50-I87 VanDerWaalsContact O-CD1 3.28Å; N50-I87 WeakPolarHBondContact O-CD1 3.41Å
51I89.1Confident72.1Confident6 Ų668.8 Ų68.83%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-107.5144.7164.857.1176.2000110.1Y28 A31 A32 V35 I47 V48 L53 I81 V82 L83 I87Y28-I51 HydrophobicContact CD1-CD1 4.17Å; Y28-I51 HydrophobicContact CD1-CG1 3.94Å; Y28-I51 HydrophobicContact CE1-CG1 4.38Å; A31-I51 HydrophobicContact CB-CD1 3.51Å; A32-I51 HydrophobicContact CB-CD1 4.37Å; V35-I51 HydrophobicContact CG2-CG2 4.17Å; I47-I51 HydrophobicContact CG2-CG2 4.08Å; I47-I51 WeakPolarHBondContact O-CG2 3.25Å; I47-I51 PolarHBondContact O-N 3.37Å; I47-I51 VanDerWaalsContact O-N 3.15Å; V48-I51 WeakPolarHBondContact O-CG1 3.46Å; I51-L53 HydrophobicContact CD1-CD2 4.49Å; I51-I81 HydrophobicContact CB-CG2 4.16Å; I51-I81 HydrophobicContact CG2-CG2 3.93Å; I51-V82 WeakPolarHBondContact CA-O 3.41Å; I51-L83 HydrophobicContact CG2-CD2 3.77Å; I51-I87 HydrophobicContact CG2-CD1 4.1Å
52T89.4Confident71.3Confident23 Ų2375.5 Ų75.514%0.14138%0.383CS..EExtended strand (participates in β ladder)trans-118.7132.2169.7-49.50000108.5Y54 Q66 V82 N84T52-Y54 HydrophobicContact CG2-CD2 4.16Å; T52-Y54 HydrophobicContact CG2-CE2 3.44Å; T52-Y54 VanDerWaalsContact CG2-CE2 3.44Å; T52-Q66 HydrophobicContact CG2-CG 4.15Å; T52-V82 PolarHBondContact N-O 3.29Å; T52-V82 PolarHBondContact O-N 3.33Å; T52-N84 PolarHBondContact OG1-OD1 2.97Å; T52-N84 VanDerWaalsContact OG1-OD1 3.09Å
53L91.9Very high70.8Confident0 Ų066.9 Ų66.90%035%0.353CS..EExtended strand (participates in β ladder)trans-101.7126.3-178-60.7-172.5000110.6I27 Y28 A31 I51 V67 I79 I81I27-L53 HydrophobicContact CG2-CD1 3.9Å; Y28-L53 HydrophobicContact CD1-CD1 4.27Å; Y28-L53 HydrophobicContact CD1-CG 4.29Å; Y28-L53 HydrophobicContact CD2-CD1 3.75Å; Y28-L53 HydrophobicContact CD2-CG 4.46Å; Y28-L53 HydrophobicContact CE1-CD1 4.24Å; Y28-L53 HydrophobicContact CE1-CG 3.93Å; Y28-L53 HydrophobicContact CE2-CD1 3.74Å; Y28-L53 HydrophobicContact CE2-CG 4.13Å; Y28-L53 HydrophobicContact CG-CD1 4.02Å; A31-L53 HydrophobicContact CB-CD1 4.33Å; A31-L53 HydrophobicContact CB-CD2 3.75Å; I51-L53 HydrophobicContact CD1-CD2 4.49Å; L53-V67 HydrophobicContact CB-CB 4.11Å; L53-V67 HydrophobicContact CB-CG2 4.1Å; L53-V67 PolarHBondContact O-N 3.09Å; L53-I79 HydrophobicContact CB-CG2 3.73Å; L53-I79 HydrophobicContact CD1-CG2 4.33Å; L53-I79 HydrophobicContact CD2-CG2 4.05Å; L53-I79 HydrophobicContact CG-CG2 4.24Å; L53-I81 HydrophobicContact CD2-CB 4.38Å; L53-I81 HydrophobicContact CD2-CG1 3.94Å; L53-I81 HydrophobicContact CD2-CG2 4.45Å
54Y86.8Confident70.9Confident78 Ų7866.6 Ų66.631%0.30635%0.345SS..EExtended strand (participates in β ladder)trans-119.1122.1175.2-69.4-95.1000110.3T52 C65 Q66 I79 Q80 V82T52-Y54 HydrophobicContact CG2-CD2 4.16Å; T52-Y54 HydrophobicContact CG2-CE2 3.44Å; T52-Y54 VanDerWaalsContact CG2-CE2 3.44Å; Y54-C65 CarbonylContact C-O 3.5Å; Y54-C65 WeakPolarHBondContact CA-O 3.42Å; Y54-Q66 HydrophobicContact CD1-CB 4.16Å; Y54-Q66 HydrophobicContact CE1-CB 3.94Å; Y54-I79 CarbonylContact O-C 2.99Å; Y54-I79 WeakPolarHBondContact O-CA 3.12Å; Y54-Q80 PolarHBondContact N-O 2.92Å; Y54-Q80 PolarHBondContact O-N 3.35Å; Y54-V82 HydrophobicContact CD2-CB 4.35Å; Y54-V82 HydrophobicContact CD2-CG2 3.66Å; Y54-V82 HydrophobicContact CE2-CB 4.3Å; Y54-V82 HydrophobicContact CE2-CG2 3.94Å
55C82Confident71.2Confident1 Ų165.1 Ų65.11%0.00734%0.344CS..EExtended strand (participates in β ladder)trans-99.8129.8176.8-1800000110K57 C65 V67 I79C55-K57 PolarHBondContact O-N 3.28Å; C55-C65 PolarHBondContact N-O 2.92Å; C55-C65 PolarHBondContact O-N 2.96Å; C55-V67 HydrophobicContact CB-CG2 3.52Å; C55-I79 HydrophobicContact CB-CG1 4.3Å
56N71.1Confident71.8Confident8 Ų865 Ų654%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-84.9103.3166.1-164.1-26000109D58 N59 T60 G63 Y64 V78N56-D58 PolarHBondContact OD1-N 3.31Å; N56-N59 VanDerWaalsContact OD1-CA 3.28Å; N56-N59 WeakPolarHBondContact OD1-CA 3.49Å; N56-N59 PolarHBondContact OD1-N 2.92Å; N56-T60 PolarHBondContact ND2-O 2.91Å; N56-T60 PolarHBondContact OD1-N 3.33Å; N56-T60 PolarHBondContact OD1-O 2.87Å; N56-G63 WeakPolarHBondContact CA-O 3.44Å; N56-Y64 HydrophobicContact CB-CD1 3.88Å; N56-Y64 HydrophobicContact CB-CD2 4.39Å; N56-Y64 HydrophobicContact CB-CE1 3.67Å; N56-Y64 HydrophobicContact CB-CE2 4.2Å; N56-Y64 HydrophobicContact CB-CG 4.24Å; N56-Y64 VanDerWaalsContact ND2-CE2 3.27Å; N56-Y64 WeakPolarHBondContact ND2-CE2 3.41Å; N56-V78 PolarHBondContact N-O 3Å
57K56.1Low72.3Confident86 Ų8659.4 Ų59.437%0.37431%0.309SS..SBendtrans-72.3-35.6-178.6-69.8-174.1178.8-178.90112.1C55 G63 D72C55-K57 PolarHBondContact O-N 3.28Å; K57-G63 PolarHBondContact N-O 2.75Å; K57-D72 WeakPolarHBondContact CE-O 3.4Å; K57-D72 WeakPolarHBondContact CE-OD1 3.49Å; K57-D72 IonicContact NZ-OD1 2.82Å; K57-D72 PolarHBondContact NZ-OD1 2.74Å
58D54.2Low72.5Confident118 Ų11864.1 Ų64.163%0.63134%0.338SS*.SBendtrans-110.70.5-166.5-54.6-30.8000114N56 T60N56-D58 PolarHBondContact OD1-N 3.31Å; D58-T60 HydrophobicContact CB-CG2 3.94Å; D58-T60 PolarHBondContact O-N 3.04Å
59N49Very low72.4Confident136 Ų13663.9 Ų63.973%0.72734%0.338SS*.SBendtrans5520.9-167.1-80.1-38000114.4N56N56-N59 VanDerWaalsContact OD1-CA 3.28Å; N56-N59 WeakPolarHBondContact OD1-CA 3.49Å; N56-N59 PolarHBondContact OD1-N 2.92Å
60T42.5Very low72.4Confident67 Ų6761 Ų6141%0.41132%0.324SS..  trans-89158.817657.90000110.9N56 D58 D62 G63N56-T60 PolarHBondContact ND2-O 2.91Å; N56-T60 PolarHBondContact OD1-N 3.33Å; N56-T60 PolarHBondContact OD1-O 2.87Å; D58-T60 HydrophobicContact CB-CG2 3.94Å; D58-T60 PolarHBondContact O-N 3.04Å; T60-D62 VanDerWaalsContact C-N 3.29Å; T60-D62 PolarHBondContact O-N 3.2Å; T60-G63 PolarHBondContact O-N 2.84Å; T60-G63 VanDerWaalsContact OG1-CA 3.31Å; T60-G63 WeakPolarHBondContact OG1-CA 3.46Å; T60-G63 PolarHBondContact OG1-N 2.91Å
61I41.6Very low72.2Confident119 Ų11964.6 Ų64.661%0.6135%0.351SS*.SBendtrans-64.9-37.4-177.7-66.4171.8000111
62D50.3Low71.8Confident156 Ų15665.3 Ų65.383%0.83436%0.355SS*.SBendtrans-93.4-2.4-177.3-48.1-58.2000113.2T60 Y64T60-D62 VanDerWaalsContact C-N 3.29Å; T60-D62 PolarHBondContact O-N 3.2Å; D62-Y64 VanDerWaalsContact C-N 3.31Å; D62-Y64 PolarHBondContact O-N 3.48Å
63G59.2Low71.4Confident9 Ų964.6 Ų64.69%0.09335%0.35CS..  trans-82.914.3-172.400000116.6N56 K57 T60 C65N56-G63 WeakPolarHBondContact CA-O 3.44Å; K57-G63 PolarHBondContact N-O 2.75Å; T60-G63 PolarHBondContact O-N 2.84Å; T60-G63 VanDerWaalsContact OG1-CA 3.31Å; T60-G63 WeakPolarHBondContact OG1-CA 3.46Å; T60-G63 PolarHBondContact OG1-N 2.91Å; G63-C65 PolarHBondContact O-N 2.81Å
64Y70.7Confident70.6Confident99 Ų9968 Ų6839%0.38837%0.371SS..EExtended strand (participates in β ladder)trans-8197.2177.6-78.2-86000111.2N56 D62 Q80N56-Y64 HydrophobicContact CB-CD1 3.88Å; N56-Y64 HydrophobicContact CB-CD2 4.39Å; N56-Y64 HydrophobicContact CB-CE1 3.67Å; N56-Y64 HydrophobicContact CB-CE2 4.2Å; N56-Y64 HydrophobicContact CB-CG 4.24Å; N56-Y64 VanDerWaalsContact ND2-CE2 3.27Å; N56-Y64 WeakPolarHBondContact ND2-CE2 3.41Å; D62-Y64 VanDerWaalsContact C-N 3.31Å; D62-Y64 PolarHBondContact O-N 3.48Å; Y64-Q80 HydrophobicContact CE1-CB 4.12Å
65C77.8Confident70.1Confident66 Ų6668 Ų6845%0.44638%0.382SS..EExtended strand (participates in β ladder)trans-93.3146.5171-59.20000110.6Y54 C55 G63Y54-C65 CarbonylContact C-O 3.5Å; Y54-C65 WeakPolarHBondContact CA-O 3.42Å; C55-C65 PolarHBondContact N-O 2.92Å; C55-C65 PolarHBondContact O-N 2.96Å; G63-C65 PolarHBondContact O-N 2.81Å
66Q86Confident69.5Low97 Ų9770.1 Ų70.145%0.45340%0.404SS..EExtended strand (participates in β ladder)trans-62.9137.2170.5-175.3176-3.500109.8T52 Y54 T68T52-Q66 HydrophobicContact CG2-CG 4.15Å; Y54-Q66 HydrophobicContact CD1-CB 4.16Å; Y54-Q66 HydrophobicContact CE1-CB 3.94Å; Q66-T68 HydrophobicContact CG-CG2 4.38Å; Q66-T68 PolarHBondContact O-N 2.85Å
67V87.1Confident69.8Low2 Ų270.1 Ų70.11%0.01241%0.405CS..  trans-77111.3174.2-174.20000108.6L24 L53 C55 D72 I73 I79L24-V67 HydrophobicContact CD1-CG1 3.65Å; L53-V67 HydrophobicContact CB-CB 4.11Å; L53-V67 HydrophobicContact CB-CG2 4.1Å; L53-V67 PolarHBondContact O-N 3.09Å; C55-V67 HydrophobicContact CB-CG2 3.52Å; V67-D72 HydrophobicContact CG1-CB 4.14Å; V67-I73 HydrophobicContact CG1-CD1 4.05Å; V67-I73 HydrophobicContact CG1-CG1 3.83Å; V67-I79 HydrophobicContact CG2-CG2 4.33Å
68T86.1Confident71Confident100 Ų10067.1 Ų67.161%0.61339%0.394SS*.  trans-113.6-19-177.559.90000113.3L24 Q66 D72L24-T68 WeakPolarHBondContact CD2-O 3.46Å; Q66-T68 HydrophobicContact CG-CG2 4.38Å; Q66-T68 PolarHBondContact O-N 2.85Å; T68-D72 PolarHBondContact N-OD2 2.78Å; T68-D72 PolarHBondContact OG1-OD2 3.24Å
69S84Confident72.5Confident36 Ų3661.5 Ų61.525%0.25236%0.364SS..SBendtrans-142.8159.8-178.3660000110.5S71 D72S69-S71 WeakPolarHBondContact CB-OG 3.18Å; S69-S71 PolarHBondContact O-N 2.81Å; S69-S71 PolarHBondContact OG-OG 2.79Å; S69-D72 PolarHBondContact N-OD2 2.82Å; S69-D72 WeakPolarHBondContact O-CB 3.44Å; S69-D72 PolarHBondContact O-N 3.26Å; S69-D72 VanDerWaalsContact O-N 3.12Å; S69-D72 PolarHBondContact OG-N 2.93Å; S69-D72 PolarHBondContact OG-OD2 2.94Å
70T82.1Confident74.3Confident55 Ų5556.9 Ų56.934%0.33734%0.338SS..G310 helixtrans-65.9-26.9172.649.20000112.3F22 L24 D72 I73F22-T70 HydrophobicContact CD2-CG2 3.85Å; F22-T70 HydrophobicContact CE2-CG2 3.67Å; L24-T70 HydrophobicContact CB-CG2 4.14Å; T70-D72 PolarHBondContact O-N 3.23Å; T70-I73 PolarHBondContact O-N 3.07Å
71S78.9Confident76.6Confident95 Ų9553.8 Ų53.866%0.66432%0.319SS*.G310 helixtrans-66.1-13.8171.136.60000114.8S69 I73S69-S71 WeakPolarHBondContact CB-OG 3.18Å; S69-S71 PolarHBondContact O-N 2.81Å; S69-S71 PolarHBondContact OG-OG 2.79Å; S71-I73 VanDerWaalsContact C-N 3.26Å
72D80.7Confident78.6Confident20 Ų2051 Ų5111%0.10731%0.307CS..G310 helixtrans-75.6-17.3172.8-66.9-47000112.9K57 V67 T68 S69 T70K57-D72 WeakPolarHBondContact CE-O 3.4Å; K57-D72 WeakPolarHBondContact CE-OD1 3.49Å; K57-D72 IonicContact NZ-OD1 2.82Å; K57-D72 PolarHBondContact NZ-OD1 2.74Å; V67-D72 HydrophobicContact CG1-CB 4.14Å; T68-D72 PolarHBondContact N-OD2 2.78Å; T68-D72 PolarHBondContact OG1-OD2 3.24Å; S69-D72 PolarHBondContact N-OD2 2.82Å; S69-D72 WeakPolarHBondContact O-CB 3.44Å; S69-D72 PolarHBondContact O-N 3.26Å; S69-D72 VanDerWaalsContact O-N 3.12Å; S69-D72 PolarHBondContact OG-N 2.93Å; S69-D72 PolarHBondContact OG-OD2 2.94Å; T70-D72 PolarHBondContact O-N 3.23Å
73I80.9Confident80.2Confident8 Ų845.7 Ų45.74%0.04128%0.278CS..  trans-96.8125.7-176.2-50.3177.3000108.7F3 F5 F22 I27 V67 T70 S71 I79F3-I73 HydrophobicContact CE1-CG2 3.72Å; F3-I73 HydrophobicContact CZ-CB 4.42Å; F3-I73 HydrophobicContact CZ-CG2 3.88Å; F3-I73 WeakPolarHBondContact CZ-O 3.36Å; F5-I73 HydrophobicContact CB-CG2 4.34Å; F5-I73 HydrophobicContact CD1-CG2 4.04Å; F5-I73 HydrophobicContact CD2-CG2 4.49Å; F5-I73 HydrophobicContact CG-CG2 4.04Å; F22-I73 HydrophobicContact CE2-CD1 4.37Å; I27-I73 HydrophobicContact CB-CD1 4.36Å; I27-I73 HydrophobicContact CD1-CD1 4.1Å; I27-I73 HydrophobicContact CG1-CD1 3.79Å; I27-I73 HydrophobicContact CG2-CD1 3.94Å; V67-I73 HydrophobicContact CG1-CD1 4.05Å; V67-I73 HydrophobicContact CG1-CG1 3.83Å; T70-I73 PolarHBondContact O-N 3.07Å; S71-I73 VanDerWaalsContact C-N 3.26Å; I73-I79 HydrophobicContact CD1-CD1 3.92Å; I73-I79 HydrophobicContact CG1-CD1 4.03Å; I73-I79 HydrophobicContact CG2-CD1 4.08Å
74V75.6Confident81.1Confident71 Ų7147.7 Ų47.743%0.4329%0.287SS..  trans-119.5149.9176.6-62.50000110.8F3 G76 C77F3-V74 VanDerWaalsContact CZ-C 3.47Å; V74-G76 PolarHBondContact O-N 3.49Å; V74-C77 HydrophobicContact CG2-CB 3.83Å; V74-C77 WeakPolarHBondContact O-CB 3.31Å; V74-C77 PolarHBondContact O-N 3.4Å; V74-C77 PolarHBondContact O-SG 3.33Å
75S75.4Confident81.1Confident79 Ų7950.2 Ų50.255%0.55231%0.307SS*.THydrogen-bonded Turntrans-65.1124.8-173.7-158.20000110.5F3 A4F3-S75 VanDerWaalsContact CE2-N 3.27Å; A4-S75 PolarHBondContact N-OG 2.96Å; A4-S75 CarbonylContact O-C 3.27Å; A4-S75 VanDerWaalsContact O-CA 3.31Å; A4-S75 WeakPolarHBondContact O-CA 3.35Å; A4-S75 PolarHBondContact O-OG 3.33Å
76G71.1Confident80.7Confident45 Ų4554.4 Ų54.446%0.46432%0.318SS..THydrogen-bonded Turntrans94.7-4.7-176.100000115A4 V74A4-G76 PolarHBondContact O-N 3.42Å; V74-G76 PolarHBondContact O-N 3.49Å
77C76.6Confident79.9Confident8 Ų850.9 Ų50.95%0.05430%0.301CS..  trans-66.1158.4177.974.20000112.6F6 V74F6-C77 PolarHBondContact N-O 2.85Å; V74-C77 HydrophobicContact CG2-CB 3.83Å; V74-C77 WeakPolarHBondContact O-CB 3.31Å; V74-C77 PolarHBondContact O-N 3.4Å; V74-C77 PolarHBondContact O-SG 3.33Å
78V80.6Confident78.8Confident24 Ų2457.7 Ų57.715%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-105.4120.3170.7-176.40000108.7F6 Q8 N56F6-V78 HydrophobicContact CB-CG2 4.32Å; Q8-V78 HydrophobicContact CB-CG1 3.88Å; N56-V78 PolarHBondContact N-O 3Å
79I86.9Confident77.7Confident0 Ų056.9 Ų56.90%032%0.324CS..EExtended strand (participates in β ladder)trans-99.2112.1172.4-56.3-178.6000107.9F5 F6 L7 Q8 I27 L53 Y54 C55 V67 I73 I81F5-I79 HydrophobicContact CD2-CD1 3.66Å; F5-I79 HydrophobicContact CD2-CG1 4.18Å; F5-I79 HydrophobicContact CE2-CD1 3.71Å; F6-I79 PolarHBondContact O-N 3.39Å; L7-I79 HydrophobicContact CD2-CB 4.19Å; L7-I79 HydrophobicContact CD2-CG2 4.22Å; Q8-I79 PolarHBondContact N-O 3Å; I27-I79 HydrophobicContact CG2-CD1 4.22Å; L53-I79 HydrophobicContact CB-CG2 3.73Å; L53-I79 HydrophobicContact CD1-CG2 4.33Å; L53-I79 HydrophobicContact CD2-CG2 4.05Å; L53-I79 HydrophobicContact CG-CG2 4.24Å; Y54-I79 CarbonylContact O-C 2.99Å; Y54-I79 WeakPolarHBondContact O-CA 3.12Å; C55-I79 HydrophobicContact CB-CG1 4.3Å; V67-I79 HydrophobicContact CG2-CG2 4.33Å; I73-I79 HydrophobicContact CD1-CD1 3.92Å; I73-I79 HydrophobicContact CG1-CD1 4.03Å; I73-I79 HydrophobicContact CG2-CD1 4.08Å; I79-I81 PolarHBondContact O-N 3.15Å
80Q86.8Confident76.3Confident39 Ų3959.6 Ų59.618%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-76.5120170.9-172.864.153.200109.3Q8 Y54 Y64 V82Q8-Q80 PolarHBondContact O-NE2 2.88Å; Y54-Q80 PolarHBondContact N-O 2.92Å; Y54-Q80 PolarHBondContact O-N 3.35Å; Y64-Q80 HydrophobicContact CE1-CB 4.12Å; Q80-V82 HydrophobicContact CG-CG2 4.23Å
81I90.7Very high74.7Confident2 Ų265.7 Ų65.71%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-78.2121.4165.7-53.2173.3000106.9L7 Q8 L9 A31 V34 V35 I51 L53 I79 L83L7-I81 HydrophobicContact CB-CD1 4.16Å; L7-I81 HydrophobicContact CD2-CD1 4.32Å; L7-I81 HydrophobicContact CD2-CG1 4.23Å; Q8-I81 WeakPolarHBondContact O-CB 3.3Å; Q8-I81 PolarHBondContact O-N 3.43Å; L9-I81 HydrophobicContact CB-CB 4.43Å; L9-I81 HydrophobicContact CB-CD1 4.4Å; L9-I81 HydrophobicContact CD1-CB 4.13Å; L9-I81 HydrophobicContact CD1-CG2 4.08Å; A31-I81 HydrophobicContact CB-CD1 3.87Å; A31-I81 HydrophobicContact CB-CG1 4.08Å; V34-I81 HydrophobicContact CB-CD1 4.13Å; V34-I81 HydrophobicContact CG1-CD1 4.01Å; V35-I81 HydrophobicContact CG2-CD1 4.43Å; V35-I81 HydrophobicContact CG2-CG2 3.89Å; I51-I81 HydrophobicContact CB-CG2 4.16Å; I51-I81 HydrophobicContact CG2-CG2 3.93Å; L53-I81 HydrophobicContact CD2-CB 4.38Å; L53-I81 HydrophobicContact CD2-CG1 3.94Å; L53-I81 HydrophobicContact CD2-CG2 4.45Å; I79-I81 PolarHBondContact O-N 3.15Å; I81-L83 HydrophobicContact CG2-CD2 4.12Å
82V83.9Confident73.3Confident59 Ų5966 Ų6636%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-109.4123.6170.8-1800000107.5I51 T52 Y54 Q80I51-V82 WeakPolarHBondContact CA-O 3.41Å; T52-V82 PolarHBondContact N-O 3.29Å; T52-V82 PolarHBondContact O-N 3.33Å; Y54-V82 HydrophobicContact CD2-CB 4.35Å; Y54-V82 HydrophobicContact CD2-CG2 3.66Å; Y54-V82 HydrophobicContact CE2-CB 4.3Å; Y54-V82 HydrophobicContact CE2-CG2 3.94Å; Q80-V82 HydrophobicContact CG-CG2 4.23Å
83L83.1Confident71.8Confident46 Ų4669.1 Ų69.124%0.24136%0.356CS..EExtended strand (participates in β ladder)trans-82.5129.9174.3-52.1-175.5000108.7L9 V35 I51 I81 I87 I89L9-L83 HydrophobicContact CD1-CD1 4.16Å; L9-L83 HydrophobicContact CD1-CD2 3.82Å; L9-L83 HydrophobicContact CD1-CG 3.81Å; V35-L83 HydrophobicContact CG1-CD2 3.93Å; V35-L83 HydrophobicContact CG2-CD2 3.68Å; I51-L83 HydrophobicContact CG2-CD2 3.77Å; I81-L83 HydrophobicContact CG2-CD2 4.12Å; L83-I87 HydrophobicContact CB-CD1 4.17Å; L83-I87 HydrophobicContact CD2-CD1 4Å; L83-I89 HydrophobicContact CD1-CD1 4.04Å
84N79.3Confident70.1Confident51 Ų5176.4 Ų76.427%0.27339%0.391SS..  trans-73.1153.5170.7-61.3-15.9000109.6N50 T52 K86 I87N50-N84 HydrophobicContact CB-CB 4.38Å; N50-N84 VanDerWaalsContact O-CB 3.28Å; N50-N84 WeakPolarHBondContact O-CB 3.47Å; N50-N84 PolarHBondContact O-N 2.99Å; T52-N84 PolarHBondContact OG1-OD1 2.97Å; T52-N84 VanDerWaalsContact OG1-OD1 3.09Å; N84-K86 PolarHBondContact O-N 2.93Å; N84-I87 PolarHBondContact O-N 3.36Å
85D70.6Confident69Low151 Ų15176.8 Ų76.881%0.80739%0.393SS*.THydrogen-bonded Turntrans-51-24.2178.561.4-18.2000115.2I87D85-I87 PolarHBondContact O-N 3.02Å
86K69.4Low68.2Low155 Ų15576.2 Ų76.267%0.67439%0.386SS*.THydrogen-bonded Turntrans-66.5-15.3174-67.9168.3-178.7175.30114.7N50 N84 Q88N50-K86 WeakPolarHBondContact OD1-CB 3.44Å; N50-K86 WeakPolarHBondContact OD1-CD 3.34Å; N84-K86 PolarHBondContact O-N 2.93Å; K86-Q88 PolarHBondContact O-N 3.2Å
87I67.8Low68Low22 Ų2275.7 Ų75.711%0.11338%0.38CS..  trans-87.4100.2177.6-60.2-178.2000110.1T41 N50 I51 L83 N84 D85 I89T41-I87 HydrophobicContact CG2-CG2 3.67Å; N50-I87 HydrophobicContact CB-CD1 3.83Å; N50-I87 HydrophobicContact CB-CG1 3.66Å; N50-I87 VanDerWaalsContact O-CD1 3.28Å; N50-I87 WeakPolarHBondContact O-CD1 3.41Å; I51-I87 HydrophobicContact CG2-CD1 4.1Å; L83-I87 HydrophobicContact CB-CD1 4.17Å; L83-I87 HydrophobicContact CD2-CD1 4Å; N84-I87 PolarHBondContact O-N 3.36Å; D85-I87 PolarHBondContact O-N 3.02Å; I87-I89 PolarHBondContact O-N 3.08Å
88Q65.5Low68.1Low145 Ų14576.2 Ų76.268%0.67838%0.382SS*.  trans-77.7116.2173-66.8-175.3-7.800111K86K86-Q88 PolarHBondContact O-N 3.2Å
89I62.6Low68.1Low83 Ų8379.4 Ų79.443%0.42640%0.398SS..  trans-88.3119179-56.6-175000109.6V39 L83 I87V39-I89 HydrophobicContact CG1-CB 4.03Å; V39-I89 HydrophobicContact CG1-CD1 3.89Å; V39-I89 HydrophobicContact CG1-CG1 3.58Å; V39-I89 HydrophobicContact CG1-CG2 3.68Å; L83-I89 HydrophobicContact CD1-CD1 4.04Å; I87-I89 PolarHBondContact O-N 3.08Å
90E54.8Low68.2Low93 Ų9379.7 Ų79.744%0.43540%0.399SS..SBendtrans-89.6-34.5180-65.7-166.3125.500113.3S40 R42S40-E90 PolarHBondContact O-N 3.41Å; R42-E90 HydrophobicContact CG-CG 4.46Å; R42-E90 WeakPolarHBondContact CG-OE1 3.35Å; R42-E90 IonicContact CZ-OE1 2.72Å; R42-E90 IonicContact NE-OE1 2.64Å; R42-E90 PolarHBondContact NE-OE1 2.91Å; R42-E90 IonicContact NH2-OE1 3.71Å; R42-E90 PolarHBondContact NH2-OE1 3.21Å
91R47.7Very low67.9Low184 Ų18483.6 Ų83.669%0.69442%0.417SS*.EExtended strand (participates in β ladder)trans-150133.8177.4-64-173-179.3-178.10.3110.6
92Q49.6Very low67.5Low102 Ų10285.3 Ų85.348%0.47743%0.428SS..EExtended strand (participates in β ladder)trans-103.3145.2172.1-155.2171.615.300108.8E10 Q94E10-Q92 PolarHBondContact OE2-NE2 3.31Å; Q92-Q94 PolarHBondContact O-N 2.65Å
93I48.5Very low67.1Low84 Ų8485.8 Ų85.843%0.43143%0.426SS..PPolyproline II helixtrans-65.1127.2-173.5-66.3172.5000111L38 V95L38-I93 HydrophobicContact CD2-CD1 3.99Å; I93-V95 PolarHBondContact O-N 2.81Å
94Q46.4Very low66.8Low162 Ų16286.1 Ų86.176%0.75743%0.432SS*.PPolyproline II helixtrans-74.9121.2-179.4-164175.128.200111Q92 V96Q92-Q94 PolarHBondContact O-N 2.65Å; Q94-V96 PolarHBondContact O-N 2.92Å
95V51.9Low66.1Low78 Ų7884.3 Ų84.347%0.47342%0.422SS..PPolyproline II helixtrans-78.3120.1-177.5-178.20000110.6I93 T146I93-V95 PolarHBondContact O-N 2.81Å; V95-T146 HydrophobicContact CG1-CG2 3.64Å
96V57.6Low65.5Low68 Ų6889.5 Ų89.541%0.41243%0.43SS..PPolyproline II helixtrans-90.7129.7178.1-178.50000109.9Q94 C147Q94-V96 PolarHBondContact O-N 2.92Å; V96-C147 WeakPolarHBondContact O-CB 3.49Å; V96-C147 PolarHBondContact O-N 3.02Å
97G68.6Low64.5Low33 Ų3385.2 Ų85.234%0.3442%0.42SS..PPolyproline II helixtrans-74.1163.8175.600000113.7N145 C147G97-N145 VanDerWaalsContact CA-OD1 3.28Å; G97-N145 WeakPolarHBondContact CA-OD1 3.29Å; G97-C147 WeakPolarHBondContact O-CB 3.35Å
98H77.6Confident63.7Low20 Ų2089 Ų899%0.09345%0.446CS..PPolyproline II helixtrans-75.8138.2168.7-76.5-95.2000110.6F100 C128 C131 P144 N145H98-F100 HydrophobicContact CB-CD2 4.03Å; H98-F100 HydrophobicContact CB-CE2 3.39Å; H98-F100 HydrophobicContact CB-CZ 3.85Å; H98-F100 AromaticContact CG-CE2 4Å; H98-F100 AromaticContact ND1-CZ 3.87Å; H98-C128 PolarHBondContact ND1-SG 2.79Å; H98-C131 PolarHBondContact CE1-SG 2.96Å; H98-P144 PolarHBondContact CD2-O 2.85Å; H98-P144 VanDerWaalsContact CD2-O 3.29Å; H98-N145 PolarHBondContact N-OD1 2.84Å
99N81.8Confident63.2Low90 Ų9085.4 Ų85.448%0.48143%0.429SS..  trans-117.9105.3175.5174.3-5.6000108.4C128 S129N99-C128 CarbonylContact O-C 3.56Å; N99-C128 WeakPolarHBondContact O-CA 3.34Å; N99-S129 WeakPolarHBondContact CB-OG 2.91Å; N99-S129 PolarHBondContact O-N 2.72Å; N99-S129 PolarHBondContact O-OG 2.86Å
100F88.5Confident63.2Low7 Ų784.7 Ų84.73%0.03142%0.423CS..EExtended strand (participates in β ladder)trans-96.4136.5-172.7-76.6-66.4000113.3H98 L126 C128 F135 A140 I143 L273 P276H98-F100 HydrophobicContact CB-CD2 4.03Å; H98-F100 HydrophobicContact CB-CE2 3.39Å; H98-F100 HydrophobicContact CB-CZ 3.85Å; H98-F100 AromaticContact CG-CE2 4Å; H98-F100 AromaticContact ND1-CZ 3.87Å; F100-L126 HydrophobicContact CB-CB 4.44Å; F100-L126 HydrophobicContact CB-CD1 4.06Å; F100-L126 HydrophobicContact CD1-CB 3.85Å; F100-L126 HydrophobicContact CD1-CD1 4.19Å; F100-L126 HydrophobicContact CG-CB 4.43Å; F100-L126 HydrophobicContact CG-CD1 4.06Å; F100-C128 HydrophobicContact CD1-CB 4.02Å; F100-C128 HydrophobicContact CE1-CB 3.59Å; F100-C128 HydrophobicContact CZ-CB 4.16Å; F100-F135 HydrophobicContact CD1-CD2 4.43Å; F100-F135 AromaticContact CE1-CD2 3.4Å; F100-F135 HydrophobicContact CE1-CD2 3.4Å; F100-F135 VanDerWaalsContact CE1-CD2 3.4Å; F100-F135 AromaticContact CE1-CE2 3.63Å; F100-F135 HydrophobicContact CE1-CE2 3.63Å; F100-F135 HydrophobicContact CE1-CG 4.45Å; F100-F135 AromaticContact CZ-CD2 3.87Å; F100-F135 HydrophobicContact CZ-CD2 3.87Å; F100-F135 AromaticContact CZ-CE2 3.84Å; F100-F135 HydrophobicContact CZ-CE2 3.84Å; F100-A140 HydrophobicContact CD2-CB 4.48Å; F100-A140 HydrophobicContact CE2-CB 4.27Å; F100-A140 HydrophobicContact CZ-CB 4.42Å; F100-I143 HydrophobicContact CE2-CD1 4.23Å; F100-I143 HydrophobicContact CZ-CD1 3.76Å; F100-L273 HydrophobicContact CD2-CD2 3.85Å; F100-L273 HydrophobicContact CE2-CD2 3.65Å; F100-L273 HydrophobicContact CE2-CG 4.37Å; F100-P276 WeakPolarHBondContact O-CG 3.33Å
101Q80.8Confident63.8Low121 Ų12180.4 Ų80.457%0.56540%0.403SS*.EExtended strand (participates in β ladder)trans-125.1144.7171.3-63.8-175.2-3.400110.6H103 L126 R127Q101-H103 PolarHBondContact O-N 3.15Å; Q101-L126 CarbonylContact O-C 3.6Å; Q101-L126 VanDerWaalsContact O-CA 3.24Å; Q101-L126 WeakPolarHBondContact O-CA 3.38Å; Q101-R127 PolarHBondContact N-O 3.42Å; Q101-R127 PolarHBondContact O-N 3.46Å
102V81.4Confident64.9Low38 Ų3873.8 Ų73.823%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-71.5125.3173.4-171.10000109.2R123 G125 L126 P276 T278V102-R123 HydrophobicContact CG1-CB 3.51Å; V102-R123 HydrophobicContact CG1-CG 3.71Å; V102-G125 WeakPolarHBondContact CA-O 3.12Å; V102-L126 HydrophobicContact CG2-CD2 3.98Å; V102-P276 HydrophobicContact CG2-CB 4.05Å; V102-P276 HydrophobicContact CG2-CG 3.72Å; V102-T278 HydrophobicContact CG1-CG2 4.18Å; V102-T278 WeakPolarHBondContact CG1-OG1 3.28Å
103H76Confident65.8Low68 Ų6874.2 Ų74.232%0.31538%0.379SS..EExtended strand (participates in β ladder)trans-123.2143.2-171.8-161.672.7000112.6Q101 Y105 R123 Q124 G125 R127Q101-H103 PolarHBondContact O-N 3.15Å; H103-Y105 HydrophobicContact CB-CE2 4.22Å; H103-Y105 AromaticContact CD2-CD1 3.81Å; H103-Y105 AromaticContact CD2-CE1 3.5Å; H103-Y105 VanDerWaalsContact CD2-CE1 3.5Å; H103-Y105 WeakPolarHBondContact CD2-CE1 3.45Å; H103-Y105 AromaticContact CD2-CZ 3.68Å; H103-R123 CarbonylContact O-C 3.55Å; H103-R123 VanDerWaalsContact O-CA 3.25Å; H103-R123 WeakPolarHBondContact O-CA 3.37Å; H103-Q124 PolarHBondContact O-N 3.43Å; H103-G125 PolarHBondContact N-O 3.38Å; H103-R127 HydrophobicContact CB-CB 4.05Å
104S75.5Confident66.3Low53 Ų5372.6 Ų72.637%0.37138%0.375SS..  trans-104.4118.7176.1-60.60000110.5R123 Q124S104-R123 PolarHBondContact OG-N 2.77Å; S104-Q124 VanDerWaalsContact CA-OE1 3.29Å
105Y65.7Low66.6Low14 Ų1467.2 Ų67.26%0.05536%0.363CS..  trans-95.2142.4176.7-53.1-87.5000110H103 H109 L118 Q124 L126 N134H103-Y105 HydrophobicContact CB-CE2 4.22Å; H103-Y105 AromaticContact CD2-CD1 3.81Å; H103-Y105 AromaticContact CD2-CE1 3.5Å; H103-Y105 VanDerWaalsContact CD2-CE1 3.5Å; H103-Y105 WeakPolarHBondContact CD2-CE1 3.45Å; H103-Y105 AromaticContact CD2-CZ 3.68Å; Y105-H109 HydrophobicContact CD1-CB 3.68Å; Y105-H109 AromaticContact CD1-CD2 3.25Å; Y105-H109 WeakPolarHBondContact CD1-CD2 3.49Å; Y105-H109 AromaticContact CD1-CG 3.3Å; Y105-H109 AromaticContact CD1-ND1 3.79Å; Y105-H109 AromaticContact CD1-NE2 3.72Å; Y105-H109 HydrophobicContact CD2-CB 4.29Å; Y105-H109 HydrophobicContact CE1-CB 4.17Å; Y105-H109 AromaticContact CE1-CD2 3.74Å; Y105-H109 HydrophobicContact CG-CB 3.75Å; Y105-H109 AromaticContact CG-CG 3.67Å; Y105-H109 AromaticContact CG-ND1 3.95Å; Y105-L118 HydrophobicContact CD2-CD1 4.12Å; Y105-L118 HydrophobicContact CE2-CD1 3.5Å; Y105-L118 VanDerWaalsContact CE2-CD1 3.5Å; Y105-Q124 HydrophobicContact CD2-CB 4.18Å; Y105-Q124 PolarHBondContact O-NE2 3.27Å; Y105-L126 PolarHBondContact OH-O 2.76Å; Y105-N134 HydrophobicContact CE1-CB 4.49Å; Y105-N134 WeakPolarHBondContact CE1-OD1 3.11Å; Y105-N134 WeakPolarHBondContact OH-CB 3.25Å; Y105-N134 PolarHBondContact OH-OD1 2.85Å
106R58.1Low67Low259 Ų25968 Ų6898%0.97736%0.362SS*.SBendtrans-91.3-1.1179.5-65-176.9-177.8163.9-1.1114.1
107S47.7Very low67.2Low66 Ų6666.4 Ų66.446%0.46235%0.352SS..SBendtrans-150.2165.6177.4620000109.1H109S107-H109 PolarHBondContact O-N 3.45Å; S107-H109 PolarHBondContact O-ND1 3.47Å; S107-H109 PolarHBondContact OG-CE1 3.24Å; S107-H109 VanDerWaalsContact OG-CE1 3.26Å
108P51.9Low66.9Low102 Ų10265 Ų6566%0.66234%0.337SS*.  trans-59.9108.7-179.4-24.535.2000112.4V117P108-V117 HydrophobicContact CB-CG1 4.5Å
109H53.8Low66.2Low69 Ų6971.5 Ų71.532%0.31937%0.365SS..  trans-105159.6174.9-77.558.7000110.6Y105 S107 L118Y105-H109 HydrophobicContact CD1-CB 3.68Å; Y105-H109 AromaticContact CD1-CD2 3.25Å; Y105-H109 WeakPolarHBondContact CD1-CD2 3.49Å; Y105-H109 AromaticContact CD1-CG 3.3Å; Y105-H109 AromaticContact CD1-ND1 3.79Å; Y105-H109 AromaticContact CD1-NE2 3.72Å; Y105-H109 HydrophobicContact CD2-CB 4.29Å; Y105-H109 HydrophobicContact CE1-CB 4.17Å; Y105-H109 AromaticContact CE1-CD2 3.74Å; Y105-H109 HydrophobicContact CG-CB 3.75Å; Y105-H109 AromaticContact CG-CG 3.67Å; Y105-H109 AromaticContact CG-ND1 3.95Å; S107-H109 PolarHBondContact O-N 3.45Å; S107-H109 PolarHBondContact O-ND1 3.47Å; S107-H109 PolarHBondContact OG-CE1 3.24Å; S107-H109 VanDerWaalsContact OG-CE1 3.26Å; H109-L118 HydrophobicContact CB-CD1 4.25Å; H109-L118 WeakPolarHBondContact O-CB 3.48Å; H109-L118 PolarHBondContact O-N 3.09Å
110F64.1Low65Low68 Ų6869.3 Ų69.330%0.29836%0.363SS..BIsolated β-bridgetrans-118.1151.2-175.8-64-98.8000111.2G115 E116 V117F110-G115 VanDerWaalsContact CD1-O 3.27Å; F110-G115 WeakPolarHBondContact CD1-O 3.43Å; F110-E116 WeakPolarHBondContact CA-O 3.27Å; F110-V117 HydrophobicContact CD1-CB 4.43Å; F110-V117 HydrophobicContact CD1-CG2 3.78Å; F110-V117 HydrophobicContact CE1-CB 4.39Å; F110-V117 HydrophobicContact CE1-CG2 3.3Å; F110-V117 HydrophobicContact CZ-CG2 3.79Å
111C65.8Low63.2Low2 Ų274.4 Ų74.41%0.01439%0.39CS..  trans-74.5122.9174.4174.80000110.8Y113 G115 E116 L118 N134 H136C111-Y113 PolarHBondContact O-N 3.48Å; C111-G115 WeakPolarHBondContact O-CA 3.5Å; C111-G115 PolarHBondContact O-N 3.12Å; C111-E116 PolarHBondContact N-O 3.49Å; C111-L118 HydrophobicContact CB-CD2 3.9Å; C111-N134 CarbonylContact C-O 3.57Å; C111-N134 WeakPolarHBondContact CA-O 3.34Å; C111-H136 WeakPolarHBondContact CB-CE1 3.36Å; C111-H136 WeakPolarHBondContact CB-ND1 3.25Å; C111-H136 PolarHBondContact SG-N 3.28Å; C111-H136 VanDerWaalsContact SG-N 3.44Å; C111-H136 PolarHBondContact SG-ND1 3.03Å
112D70.7Confident62.3Low45 Ų4572.5 Ų72.524%0.24139%0.387CS..THydrogen-bonded Turntrans-66.8-13.1179.8-73.3-66.8000113.2Q133 N134 F135D112-Q133 HydrophobicContact CB-CB 4.16Å; D112-Q133 HydrophobicContact CB-CG 4.45Å; D112-Q133 WeakPolarHBondContact OD2-CA 3.21Å; D112-N134 PolarHBondContact N-O 3.36Å; D112-N134 PolarHBondContact OD2-N 3.33Å; D112-N134 PolarHBondContact OD2-ND2 3.49Å; D112-F135 HydrophobicContact CB-CE1 4.31Å
113Y70Confident61.8Low111 Ų11176 Ų7644%0.43540%0.396SS..THydrogen-bonded Turntrans-88.9-50.2173.6177.2-86.1000114.1C111 C139 K142 I143C111-Y113 PolarHBondContact O-N 3.48Å; Y113-C139 HydrophobicContact CD1-CB 3.75Å; Y113-C139 HydrophobicContact CG-CB 3.98Å; Y113-K142 HydrophobicContact CD2-CB 4.27Å; Y113-K142 HydrophobicContact CE1-CB 4.08Å; Y113-K142 HydrophobicContact CE1-CD 3.71Å; Y113-K142 HydrophobicContact CE2-CB 3.54Å; Y113-K142 VanDerWaalsContact CZ-CB 3.46Å; Y113-I143 HydrophobicContact CD2-CG2 3.63Å; Y113-I143 HydrophobicContact CE2-CG2 4.3Å
114C58.6Low62Low50 Ų5073.7 Ų73.734%0.33839%0.385SS..THydrogen-bonded Turntrans-106.1-12.2-175.165.20000114.9E116 H136C114-E116 HydrophobicContact CB-CG 4.4Å; C114-E116 PolarHBondContact O-N 3.28Å; C114-H136 PolarHBondContact SG-CE1 3.43Å; C114-H136 PolarHBondContact SG-ND1 3.27Å
115G51.8Low62.4Low50 Ų5071.4 Ų71.452%0.51537%0.37SS..  trans72.72.2-176.700000115.5F110 C111F110-G115 VanDerWaalsContact CD1-O 3.27Å; F110-G115 WeakPolarHBondContact CD1-O 3.43Å; C111-G115 WeakPolarHBondContact O-CA 3.5Å; C111-G115 PolarHBondContact O-N 3.12Å
116E60.7Low63.4Low95 Ų9570.7 Ų70.744%0.44437%0.367SS..  trans-79.2156.6172.9-54.2172148.600111.3F110 C111 C114 H136 K138F110-E116 WeakPolarHBondContact CA-O 3.27Å; C111-E116 PolarHBondContact N-O 3.49Å; C114-E116 HydrophobicContact CB-CG 4.4Å; C114-E116 PolarHBondContact O-N 3.28Å; E116-H136 IonicContact OE2-CE1 3.16Å; E116-K138 IonicContact OE2-NZ 3.11Å; E116-K138 PolarHBondContact OE2-NZ 3.35Å
117V63Low64.5Low33 Ų3362.9 Ų62.920%0.234%0.338CS..BIsolated β-bridgetrans-63.5140.8176.4-179.40000111.1P108 F110 F119 H136P108-V117 HydrophobicContact CB-CG1 4.5Å; F110-V117 HydrophobicContact CD1-CB 4.43Å; F110-V117 HydrophobicContact CD1-CG2 3.78Å; F110-V117 HydrophobicContact CE1-CB 4.39Å; F110-V117 HydrophobicContact CE1-CG2 3.3Å; F110-V117 HydrophobicContact CZ-CG2 3.79Å; V117-F119 HydrophobicContact CB-CD1 4.4Å; V117-F119 HydrophobicContact CB-CD2 4.11Å; V117-F119 HydrophobicContact CB-CE1 4.09Å; V117-F119 HydrophobicContact CB-CE2 3.78Å; V117-F119 HydrophobicContact CB-CG 4.41Å; V117-F119 HydrophobicContact CB-CZ 3.78Å; V117-F119 HydrophobicContact CG1-CD1 4.07Å; V117-F119 HydrophobicContact CG1-CD2 4.4Å; V117-F119 HydrophobicContact CG1-CE1 4.12Å; V117-F119 HydrophobicContact CG1-CE2 4.45Å; V117-F119 HydrophobicContact CG1-CG 4.22Å; V117-F119 HydrophobicContact CG1-CZ 4.31Å; V117-F119 HydrophobicContact CG2-CZ 4.31Å; V117-F119 VanDerWaalsContact O-CD2 3.28Å; V117-F119 WeakPolarHBondContact O-CD2 3.16Å; V117-F119 PolarHBondContact O-N 2.68Å; V117-H136 PolarHBondContact O-NE2 2.95Å
118L62.3Low66.1Low4 Ų459.8 Ų59.82%0.02132%0.316CS..  trans-8191.7165.2-59.5176.1000107.8Y105 H109 C111 Q124 N134Y105-L118 HydrophobicContact CD2-CD1 4.12Å; Y105-L118 HydrophobicContact CE2-CD1 3.5Å; Y105-L118 VanDerWaalsContact CE2-CD1 3.5Å; H109-L118 HydrophobicContact CB-CD1 4.25Å; H109-L118 WeakPolarHBondContact O-CB 3.48Å; H109-L118 PolarHBondContact O-N 3.09Å; C111-L118 HydrophobicContact CB-CD2 3.9Å; L118-Q124 HydrophobicContact CB-CB 3.82Å; L118-Q124 WeakPolarHBondContact O-CB 3.27Å; L118-N134 HydrophobicContact CD1-CB 4.09Å
119F62.4Low67Low157 Ų15758.2 Ų58.269%0.68931%0.307SS*.  trans-75.1140.9-173.4-70.2-82.1000113.8V117V117-F119 HydrophobicContact CB-CD1 4.4Å; V117-F119 HydrophobicContact CB-CD2 4.11Å; V117-F119 HydrophobicContact CB-CE1 4.09Å; V117-F119 HydrophobicContact CB-CE2 3.78Å; V117-F119 HydrophobicContact CB-CG 4.41Å; V117-F119 HydrophobicContact CB-CZ 3.78Å; V117-F119 HydrophobicContact CG1-CD1 4.07Å; V117-F119 HydrophobicContact CG1-CD2 4.4Å; V117-F119 HydrophobicContact CG1-CE1 4.12Å; V117-F119 HydrophobicContact CG1-CE2 4.45Å; V117-F119 HydrophobicContact CG1-CG 4.22Å; V117-F119 HydrophobicContact CG1-CZ 4.31Å; V117-F119 HydrophobicContact CG2-CZ 4.31Å; V117-F119 VanDerWaalsContact O-CD2 3.28Å; V117-F119 WeakPolarHBondContact O-CD2 3.16Å; V117-F119 PolarHBondContact O-N 2.68Å
120G55.4Low67.6Low43 Ų4356.6 Ų56.644%0.44331%0.31SS..SBendtrans126.5173.5174.700000113.3Q124G120-Q124 VanDerWaalsContact C-CG 3.4Å; G120-Q124 WeakPolarHBondContact O-CG 3.46Å; G120-Q124 PolarHBondContact O-NE2 3.46Å
121L52.2Low67.7Low115 Ų11554.5 Ų54.560%0.60230%0.303SS*.SBendtrans-93.5-26.9177.7-62.6171.7000113.1Q124L121-Q124 PolarHBondContact O-NE2 3.47Å
122V60.4Low68.1Low81 Ų8157.2 Ų57.249%0.49132%0.321SS..SBendtrans-141.4139.3-173.2175.60000108.4Q124V122-Q124 VanDerWaalsContact C-N 3.29Å; V122-Q124 PolarHBondContact O-N 3.27Å
123R70.9Confident68.3Low110 Ų11058 Ų5842%0.41532%0.324SS..  trans53.640.4172.8-69.8176.2-175.5172.7-4.6114.3V102 H103 S104 G125 T278 F279V102-R123 HydrophobicContact CG1-CB 3.51Å; V102-R123 HydrophobicContact CG1-CG 3.71Å; H103-R123 CarbonylContact O-C 3.55Å; H103-R123 VanDerWaalsContact O-CA 3.25Å; H103-R123 WeakPolarHBondContact O-CA 3.37Å; S104-R123 PolarHBondContact OG-N 2.77Å; R123-G125 PolarHBondContact O-N 2.89Å; R123-T278 HydrophobicContact CB-CG2 3.77Å; R123-F279 PolarHBondContact NH1-O 3.26Å
124Q80.9Confident68.9Low20 Ų2053.6 Ų53.69%0.09331%0.308CS..  trans-67.4-18.4-172-55.490.5-27.200114.4H103 S104 Y105 L118 G120 L121 V122H103-Q124 PolarHBondContact O-N 3.43Å; S104-Q124 VanDerWaalsContact CA-OE1 3.29Å; Y105-Q124 HydrophobicContact CD2-CB 4.18Å; Y105-Q124 PolarHBondContact O-NE2 3.27Å; L118-Q124 HydrophobicContact CB-CB 3.82Å; L118-Q124 WeakPolarHBondContact O-CB 3.27Å; G120-Q124 VanDerWaalsContact C-CG 3.4Å; G120-Q124 WeakPolarHBondContact O-CG 3.46Å; G120-Q124 PolarHBondContact O-NE2 3.46Å; L121-Q124 PolarHBondContact O-NE2 3.47Å; V122-Q124 VanDerWaalsContact C-N 3.29Å; V122-Q124 PolarHBondContact O-N 3.27Å
125G84.1Confident69.8Low5 Ų551.3 Ų51.35%0.05229%0.292CS..EExtended strand (participates in β ladder)trans-166.3-169.8-178.400000112.9V102 H103 R123 F135V102-G125 WeakPolarHBondContact CA-O 3.12Å; H103-G125 PolarHBondContact N-O 3.38Å; R123-G125 PolarHBondContact O-N 2.89Å; G125-F135 CarbonylContact C-O 3.59Å; G125-F135 WeakPolarHBondContact CA-O 3.25Å
126L86.2Confident71.2Confident0 Ų050.1 Ų50.10%027%0.273CS..EExtended strand (participates in β ladder)trans-100.1155.8173.2-55.3-178000110.5F100 Q101 V102 Y105 N134 F135 K137 A140 V275 P276F100-L126 HydrophobicContact CB-CB 4.44Å; F100-L126 HydrophobicContact CB-CD1 4.06Å; F100-L126 HydrophobicContact CD1-CB 3.85Å; F100-L126 HydrophobicContact CD1-CD1 4.19Å; F100-L126 HydrophobicContact CG-CB 4.43Å; F100-L126 HydrophobicContact CG-CD1 4.06Å; Q101-L126 CarbonylContact O-C 3.6Å; Q101-L126 VanDerWaalsContact O-CA 3.24Å; Q101-L126 WeakPolarHBondContact O-CA 3.38Å; V102-L126 HydrophobicContact CG2-CD2 3.98Å; Y105-L126 PolarHBondContact OH-O 2.76Å; L126-N134 CarbonylContact O-C 3.59Å; L126-N134 VanDerWaalsContact O-CA 3.25Å; L126-N134 WeakPolarHBondContact O-CA 3.36Å; L126-F135 PolarHBondContact N-O 2.85Å; L126-F135 PolarHBondContact O-N 2.81Å; L126-K137 HydrophobicContact CD1-CG 4.06Å; L126-K137 HydrophobicContact CD2-CG 4Å; L126-K137 HydrophobicContact CG-CG 3.92Å; L126-A140 HydrophobicContact CD1-CB 3.57Å; L126-V275 HydrophobicContact CD1-CG1 3.8Å; L126-P276 HydrophobicContact CD2-CG 3.69Å
127R82.4Confident72.2Confident94 Ų9446 Ų4636%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-132.9136.9163.8-174.1172171-167.6-6.3109.5Q101 H103 C132 Q133Q101-R127 PolarHBondContact N-O 3.42Å; Q101-R127 PolarHBondContact O-N 3.46Å; H103-R127 HydrophobicContact CB-CB 4.05Å; R127-C132 PolarHBondContact NE-O 3.39Å; R127-C132 PolarHBondContact NH2-SG 2.76Å; R127-Q133 WeakPolarHBondContact CA-O 2.99Å
128C81.2Confident72.9Confident1 Ų149.4 Ų49.41%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-80.9132.4173.9-179.90000110.4H98 N99 F100 G130 C131 C132 Q133H98-C128 PolarHBondContact ND1-SG 2.79Å; N99-C128 CarbonylContact O-C 3.56Å; N99-C128 WeakPolarHBondContact O-CA 3.34Å; F100-C128 HydrophobicContact CD1-CB 4.02Å; F100-C128 HydrophobicContact CE1-CB 3.59Å; F100-C128 HydrophobicContact CZ-CB 4.16Å; C128-G130 PolarHBondContact SG-N 3.1Å; C128-C131 VanDerWaalsContact CB-SG 3.57Å; C128-C132 WeakPolarHBondContact O-CA 3.35Å; C128-C132 PolarHBondContact O-N 2.85Å; C128-Q133 PolarHBondContact N-O 2.83Å
129S70.6Confident73.5Confident69 Ų6949.4 Ų49.448%0.48327%0.266SS..THydrogen-bonded Turntrans-68.3-34.1177.358.40000113.4N99N99-S129 WeakPolarHBondContact CB-OG 2.91Å; N99-S129 PolarHBondContact O-N 2.72Å; N99-S129 PolarHBondContact O-OG 2.86Å
130G65.6Low74.3Confident36 Ų3641.9 Ų41.937%0.37123%0.233SC..THydrogen-bonded Turntrans-73-63.3176.800000114.5C128C128-G130 PolarHBondContact SG-N 3.1Å
131C66.2Low75.4Confident23 Ų2344.2 Ų44.216%0.15523%0.229CC..THydrogen-bonded Turntrans-91.4-0.6-174.771.60000115.3H98 C128 Q133 C147H98-C131 PolarHBondContact CE1-SG 2.96Å; C128-C131 VanDerWaalsContact CB-SG 3.57Å; C131-Q133 PolarHBondContact O-N 3.28Å; C131-C147 PolarHBondContact N-SG 3Å
132C74.5Confident76.3Confident59 Ų5944.7 Ų44.740%0.39923%0.226SC..  trans57.27.5-178.4-76.20000117.5R127 C128R127-C132 PolarHBondContact NE-O 3.39Å; R127-C132 PolarHBondContact NH2-SG 2.76Å; C128-C132 WeakPolarHBondContact O-CA 3.35Å; C128-C132 PolarHBondContact O-N 2.85Å
133Q75.4Confident76.5Confident63 Ų6342.2 Ų42.229%0.29421%0.21SC..  trans-75.4153.8176.7-66177.320.900112.6D112 R127 C128 C131 F135D112-Q133 HydrophobicContact CB-CB 4.16Å; D112-Q133 HydrophobicContact CB-CG 4.45Å; D112-Q133 WeakPolarHBondContact OD2-CA 3.21Å; R127-Q133 WeakPolarHBondContact CA-O 2.99Å; C128-Q133 PolarHBondContact N-O 2.83Å; C131-Q133 PolarHBondContact O-N 3.28Å; Q133-F135 HydrophobicContact CB-CD2 4.5Å; Q133-F135 HydrophobicContact CB-CE2 3.5Å; Q133-F135 VanDerWaalsContact CB-CE2 3.5Å; Q133-F135 HydrophobicContact CB-CZ 3.61Å
134N82.3Confident76Confident17 Ų1739.4 Ų39.49%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-118.1133.9-166-45.3-83.9000110Y105 C111 D112 L118 L126Y105-N134 HydrophobicContact CE1-CB 4.49Å; Y105-N134 WeakPolarHBondContact CE1-OD1 3.11Å; Y105-N134 WeakPolarHBondContact OH-CB 3.25Å; Y105-N134 PolarHBondContact OH-OD1 2.85Å; C111-N134 CarbonylContact C-O 3.57Å; C111-N134 WeakPolarHBondContact CA-O 3.34Å; D112-N134 PolarHBondContact N-O 3.36Å; D112-N134 PolarHBondContact OD2-N 3.33Å; D112-N134 PolarHBondContact OD2-ND2 3.49Å; L118-N134 HydrophobicContact CD1-CB 4.09Å; L126-N134 CarbonylContact O-C 3.59Å; L126-N134 VanDerWaalsContact O-CA 3.25Å; L126-N134 WeakPolarHBondContact O-CA 3.36Å
135F77.1Confident75.6Confident2 Ų240.4 Ų40.41%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-142.8148.9-172.8-56.1-89.1000113.2F100 D112 G125 L126 Q133 C139 A140 I143F100-F135 HydrophobicContact CD1-CD2 4.43Å; F100-F135 AromaticContact CE1-CD2 3.4Å; F100-F135 HydrophobicContact CE1-CD2 3.4Å; F100-F135 VanDerWaalsContact CE1-CD2 3.4Å; F100-F135 AromaticContact CE1-CE2 3.63Å; F100-F135 HydrophobicContact CE1-CE2 3.63Å; F100-F135 HydrophobicContact CE1-CG 4.45Å; F100-F135 AromaticContact CZ-CD2 3.87Å; F100-F135 HydrophobicContact CZ-CD2 3.87Å; F100-F135 AromaticContact CZ-CE2 3.84Å; F100-F135 HydrophobicContact CZ-CE2 3.84Å; D112-F135 HydrophobicContact CB-CE1 4.31Å; G125-F135 CarbonylContact C-O 3.59Å; G125-F135 WeakPolarHBondContact CA-O 3.25Å; L126-F135 PolarHBondContact N-O 2.85Å; L126-F135 PolarHBondContact O-N 2.81Å; Q133-F135 HydrophobicContact CB-CD2 4.5Å; Q133-F135 HydrophobicContact CB-CE2 3.5Å; Q133-F135 VanDerWaalsContact CB-CE2 3.5Å; Q133-F135 HydrophobicContact CB-CZ 3.61Å; F135-C139 HydrophobicContact CB-CB 4.5Å; F135-A140 HydrophobicContact CB-CB 4.38Å; F135-I143 HydrophobicContact CE1-CD1 4.42Å; F135-I143 HydrophobicContact CE1-CG2 3.94Å; F135-I143 HydrophobicContact CE2-CD1 4.33Å; F135-I143 HydrophobicContact CZ-CD1 3.98Å; F135-I143 HydrophobicContact CZ-CG2 4.46Å
136H81.4Confident74.6Confident25 Ų2542.5 Ų42.512%0.11622%0.224CC..  trans-65.6152.8155.1-51.295.3000109.1C111 C114 E116 V117 K138 C139 A140C111-H136 WeakPolarHBondContact CB-CE1 3.36Å; C111-H136 WeakPolarHBondContact CB-ND1 3.25Å; C111-H136 PolarHBondContact SG-N 3.28Å; C111-H136 VanDerWaalsContact SG-N 3.44Å; C111-H136 PolarHBondContact SG-ND1 3.03Å; C114-H136 PolarHBondContact SG-CE1 3.43Å; C114-H136 PolarHBondContact SG-ND1 3.27Å; E116-H136 IonicContact OE2-CE1 3.16Å; V117-H136 PolarHBondContact O-NE2 2.95Å; H136-K138 VanDerWaalsContact C-N 3.33Å; H136-K138 HydrophobicContact CB-CD 4.5Å; H136-K138 HydrophobicContact CB-CG 3.74Å; H136-K138 PolarHBondContact O-N 3.03Å; H136-C139 HydrophobicContact CB-CB 4.27Å; H136-C139 WeakPolarHBondContact O-CA 3.49Å; H136-C139 WeakPolarHBondContact O-CB 3.49Å; H136-C139 PolarHBondContact O-N 3.45Å; H136-A140 PolarHBondContact O-N 2.75Å
137K81Confident73.5Confident10 Ų1043.3 Ų43.34%0.04323%0.229CC..Hα-helixtrans-57.5-43.9173.7-67.8-173.8-176-173.50113.4L126 C139 A140 V275 P276 H277 T278 D309 C326L126-K137 HydrophobicContact CD1-CG 4.06Å; L126-K137 HydrophobicContact CD2-CG 4Å; L126-K137 HydrophobicContact CG-CG 3.92Å; K137-C139 PolarHBondContact O-N 2.62Å; K137-A140 PolarHBondContact O-N 2.91Å; K137-V275 HydrophobicContact CB-CG1 4.14Å; K137-V275 HydrophobicContact CD-CG1 4.35Å; K137-V275 HydrophobicContact CG-CG1 4.08Å; K137-P276 WeakPolarHBondContact CE-O 3.42Å; K137-P276 PolarHBondContact NZ-O 2.91Å; K137-H277 VanDerWaalsContact NZ-C 3.34Å; K137-T278 WeakPolarHBondContact CE-OG1 3.48Å; K137-T278 PolarHBondContact NZ-OG1 2.72Å; K137-D309 HydrophobicContact CD-CB 4.26Å; K137-D309 WeakPolarHBondContact CE-OD2 3.33Å; K137-D309 IonicContact NZ-OD2 3.33Å; K137-D309 PolarHBondContact NZ-OD2 3.43Å; K137-C326 HydrophobicContact CD-CB 4.4Å; K137-C326 PolarHBondContact NZ-SG 3.19Å
138K77.8Confident72.2Confident104 Ų10443.3 Ų43.345%0.45224%0.24SC..Hα-helixtrans-55.8-17.7172.869.2175.3-174.3176.70114E116 H136 K142E116-K138 IonicContact OE2-NZ 3.11Å; E116-K138 PolarHBondContact OE2-NZ 3.35Å; H136-K138 VanDerWaalsContact C-N 3.33Å; H136-K138 HydrophobicContact CB-CD 4.5Å; H136-K138 HydrophobicContact CB-CG 3.74Å; H136-K138 PolarHBondContact O-N 3.03Å; K138-K142 VanDerWaalsContact O-CE 3.26Å; K138-K142 WeakPolarHBondContact O-CE 3.48Å
139C76.3Confident70.6Confident3 Ų344 Ų442%0.0225%0.247CC..Hα-helixtrans-103.7-29.4-178.2-670000113.1Y113 F135 H136 K137 Y141 K142Y113-C139 HydrophobicContact CD1-CB 3.75Å; Y113-C139 HydrophobicContact CG-CB 3.98Å; F135-C139 HydrophobicContact CB-CB 4.5Å; H136-C139 HydrophobicContact CB-CB 4.27Å; H136-C139 WeakPolarHBondContact O-CA 3.49Å; H136-C139 WeakPolarHBondContact O-CB 3.49Å; H136-C139 PolarHBondContact O-N 3.45Å; K137-C139 PolarHBondContact O-N 2.62Å; C139-Y141 VanDerWaalsContact C-N 3.3Å; C139-Y141 PolarHBondContact O-N 2.75Å; C139-K142 WeakPolarHBondContact O-CB 3.41Å; C139-K142 PolarHBondContact O-N 2.94Å
140A78.2Confident69.4Low0 Ų047.8 Ų47.80%026%0.26CS..Hα-helixtrans-60.2-37.8177.900000112.5F100 L126 F135 H136 K137 K142 I143 L273 V275F100-A140 HydrophobicContact CD2-CB 4.48Å; F100-A140 HydrophobicContact CE2-CB 4.27Å; F100-A140 HydrophobicContact CZ-CB 4.42Å; L126-A140 HydrophobicContact CD1-CB 3.57Å; F135-A140 HydrophobicContact CB-CB 4.38Å; H136-A140 PolarHBondContact O-N 2.75Å; K137-A140 PolarHBondContact O-N 2.91Å; A140-K142 PolarHBondContact O-N 2.77Å; A140-K142 VanDerWaalsContact O-N 3.12Å; A140-I143 VanDerWaalsContact O-CG1 3.26Å; A140-I143 WeakPolarHBondContact O-CG1 3.24Å; A140-I143 PolarHBondContact O-N 3.35Å; A140-L273 HydrophobicContact CB-CD2 4.31Å; A140-L273 WeakPolarHBondContact O-CD1 3.42Å; A140-L273 WeakPolarHBondContact O-CD2 3.14Å; A140-V275 HydrophobicContact CB-CG2 3.88Å
141Y78.9Confident67.8Low91 Ų9149.9 Ų49.936%0.35727%0.269SS..THydrogen-bonded Turntrans-66.3-8.7173.5-69.9-71.7000115.4C139 V275 N325 C326C139-Y141 VanDerWaalsContact C-N 3.3Å; C139-Y141 PolarHBondContact O-N 2.75Å; Y141-V275 HydrophobicContact CD1-CG2 4.04Å; Y141-V275 HydrophobicContact CD2-CG2 4.04Å; Y141-V275 HydrophobicContact CE1-CB 4.14Å; Y141-V275 HydrophobicContact CE1-CG2 3.73Å; Y141-V275 HydrophobicContact CE2-CB 3.8Å; Y141-V275 HydrophobicContact CE2-CG1 3.81Å; Y141-V275 HydrophobicContact CE2-CG2 3.73Å; Y141-V275 HydrophobicContact CG-CG2 4.21Å; Y141-N325 VanDerWaalsContact OH-C 3.23Å; Y141-C326 WeakPolarHBondContact CE2-O 3.46Å; Y141-C326 VanDerWaalsContact OH-C 3.29Å; Y141-C326 PolarHBondContact OH-N 2.98Å; Y141-C326 PolarHBondContact OH-O 2.77Å
142K70.2Confident66.2Low126 Ų12653.7 Ų53.755%0.54829%0.292SS..THydrogen-bonded Turntrans-101.2-3.2-176.1-57.6-176.3179.1-1790113.5Y113 K138 C139 A140Y113-K142 HydrophobicContact CD2-CB 4.27Å; Y113-K142 HydrophobicContact CE1-CB 4.08Å; Y113-K142 HydrophobicContact CE1-CD 3.71Å; Y113-K142 HydrophobicContact CE2-CB 3.54Å; Y113-K142 VanDerWaalsContact CZ-CB 3.46Å; K138-K142 VanDerWaalsContact O-CE 3.26Å; K138-K142 WeakPolarHBondContact O-CE 3.48Å; C139-K142 WeakPolarHBondContact O-CB 3.41Å; C139-K142 PolarHBondContact O-N 2.94Å; A140-K142 PolarHBondContact O-N 2.77Å; A140-K142 VanDerWaalsContact O-N 3.12Å
143I64.8Low63.8Low29 Ų2959.7 Ų59.715%0.14931%0.306CS..SBendtrans-97.8156173.564.9159.2000111.1F100 Y113 F135 A140 L273F100-I143 HydrophobicContact CE2-CD1 4.23Å; F100-I143 HydrophobicContact CZ-CD1 3.76Å; Y113-I143 HydrophobicContact CD2-CG2 3.63Å; Y113-I143 HydrophobicContact CE2-CG2 4.3Å; F135-I143 HydrophobicContact CE1-CD1 4.42Å; F135-I143 HydrophobicContact CE1-CG2 3.94Å; F135-I143 HydrophobicContact CE2-CD1 4.33Å; F135-I143 HydrophobicContact CZ-CD1 3.98Å; F135-I143 HydrophobicContact CZ-CG2 4.46Å; A140-I143 VanDerWaalsContact O-CG1 3.26Å; A140-I143 WeakPolarHBondContact O-CG1 3.24Å; A140-I143 PolarHBondContact O-N 3.35Å; I143-L273 HydrophobicContact CG1-CD1 3.87Å; I143-L273 VanDerWaalsContact O-CD1 3.27Å; I143-L273 WeakPolarHBondContact O-CD1 3.24Å
144P60.2Low61.4Low50 Ų5060.7 Ų60.733%0.32532%0.32SS..  trans-62.1147.3169.5-22.234.4000112H98 T146 N248H98-P144 PolarHBondContact CD2-O 2.85Å; H98-P144 VanDerWaalsContact CD2-O 3.29Å; P144-T146 HydrophobicContact CB-CG2 4.41Å; P144-T146 PolarHBondContact O-N 3.07Å; P144-N248 VanDerWaalsContact CG-OD1 3.24Å; P144-N248 WeakPolarHBondContact CG-OD1 3.4Å
145N73.5Confident58.8Low42 Ų4266.6 Ų66.623%0.22535%0.351CS..SBendtrans-80.548.3173.4-162.110.1000112G97 H98 K271 L273G97-N145 VanDerWaalsContact CA-OD1 3.28Å; G97-N145 WeakPolarHBondContact CA-OD1 3.29Å; H98-N145 PolarHBondContact N-OD1 2.84Å; N145-K271 PolarHBondContact ND2-O 2.82Å; N145-L273 HydrophobicContact CB-CB 4.38Å; N145-L273 HydrophobicContact CB-CD1 4.13Å; N145-L273 HydrophobicContact CB-CG 4.4Å
146T63.8Low56.2Low49 Ų4974.1 Ų74.130%0.30139%0.391SS..  trans-131.586.5-175.5640000109.7V95 P144 T148V95-T146 HydrophobicContact CG1-CG2 3.64Å; P144-T146 HydrophobicContact CB-CG2 4.41Å; P144-T146 PolarHBondContact O-N 3.07Å; T146-T148 PolarHBondContact O-N 3.47Å
147C62.2Low53.4Low17 Ų1779.8 Ų79.812%0.11543%0.427CS..  trans-68123.3-176.9-172.60000111V96 G97 C131 G149V96-C147 WeakPolarHBondContact O-CB 3.49Å; V96-C147 PolarHBondContact O-N 3.02Å; G97-C147 WeakPolarHBondContact O-CB 3.35Å; C131-C147 PolarHBondContact N-SG 3Å; C147-G149 VanDerWaalsContact C-N 3.29Å
148T54.3Low50.8Low94 Ų9488 Ų8858%0.57746%0.463SS*.  trans-83.2-4.3176.351.70000113.5T146 I150T146-T148 PolarHBondContact O-N 3.47Å; T148-I150 PolarHBondContact O-N 2.96Å
149G48.6Very low48.2Very low15 Ų1592.2 Ų92.216%0.15549%0.485CS..SBendtrans-71.8124173.600000110.3C147 S151C147-G149 VanDerWaalsContact C-N 3.29Å; G149-S151 PolarHBondContact O-N 3.33Å
150I44.1Very low45.6Very low149 Ų14996.8 Ų96.876%0.76452%0.517SS*.  trans-67.798.4175.5-54175.8000108T148 T152T148-I150 PolarHBondContact O-N 2.96Å; I150-T152 VanDerWaalsContact C-N 3.3Å; I150-T152 HydrophobicContact CB-CG2 4.49Å; I150-T152 HydrophobicContact CG2-CG2 3.66Å; I150-T152 PolarHBondContact O-N 3.29Å
151S33.6Very low43Very low80 Ų80102.3 Ų102.356%0.55956%0.555SS**  trans-70.292163.9-172.60000107.8G149 R153G149-S151 PolarHBondContact O-N 3.33Å; S151-R153 PolarHBondContact O-N 2.64Å
152T31.5Very low40.2Very low103 Ų103106.9 Ų106.963%0.63258%0.577SS**  trans-7171.5178.9510000111.1I150I150-T152 VanDerWaalsContact C-N 3.3Å; I150-T152 HydrophobicContact CB-CG2 4.49Å; I150-T152 HydrophobicContact CG2-CG2 3.66Å; I150-T152 PolarHBondContact O-N 3.29Å
153R25.5Very low38Very low185 Ų185109.4 Ų109.470%0.69859%0.591SS**  trans-165.963.6163.9-120.1176.3171.2-154.6-6.5114.2S151S151-R153 PolarHBondContact O-N 2.64Å
154S25.3Very low35.9Very low84 Ų84114.8 Ų114.859%0.58762%0.618SS**SBendtrans-149.3111.915249.50000112.5
155N25.7Very low34.2Very low140 Ų140117.7 Ų117.775%0.74963%0.632SS**SBendtrans57.873.7153.7-55.5-25.3000118.9
156L23.2Very low31.7Very low160 Ų160122.7 Ų122.784%0.83866%0.658SS**  trans-155.756.1151.8-109.2168.5000112.5
157T23.8Very low29.8Very low144 Ų144124 Ų12488%0.88366%0.661SS**  trans-126.156.7166.2420000111.3
158K24.7Very low27.9Very low183 Ų183129.3 Ų129.380%0.79669%0.693SS**SBendtrans-139.9124.8155.3-72.7-165.9177-175.50107.6
159Q23.3Very low26.3Very low193 Ų193126.9 Ų126.990%0.90268%0.68SS**SBendtrans67.5121.9-173.8-51.9167.7-9.600112.6
160S21.9Very low25.1Very low99 Ų99130.1 Ų130.169%0.69270%0.7SS**  cis-148.1116.51.545.40000110.3
161S23.2Very low24.1Very low116 Ų116125.2 Ų125.281%0.81168%0.679SS**  trans-94.197.4170.5480000109E163S161-E163 PolarHBondContact O-N 2.67Å; S161-E163 VanDerWaalsContact O-N 3.16Å
162F20.3Very low23.5Very low186 Ų186128.2 Ų128.282%0.81669%0.688SS**  trans-68101.9165.5-90.3-98000109
163E24Very low23.1Very low179 Ų179127.6 Ų127.684%0.83669%0.688SS**  trans-85.6119.9165.4-74.9-170.5154.600109.8S161 N165S161-E163 PolarHBondContact O-N 2.67Å; S161-E163 VanDerWaalsContact O-N 3.16Å; E163-N165 PolarHBondContact O-N 3.26Å; E163-N165 VanDerWaalsContact O-N 3.15Å
164I21.9Very low23.1Very low142 Ų142128 Ų12873%0.72870%0.695SS**  trans-73104.3179.5-64.1170.9000108.1N166I164-N166 PolarHBondContact O-N 3.13Å; I164-N166 VanDerWaalsContact O-N 3.15Å
165N23.1Very low22.9Very low112 Ų112130.9 Ų130.960%0.59970%0.704SS**  trans-87.385.8-171.7-146.7-19.7000111.2E163 Q167 I666E163-N165 PolarHBondContact O-N 3.26Å; E163-N165 VanDerWaalsContact O-N 3.15Å; N165-Q167 PolarHBondContact O-N 3.2Å; N165-I666 VanDerWaalsContact ND2-CD1 3.33Å; N165-I666 WeakPolarHBondContact ND2-CD1 3.3Å
166N22.2Very low22.9Very low146 Ų146130.1 Ų130.178%0.78170%0.704SS**  trans-7094.9172.9-84.6-15.5000110.6I164I164-N166 PolarHBondContact O-N 3.13Å; I164-N166 VanDerWaalsContact O-N 3.15Å
167Q22.9Very low22.8Very low77 Ų77127.9 Ų127.936%0.3670%0.697SS.*  trans-88.6118.4171.2-65.3-162.9-58.600112.2N165 N663 I666N165-Q167 PolarHBondContact O-N 3.2Å; Q167-N663 PolarHBondContact O-ND2 3.35Å; Q167-N663 VanDerWaalsContact O-ND2 3.09Å; Q167-N663 PolarHBondContact O-OD1 3.36Å; Q167-I666 HydrophobicContact CG-CD1 4.25Å; Q167-I666 VanDerWaalsContact NE2-CD1 3.27Å
168T23.2Very low22.8Very low129 Ų129129.4 Ų129.479%0.79169%0.694SS**  trans-127.793165.249.10000112.6
169S21Very low22.7Very low43 Ų43124.7 Ų124.730%0.30168%0.684SS.*  77.267.6117.5-510000121.4T661 I662 N663S169-T661 WeakPolarHBondContact O-CA 3.39Å; S169-T661 WeakPolarHBondContact O-CB 3.41Å; S169-T661 WeakPolarHBondContact O-CG2 3.2Å; S169-I662 PolarHBondContact O-N 3.08Å; S169-N663 VanDerWaalsContact CA-CB 3.45Å; S169-N663 PolarHBondContact N-OD1 2.66Å; S169-N663 VanDerWaalsContact OG-CB 3.29Å; S169-N663 WeakPolarHBondContact OG-CB 3.39Å; S169-N663 PolarHBondContact OG-ND2 3.24Å; S169-N663 VanDerWaalsContact OG-ND2 3.13Å
170S23.5Very low22.7Very low82 Ų82124 Ų12457%0.57368%0.681SS**BIsolated β-bridgetrans-156.9104.6152.1-143.20000119.8T661S170-T661 WeakPolarHBondContact OG-CA 3.44Å; S170-T661 PolarHBondContact OG-N 3.36Å
171S22.3Very low22.8Very low47 Ų47124.1 Ų124.133%0.32968%0.681SS.*  57.8123.1126.365.80000122.9T661 I662S171-T661 WeakPolarHBondContact CB-O 3.48Å; S171-T661 PolarHBondContact N-O 2.86Å; S171-I662 PolarHBondContact N-O 2.98Å
172L22Very low22.6Very low142 Ų142125.7 Ų125.774%0.74368%0.68SS**  trans83.194.5134.1-68.5164.4000122.2
173S22.3Very low22.8Very low91 Ų91125.7 Ų125.764%0.63668%0.682SS**  104.6140.8106.480.60000121.3
174K24.7Very low22.9Very low192 Ų192120.1 Ų120.184%0.83567%0.673SS**  trans71139.7165.1-56.5175.1-174.8177.60116.8
175N22.3Very low22.9Very low146 Ų146120.8 Ų120.878%0.78168%0.678SS**  cis167162-25.8-108.98.3000105.3
176T25Very low23Very low124 Ų124123.6 Ų123.676%0.76169%0.687SS**  trans78.6103.9167.1-34.60000114.2
177V22.2Very low23.2Very low113 Ų113123.8 Ų123.869%0.68569%0.688SS**  cis97.2135.741.1171.70000112.5
178Q23Very low23.2Very low176 Ų176128.6 Ų128.682%0.82271%0.711SS**  trans72.1146.1168.3-76.9154.87.600118.2
179S21.9Very low23.2Very low84 Ų84128 Ų12859%0.58771%0.712SS**  cis-179.1154.1-1852.70000113.1
180H22.9Very low23.2Very low178 Ų178134.1 Ų134.182%0.82474%0.74SS**  trans61.4157.5159.8-58.4-58.2000116.8
181S24.1Very low23.4Very low101 Ų101135.9 Ų135.971%0.70675%0.753SS**  cis-155.6130.9531.50000107.6
182L20.4Very low23.3Very low149 Ų149139 Ų13978%0.7877%0.769SS**  71.8134.984.6-85.2167.1000117.5
183H24.5Very low23.4Very low186 Ų186139.4 Ų139.486%0.86177%0.768SS**  trans75.1142.8169.2-6517.2000117.5
184G26.5Very low23.5Very low63 Ų63143.7 Ų143.765%0.64978%0.775SS**  cis-157.1145.3-6.600000109
185N22Very low23.3Very low155 Ų155142.8 Ų142.883%0.82977%0.774SS**  74.1146.587.1-94.517000116.2
186E24.9Very low23.5Very low171 Ų171144.7 Ų144.780%0.79978%0.775SS**  trans73.5136.9171.6-67.4159.5-148.500116.8
187D25.8Very low23.3Very low150 Ų150145.9 Ų145.980%0.80278%0.777SS**  cis-155.6170.7-5.6-136.6-20.1000114.5
188Q23.2Very low23.4Very low178 Ų178149.9 Ų149.983%0.83279%0.785SS**  trans-109.6140.3-179.9-60.4178.58.500113.9
189S23.7Very low23.4Very low116 Ų116146.8 Ų146.881%0.81178%0.778SS**  trans168.5138.8145.541.80000108.6
190L20.3Very low23.5Very low172 Ų172151.3 Ų151.390%0.90179%0.79SS**  cis71.592.131.7-75.2173.2000116.4
191S27Very low23.6Very low119 Ų119154.4 Ų154.483%0.83279%0.794SS**  trans-150.8153.5155.357.40000109.3
192V21.1Very low23.4Very low112 Ų112154.2 Ų154.268%0.67979%0.793SS**  cis160.5150.6-35.3148.80000107
193Q23.1Very low23.7Very low152 Ų152155.3 Ų155.371%0.7180%0.799SS**  trans73.7151.9174.5-70.1154.117.800116.8
194F23.8Very low23.6Very low180 Ų180153 Ų15379%0.78979%0.793SS**  cis-132.7152.716.9-100.6-77.7000115.1
195Q21.8Very low23.6Very low173 Ų173156.8 Ų156.881%0.80880%0.804SS**  trans-97.1156.4167.6-61.8169.3-4400112.4
196K26Very low23.7Very low187 Ų187152.7 Ų152.781%0.81380%0.798SS**  trans162.8121.6137.1-89155.2-175.9175.30109.2
197N21.2Very low23.7Very low148 Ų148153 Ų15379%0.79180%0.804SS**  87.2142.560.2-84.5-3.2000115.2
198K24.1Very low23.6Very low198 Ų198155 Ų15586%0.86181%0.809SS**  trans89.5143175.1-59.2-171.3173.3-176.60116.3
199T23.9Very low23.7Very low110 Ų110151.7 Ų151.768%0.67581%0.805SS**  cis-162.5135.1-7.914.90000112.8
200Q22.2Very low23.7Very low179 Ų179156.4 Ų156.484%0.83681%0.811SS**  trans18.3128.2137.7-72.2169.9-4700122.9
201R24.9Very low24Very low243 Ų243153.8 Ų153.892%0.91781%0.807SS**  177102.4128.9-98.4173.9-178.5-171.20.1106.6
202S21.7Very low23.9Very low98 Ų98152.3 Ų152.369%0.68580%0.802SS**  62.9100.660.7-148.80000112.7
203L25.2Very low24.2Very low172 Ų172154.9 Ų154.990%0.90181%0.812SS**  trans-158.699.6156.1-120.8155.5000107.8
204D22.8Very low24.4Very low138 Ų138155.9 Ų155.974%0.73882%0.821SS**  trans-76.6134.5-176.1-56-75.8000111.4
205T27.1Very low24.5Very low141 Ų141157 Ų15787%0.86583%0.826SS**  trans-126.984.9152.555.50000107.7
206G23.8Very low24.7Very low69 Ų69156.4 Ų156.471%0.71183%0.828SS**  trans-68.4136.8173.900000111.2
207L24.6Very low24.7Very low178 Ų178156.4 Ų156.493%0.93283%0.831SS**  trans-131.8112.2147.3-144.879.4000106.4
208E24.7Very low24.9Very low193 Ų193157.4 Ų157.490%0.90284%0.835SS**  trans-75142-161.9-67.2179.5132.300113.6
209S24.6Very low24.9Very low107 Ų107155.9 Ų155.975%0.74884%0.837SS**  trans-71.9125.117039.90000112.1
210K24.6Very low24.9Very low216 Ų216159.5 Ų159.594%0.93985%0.846SS**  trans-111.280.1153.8-78.9-170.1174.8-177.30110.1
211S24.9Very low25Very low117 Ų117160.4 Ų160.482%0.81885%0.85SS**  trans-158.767170-173.10000109.2
212A25.9Very low25.1Very low88 Ų88155 Ų15573%0.72784%0.844SS**  trans-14145-17200000112.7
213D27.5Very low25.3Very low165 Ų165158 Ų15888%0.88285%0.853SS**SBendtrans-130.719.5179.3-83.5-50.3000114.1
214L26.1Very low25.4Very low173 Ų173157.4 Ų157.491%0.90685%0.85SS**SBendtrans-139.143.6-179.3-151.474.7000114.9
215K26.9Very low25.6Very low203 Ų203158.6 Ų158.688%0.88385%0.851SS**SBendtrans-133.60.6173.8-87.2-169.2173.9-179.80117.5
216N26.8Very low25.8Very low161 Ų161158.5 Ų158.586%0.86185%0.845SS**SBendtrans-10919.6-173.9-76.80.3000115.8
217H25.2Very low26.1Very low188 Ų188161.9 Ų161.987%0.8785%0.846SS**SBendtrans-116.823.2179.8-98.5-57.9000116
218L24.8Very low27Very low169 Ų169156.9 Ų156.989%0.88583%0.826SS**  trans-133.675160.8-88.2100.6000110.7
219N23.8Very low27.6Very low166 Ų166153.4 Ų153.489%0.88881%0.814SS**  trans-150.275.8159.2-95.9-15.2000107.2
220Q25.3Very low28.3Very low185 Ų185152.3 Ų152.386%0.86480%0.803SS**  trans-125.1122.5159.8-87.4-173.2-18.300107.9T222Q220-T222 PolarHBondContact O-N 3.33Å
221E23.6Very low29.2Very low199 Ų199145 Ų14593%0.9378%0.776SS**  trans-64.8120.8-179.1-61.8163.7146.700109.1
222T26.7Very low30Very low130 Ų130144 Ų14480%0.79876%0.76SS**  trans-125.6125.416750.80000108.3Q220Q220-T222 PolarHBondContact O-N 3.33Å
223N26.2Very low30.8Very low161 Ų161146.5 Ų146.586%0.86176%0.757SS**  trans-56.3148.3-163.9-65.6-55.8000114.8H225N223-H225 PolarHBondContact O-N 3.38Å
224D27.7Very low31.7Very low158 Ų158147.1 Ų147.185%0.84575%0.747SS**  trans-53.6116.3172-69.8-62.9000112.4
225H27.8Very low32.7Very low163 Ų163140 Ų14076%0.75571%0.709SS**  trans-155.7111.6151.5-105.7-67.8000111.7N223 L227N223-H225 PolarHBondContact O-N 3.38Å; H225-L227 PolarHBondContact O-N 3.41Å
226D30.6Very low33.9Very low140 Ų140137.7 Ų137.775%0.74970%0.698SS**  trans50.451.5152.1-61.8-57.2000120.3
227L28.8Very low35.4Very low140 Ų140134.8 Ų134.873%0.73369%0.687SS**  trans-11445.1171.1-143.985.3000115.5H225H225-L227 PolarHBondContact O-N 3.41Å
228S44.3Very low37.4Very low73 Ų73127 Ų12751%0.5165%0.651SS.*SBendtrans-108.2-40.4179.162.20000115
229N36.8Very low39.8Very low120 Ų120119.3 Ų119.364%0.64261%0.611SS**Hα-helixtrans-83.7-30.5-173.3-80.7-34.3000114.7Q233N229-Q233 WeakPolarHBondContact O-CG 3.16Å; N229-Q233 PolarHBondContact O-N 3.2Å
230T40.1Very low42.4Very low84 Ų84115.9 Ų115.952%0.51559%0.588SS.*Hα-helixtrans-68.7-42.1-177.449.60000112.2Q233 R234T230-Q233 PolarHBondContact O-N 3.31Å; T230-R234 PolarHBondContact O-N 3.08Å
231T42.9Very low44.7Very low61 Ų61108.3 Ų108.337%0.37455%0.553SS.*Hα-helixtrans-66.3-42.3180-46.90000112.2Q233 R234 Y235T231-Q233 PolarHBondContact O-N 3.49Å; T231-R234 WeakPolarHBondContact O-CB 3.36Å; T231-R234 PolarHBondContact O-N 3.36Å; T231-Y235 PolarHBondContact O-N 3.32Å
232I42.9Very low46.7Very low96 Ų96100.2 Ų100.249%0.49252%0.524SS..Hα-helixtrans-67.2-36.3179.7-62.3174.4000111.5K236I232-K236 PolarHBondContact O-N 3.11Å
233Q42.3Very low48.6Very low141 Ų141100.6 Ų100.666%0.65952%0.516SS*.Hα-helixtrans-69.8-37.5172.8-71.1-172.10.900112.1N229 T230 T231 T237N229-Q233 WeakPolarHBondContact O-CG 3.16Å; N229-Q233 PolarHBondContact O-N 3.2Å; T230-Q233 PolarHBondContact O-N 3.31Å; T231-Q233 PolarHBondContact O-N 3.49Å; Q233-T237 PolarHBondContact O-N 3.3Å; Q233-T237 PolarHBondContact O-OG1 3.42Å
234R45.5Very low50.3Low178 Ų17894.5 Ų94.567%0.67248%0.483SS*.Hα-helixtrans-57.8-53.4171.4-111.7-175.8174.4144.3-1.3111.1T230 T231 K236 T237 I238T230-R234 PolarHBondContact O-N 3.08Å; T231-R234 WeakPolarHBondContact O-CB 3.36Å; T231-R234 PolarHBondContact O-N 3.36Å; R234-K236 PolarHBondContact O-N 3.3Å; R234-T237 WeakPolarHBondContact O-CA 3.45Å; R234-T237 WeakPolarHBondContact O-CB 3.46Å; R234-T237 PolarHBondContact O-N 3.36Å; R234-I238 HydrophobicContact CB-CD1 4.13Å; R234-I238 HydrophobicContact CG-CD1 4.06Å; R234-I238 WeakPolarHBondContact O-CG1 3.17Å; R234-I238 PolarHBondContact O-N 3.36Å; R234-I238 VanDerWaalsContact O-N 3.08Å
235Y47.3Very low51.4Low25 Ų2590.9 Ų90.910%0.09846%0.461CS..Hα-helixtrans-52-53.3-177.8165.6-104.6000113.1D26 L29 A30 T231 T237 I238 I239 I241D26-Y235 HydrophobicContact CB-CD2 4.37Å; L29-Y235 HydrophobicContact CB-CD2 4.1Å; L29-Y235 HydrophobicContact CB-CE2 3.94Å; L29-Y235 HydrophobicContact CD1-CD2 4.33Å; L29-Y235 HydrophobicContact CD1-CG 4.39Å; A30-Y235 WeakPolarHBondContact CA-OH 3.43Å; A30-Y235 HydrophobicContact CB-CE2 4.17Å; T231-Y235 PolarHBondContact O-N 3.32Å; Y235-T237 PolarHBondContact O-N 3.17Å; Y235-T237 VanDerWaalsContact O-N 3.09Å; Y235-I238 PolarHBondContact O-N 3.14Å; Y235-I239 HydrophobicContact CD2-CB 4.35Å; Y235-I239 HydrophobicContact CE2-CB 4.05Å; Y235-I239 HydrophobicContact CE2-CG2 4.36Å; Y235-I239 PolarHBondContact O-N 3.34Å; Y235-I241 WeakPolarHBondContact OH-CD1 3.28Å
236K53.1Low52.3Low153 Ų15385.9 Ų85.967%0.66544%0.443SS*.Hα-helixtrans-62.3-19.4179.8-73.8-174.8179.9174.50113.9I232 R234I232-K236 PolarHBondContact O-N 3.11Å; R234-K236 PolarHBondContact O-N 3.3Å
237T56.7Low53Low101 Ų10181.6 Ų81.662%0.6242%0.42SS*.Hα-helixtrans-92.5-21.3178.7-42.90000112.2Q233 R234 Y235Q233-T237 PolarHBondContact O-N 3.3Å; Q233-T237 PolarHBondContact O-OG1 3.42Å; R234-T237 WeakPolarHBondContact O-CA 3.45Å; R234-T237 WeakPolarHBondContact O-CB 3.46Å; R234-T237 PolarHBondContact O-N 3.36Å; Y235-T237 PolarHBondContact O-N 3.17Å; Y235-T237 VanDerWaalsContact O-N 3.09Å
238I67.2Low53.4Low24 Ų2480.6 Ų80.612%0.12342%0.415CS..Hα-helixtrans-101.3-42.2-173.9-64.3165.2000112.1V18 E19 F22 R234 Y235V18-I238 HydrophobicContact CG1-CG2 4.03Å; E19-I238 PolarHBondContact N-O 3.47Å; F22-I238 HydrophobicContact CB-CG2 4.06Å; R234-I238 HydrophobicContact CB-CD1 4.13Å; R234-I238 HydrophobicContact CG-CD1 4.06Å; R234-I238 WeakPolarHBondContact O-CG1 3.17Å; R234-I238 PolarHBondContact O-N 3.36Å; R234-I238 VanDerWaalsContact O-N 3.08Å; Y235-I238 PolarHBondContact O-N 3.14Å
239I77.2Confident52.9Low7 Ų781.4 Ų81.44%0.03642%0.417CS..EExtended strand (participates in β ladder)trans-115.8132.8-174.7-59.1-157.2000112.3V16 V18 D26 I27 A30 Y235V16-I239 HydrophobicContact CG1-CG2 3.41Å; V16-I239 VanDerWaalsContact CG1-CG2 3.41Å; V18-I239 HydrophobicContact CG1-CG1 4.23Å; V18-I239 HydrophobicContact CG2-CD1 4.09Å; V18-I239 HydrophobicContact CG2-CG1 4.1Å; D26-I239 HydrophobicContact CB-CD1 3.47Å; D26-I239 VanDerWaalsContact CB-CD1 3.47Å; D26-I239 HydrophobicContact CB-CG1 4.15Å; I27-I239 HydrophobicContact CD1-CD1 3.82Å; A30-I239 HydrophobicContact CB-CG2 4.14Å; Y235-I239 HydrophobicContact CD2-CB 4.35Å; Y235-I239 HydrophobicContact CE2-CB 4.05Å; Y235-I239 HydrophobicContact CE2-CG2 4.36Å; Y235-I239 PolarHBondContact O-N 3.34Å
240K76.9Confident52.3Low95 Ų9578.6 Ų78.641%0.41341%0.407SS..EExtended strand (participates in β ladder)trans-121.2108.2176-69.4170.8-172.9165.90110.1Y17 E19Y17-K240 PolarHBondContact N-O 2.72Å; Y17-K240 PolarHBondContact O-N 3.37Å; E19-K240 IonicContact OE1-NZ 2.7Å; E19-K240 PolarHBondContact OE1-NZ 3.08Å; E19-K240 IonicContact OE2-NZ 3.46Å; E19-K240 PolarHBondContact OE2-NZ 3.36Å
241I75Confident51.8Low25 Ų2580.9 Ų80.913%0.12842%0.423CS..EExtended strand (participates in β ladder)trans-80.1129.4172.3-47167.9000109.4A14 A30 D33 V34 Y235A14-I241 HydrophobicContact CB-CG2 4.01Å; A30-I241 HydrophobicContact CB-CD1 4.02Å; A30-I241 HydrophobicContact CB-CG1 4.12Å; A30-I241 WeakPolarHBondContact O-CD1 3.47Å; D33-I241 HydrophobicContact CB-CD1 3.68Å; V34-I241 HydrophobicContact CG2-CG2 3.96Å; Y235-I241 WeakPolarHBondContact OH-CD1 3.28Å
242G65.8Low51.1Low30 Ų3084.6 Ų84.631%0.30944%0.44SS..EExtended strand (participates in β ladder)trans-73.9-172.917100000113.3C15C15-G242 WeakPolarHBondContact O-CA 3.33Å; C15-G242 PolarHBondContact O-N 3.07Å
243Q65.1Low50.3Low137 Ų13790.7 Ų90.764%0.6446%0.457SS*.EExtended strand (participates in β ladder)trans-72139.4175.4-170.3177.4-000110.6
244I61.5Low49.7Very low33 Ų3393.5 Ų93.517%0.16947%0.467CS..EExtended strand (participates in β ladder)trans-77.9131.7174-50.4175.3000108.8Y12 Q13 A14 V34 K37 L38Y12-I244 HydrophobicContact CD1-CG2 4.27Å; Y12-I244 HydrophobicContact CG-CG2 4.47Å; Q13-I244 WeakPolarHBondContact O-CA 3.45Å; A14-I244 HydrophobicContact CB-CG1 4.04Å; V34-I244 HydrophobicContact CB-CD1 4.44Å; V34-I244 HydrophobicContact CG1-CD1 4.07Å; K37-I244 HydrophobicContact CB-CD1 3.49Å; K37-I244 VanDerWaalsContact CB-CD1 3.49Å; K37-I244 HydrophobicContact CD-CD1 3.92Å; K37-I244 HydrophobicContact CG-CD1 4.33Å; L38-I244 HydrophobicContact CD1-CG2 3.92Å; L38-I244 HydrophobicContact CD2-CG2 3.84Å; L38-I244 HydrophobicContact CG-CD1 4.12Å; L38-I244 HydrophobicContact CG-CG2 4.07Å
245Q51.9Low48.8Very low83 Ų8389 Ų8939%0.38846%0.463SS..EExtended strand (participates in β ladder)trans-135.4141.6-175-59.9-173.5-7.900110.9Y12 Q13Y12-Q245 CarbonylContact C-O 3.57Å; Y12-Q245 WeakPolarHBondContact CA-O 3.41Å; Q13-Q245 PolarHBondContact N-O 3.32Å; Q13-Q245 PolarHBondContact O-N 3.19Å
246P46.5Very low47.8Very low57 Ų5791.8 Ų91.837%0.3749%0.486SS..EExtended strand (participates in β ladder)trans-66.7141.1170.227.6-32.9000111.4T11 Y12T11-P246 CarbonylContact O-C 3.51Å; T11-P246 VanDerWaalsContact O-CA 3.25Å; T11-P246 WeakPolarHBondContact O-CA 3.45Å; Y12-P246 HydrophobicContact CD1-CB 4.27Å; Y12-P246 HydrophobicContact CE1-CB 4.17Å
247I44.4Very low46.7Very low51 Ų5191.3 Ų91.326%0.26249%0.489SS..  trans-78.6124.3-178.9-60.2160.7000108.5Q8 T11 Q13 T249Q8-I247 HydrophobicContact CG-CD1 3.71Å; T11-I247 WeakPolarHBondContact O-CG1 3.4Å; T11-I247 PolarHBondContact O-N 3.12Å; Q13-I247 HydrophobicContact CB-CD1 4.15Å; Q13-I247 HydrophobicContact CB-CG1 3.78Å; I247-T249 VanDerWaalsContact C-N 3.34Å; I247-T249 HydrophobicContact CG2-CG2 4.22Å; I247-T249 PolarHBondContact O-N 2.71Å
248N38.2Very low45.3Very low118 Ų11894.6 Ų94.663%0.63150%0.502SS*.  trans-76.985.2175.6-168.73.9000110P144 S250P144-N248 VanDerWaalsContact CG-OD1 3.24Å; P144-N248 WeakPolarHBondContact CG-OD1 3.4Å; N248-S250 PolarHBondContact O-N 2.9Å
249T32.8Very low43.6Very low91 Ų91101.1 Ų101.156%0.55854%0.536SS*.  trans-70.891175.859.20000110.1I247I247-T249 VanDerWaalsContact C-N 3.34Å; I247-T249 HydrophobicContact CG2-CG2 4.22Å; I247-T249 PolarHBondContact O-N 2.71Å
250S25.6Very low41.4Very low61 Ų61104 Ų10443%0.42757%0.568SS.*  trans-52.3138.4151.651.40000107.9N248 L252N248-S250 PolarHBondContact O-N 2.9Å; S250-L252 PolarHBondContact O-N 3.03Å
251P29.3Very low39Very low132 Ų132108.5 Ų108.586%0.85759%0.587SS**  trans-67.197.2-158.623.4-34000112R253P251-R253 PolarHBondContact O-N 2.91Å
252L28.4Very low36.9Very low138 Ų138109.6 Ų109.672%0.72360%0.596SS**  trans-50.7134.9172.6-77160.3000109.1S250 K254S250-L252 PolarHBondContact O-N 3.03Å; L252-K254 PolarHBondContact O-N 3.3Å
253R25.4Very low35.3Very low225 Ų225115.7 Ų115.785%0.84962%0.621SS**  trans-54.4134.1178.7-71.8176172172.3-3.4108.4P251 S255P251-R253 PolarHBondContact O-N 2.91Å; R253-S255 PolarHBondContact O-N 3.38Å
254K29.8Very low33.8Very low199 Ų199112.9 Ų112.987%0.86560%0.604SS**SBendtrans-6724.9-170.3-88-161.7171-161.10116.2L252L252-K254 PolarHBondContact O-N 3.3Å
255S27.8Very low32.5Very low85 Ų85114.4 Ų114.459%0.59462%0.618SS**SBendtrans-119133.3174.7510000109.1R253R253-S255 PolarHBondContact O-N 3.38Å
256S25.8Very low31.5Very low82 Ų82118.6 Ų118.657%0.57364%0.638SS**  trans81.865.4169.7-45.20000117.9
257I29.1Very low30.9Very low143 Ų143123.8 Ų123.873%0.73366%0.657SS**  trans-130.191.7136.1-56.4-180000107.1
258L28.8Very low30.5Very low170 Ų170125.1 Ų125.189%0.8967%0.667SS**  trans-117.447.9173.1-156.490000110.7
259L31.2Very low30.5Very low161 Ų161125.6 Ų125.684%0.84367%0.669SS**SBendtrans-135.9102.3172.3-95.1154.3000106.6
260G29.3Very low31Very low68 Ų68126.9 Ų126.970%0.70167%0.668SS**  trans5591.2177.700000115.5P262G260-P262 WeakPolarHBondContact O-CD 3.38Å; G260-P262 VanDerWaalsContact O-N 3.11Å
261K26.9Very low32.1Very low189 Ų189132.8 Ų132.882%0.82269%0.686SS**  trans-55.5114.4174.5-72.8178.1175.5174.30110.9
262P31.9Very low33.6Very low48 Ų48131.7 Ų131.731%0.31268%0.679SS.*  trans-70.8138175.6-17.533.2000110.4G260 W264 S265G260-P262 WeakPolarHBondContact O-CD 3.38Å; G260-P262 VanDerWaalsContact O-N 3.11Å; P262-W264 HydrophobicContact CB-CG 4.45Å; P262-W264 PolarHBondContact O-N 3.35Å; P262-S265 WeakPolarHBondContact O-CB 3.39Å; P262-S265 PolarHBondContact O-N 2.9Å
263L30.9Very low35.6Very low159 Ų159126.1 Ų126.183%0.83265%0.65SS**G310 helixtrans-57.1-28.1-172-15377.3000113.3S265L263-S265 VanDerWaalsContact C-N 3.25Å; L263-S265 PolarHBondContact O-N 2.96Å
264W35Very low38.2Very low77 Ų77120.8 Ų120.829%0.29264%0.635SS.*G310 helixtrans-71.7-11.1-179.870-101.6000114.5T11 P262 Q266 Q267 V268T11-W264 HydrophobicContact CG2-CH2 3.81Å; T11-W264 HydrophobicContact CG2-CZ2 3.41Å; T11-W264 VanDerWaalsContact CG2-CZ2 3.41Å; P262-W264 HydrophobicContact CB-CG 4.45Å; P262-W264 PolarHBondContact O-N 3.35Å; W264-Q266 PolarHBondContact O-N 3.31Å; W264-Q267 PolarHBondContact O-N 2.82Å; W264-V268 HydrophobicContact CB-CG2 4.07Å; W264-V268 HydrophobicContact CD2-CG2 4.3Å; W264-V268 HydrophobicContact CE3-CB 3.76Å; W264-V268 HydrophobicContact CE3-CG1 4.45Å; W264-V268 HydrophobicContact CE3-CG2 3.63Å; W264-V268 HydrophobicContact CZ3-CB 4.14Å; W264-V268 HydrophobicContact CZ3-CG1 4.48Å; W264-V268 HydrophobicContact CZ3-CG2 4.42Å; W264-V268 PolarHBondContact O-N 2.98Å
265S33.3Very low40.8Very low65 Ų65111.3 Ų111.346%0.45559%0.594SS.*G310 helixtrans-64.7-7-177.992.10000114.3P262 L263P262-S265 WeakPolarHBondContact O-CB 3.39Å; P262-S265 PolarHBondContact O-N 2.9Å; L263-S265 VanDerWaalsContact C-N 3.25Å; L263-S265 PolarHBondContact O-N 2.96Å
266Q31.6Very low43.6Very low171 Ų171107.9 Ų107.980%0.79957%0.569SS**G310 helixtrans-99.8-17.1169.8-81.1-179.1-46.800114.5W264W264-Q266 PolarHBondContact O-N 3.31Å
267Q33.7Very low46.5Very low166 Ų166105 Ų10578%0.77655%0.547SS*.THydrogen-bonded Turntrans-109-24.2-167.9-68.3-172.9-6.700115.4W264W264-Q267 PolarHBondContact O-N 2.82Å
268V35Very low49.2Very low80 Ų8098.3 Ų98.349%0.48551%0.513SS..SBendtrans-91.3-6.1-169.3-176.70000114.1W264W264-V268 HydrophobicContact CB-CG2 4.07Å; W264-V268 HydrophobicContact CD2-CG2 4.3Å; W264-V268 HydrophobicContact CE3-CB 3.76Å; W264-V268 HydrophobicContact CE3-CG1 4.45Å; W264-V268 HydrophobicContact CE3-CG2 3.63Å; W264-V268 HydrophobicContact CZ3-CB 4.14Å; W264-V268 HydrophobicContact CZ3-CG1 4.48Å; W264-V268 HydrophobicContact CZ3-CG2 4.42Å; W264-V268 PolarHBondContact O-N 2.98Å
269I38.3Very low52Low128 Ų12891.4 Ų91.466%0.65648%0.475SS*.SBendtrans-85.3-14.5-171.4-72.7175.1000114.5
270E44.5Very low54.5Low118 Ų11886 Ų8655%0.55145%0.446SS*.  trans-11610.1-157.4-62.1-160.1156.900119P272 H741E270-P272 WeakPolarHBondContact O-CD 3.28Å; E270-H741 IonicContact OE1-CE1 2.77Å
271K49Very low57Low184 Ų18488 Ų8880%0.844%0.44SS*.  trans-100.193.8164.8-73.3-156.2174.4-169.50111.6N145N145-K271 PolarHBondContact ND2-O 2.82Å
272P60.7Low59.4Low110 Ų11085.4 Ų85.471%0.71443%0.425SS*.  trans-60.2154.2175.326.9-34.8000111E270 E274E270-P272 WeakPolarHBondContact O-CD 3.28Å; P272-E274 PolarHBondContact O-N 2.87Å
273L70.7Confident61.4Low20 Ų2092.1 Ų92.111%0.10544%0.444CS..  trans-81115.7-171.6-164.9150.9000110F100 A140 I143 N145 V275F100-L273 HydrophobicContact CD2-CD2 3.85Å; F100-L273 HydrophobicContact CE2-CD2 3.65Å; F100-L273 HydrophobicContact CE2-CG 4.37Å; A140-L273 HydrophobicContact CB-CD2 4.31Å; A140-L273 WeakPolarHBondContact O-CD1 3.42Å; A140-L273 WeakPolarHBondContact O-CD2 3.14Å; I143-L273 HydrophobicContact CG1-CD1 3.87Å; I143-L273 VanDerWaalsContact O-CD1 3.27Å; I143-L273 WeakPolarHBondContact O-CD1 3.24Å; N145-L273 HydrophobicContact CB-CB 4.38Å; N145-L273 HydrophobicContact CB-CD1 4.13Å; N145-L273 HydrophobicContact CB-CG 4.4Å; L273-V275 HydrophobicContact CD2-CG2 3.66Å; L273-V275 PolarHBondContact O-N 2.87Å
274E79.5Confident62.9Low114 Ų11486.2 Ų86.253%0.53342%0.416SS..  trans-76.3120.2-175.3-77.6-171.7-144.300112P272 N324P272-E274 PolarHBondContact O-N 2.87Å; E274-N324 CarbonylContact C-O 3.59Å; E274-N324 WeakPolarHBondContact CA-O 3.35Å; E274-N324 HydrophobicContact CB-CB 3.75Å; E274-N324 HydrophobicContact CG-CB 4.17Å; E274-N324 PolarHBondContact OE2-ND2 2.95Å; E274-N324 VanDerWaalsContact OE2-ND2 3.14Å
275V84.9Confident64.4Low0 Ų087.9 Ų87.90%045%0.446CS..BIsolated β-bridgetrans-125112.7-176.6174.40000109.8L126 K137 A140 Y141 L273 N324 N325 C326L126-V275 HydrophobicContact CD1-CG1 3.8Å; K137-V275 HydrophobicContact CB-CG1 4.14Å; K137-V275 HydrophobicContact CD-CG1 4.35Å; K137-V275 HydrophobicContact CG-CG1 4.08Å; A140-V275 HydrophobicContact CB-CG2 3.88Å; Y141-V275 HydrophobicContact CD1-CG2 4.04Å; Y141-V275 HydrophobicContact CD2-CG2 4.04Å; Y141-V275 HydrophobicContact CE1-CB 4.14Å; Y141-V275 HydrophobicContact CE1-CG2 3.73Å; Y141-V275 HydrophobicContact CE2-CB 3.8Å; Y141-V275 HydrophobicContact CE2-CG1 3.81Å; Y141-V275 HydrophobicContact CE2-CG2 3.73Å; Y141-V275 HydrophobicContact CG-CG2 4.21Å; L273-V275 HydrophobicContact CD2-CG2 3.66Å; L273-V275 PolarHBondContact O-N 2.87Å; V275-N324 PolarHBondContact N-O 2.98Å; V275-N324 CarbonylContact O-C 3.48Å; V275-N324 WeakPolarHBondContact O-CA 3.44Å; V275-N325 PolarHBondContact O-N 2.83Å; V275-N325 VanDerWaalsContact O-N 3.16Å; V275-C326 HydrophobicContact CG1-CB 4.28Å; V275-C326 WeakPolarHBondContact O-CB 3.23Å; V275-C326 PolarHBondContact O-N 3.28Å
276P85.1Confident66.2Low12 Ų1292.5 Ų92.58%0.07846%0.458CS..  trans-73.9157.2-173.529.8-38.3000114.4F100 V102 L126 K137 N324 C326F100-P276 WeakPolarHBondContact O-CG 3.33Å; V102-P276 HydrophobicContact CG2-CB 4.05Å; V102-P276 HydrophobicContact CG2-CG 3.72Å; L126-P276 HydrophobicContact CD2-CG 3.69Å; K137-P276 WeakPolarHBondContact CE-O 3.42Å; K137-P276 PolarHBondContact NZ-O 2.91Å; P276-N324 WeakPolarHBondContact CA-OD1 3.41Å; P276-N324 WeakPolarHBondContact CB-OD1 3.3Å; P276-C326 VanDerWaalsContact O-CB 3.3Å; P276-C326 WeakPolarHBondContact O-CB 3.42Å
277H87Confident68.1Low22 Ų2288.9 Ų88.910%0.10245%0.45CS..  trans-82.9147.3175.3-70.1-95.9000112.6K137 F279 C307 C310 L312 I322 P323 N325 C326K137-H277 VanDerWaalsContact NZ-C 3.34Å; H277-F279 HydrophobicContact CB-CD2 3.92Å; H277-F279 HydrophobicContact CB-CE1 4.3Å; H277-F279 HydrophobicContact CB-CE2 3.38Å; H277-F279 HydrophobicContact CB-CZ 3.59Å; H277-C307 HydrophobicContact CB-CB 4.34Å; H277-C307 PolarHBondContact ND1-SG 3.24Å; H277-C310 VanDerWaalsContact CE1-SG 3.52Å; H277-C310 PolarHBondContact ND1-SG 3.16Å; H277-L312 VanDerWaalsContact CE1-CD2 3.46Å; H277-L312 WeakPolarHBondContact CE1-CD2 3.35Å; H277-I322 WeakPolarHBondContact CD2-CG2 3.36Å; H277-P323 PolarHBondContact CD2-O 2.96Å; H277-P323 VanDerWaalsContact CD2-O 3.23Å; H277-P323 PolarHBondContact NE2-O 2.9Å; H277-N325 PolarHBondContact NE2-OD1 3.44Å; H277-N325 VanDerWaalsContact NE2-OD1 3.11Å; H277-C326 HydrophobicContact CB-CB 4.31Å; H277-C326 VanDerWaalsContact CE1-CA 3.49Å; H277-C326 WeakPolarHBondContact CE1-CA 3.28Å; H277-C326 PolarHBondContact ND1-SG 3.25Å; H277-C326 VanDerWaalsContact ND1-SG 3.4Å
278T86.3Confident70.3Confident3 Ų382.7 Ų82.72%0.01842%0.421CS..  trans-106.782.5-179.3-64.40000109.3V102 R123 K137 E280 C307 K308 D309V102-T278 HydrophobicContact CG1-CG2 4.18Å; V102-T278 WeakPolarHBondContact CG1-OG1 3.28Å; R123-T278 HydrophobicContact CB-CG2 3.77Å; K137-T278 WeakPolarHBondContact CE-OG1 3.48Å; K137-T278 PolarHBondContact NZ-OG1 2.72Å; T278-E280 PolarHBondContact O-N 3.32Å; T278-C307 PolarHBondContact N-SG 2.84Å; T278-C307 CarbonylContact O-C 3.6Å; T278-C307 VanDerWaalsContact O-CA 3.31Å; T278-C307 WeakPolarHBondContact O-CA 3.43Å; T278-K308 HydrophobicContact CG2-CB 4.25Å; T278-K308 PolarHBondContact O-N 3.21Å; T278-D309 WeakPolarHBondContact CB-OD2 3.44Å; T278-D309 PolarHBondContact OG1-OD2 3.42Å
279F87.1Confident72.6Confident24 Ų2482.2 Ų82.211%0.10542%0.419CS..EExtended strand (participates in β ladder)trans-79.9114.3-174.4-72.3-63.7000113.5R123 H277 L305 Q306 C307 L312 V314 A319 I322R123-F279 PolarHBondContact NH1-O 3.26Å; H277-F279 HydrophobicContact CB-CD2 3.92Å; H277-F279 HydrophobicContact CB-CE1 4.3Å; H277-F279 HydrophobicContact CB-CE2 3.38Å; H277-F279 HydrophobicContact CB-CZ 3.59Å; F279-L305 HydrophobicContact CB-CB 4.07Å; F279-L305 HydrophobicContact CB-CD1 3.98Å; F279-L305 HydrophobicContact CB-CG 4.42Å; F279-L305 HydrophobicContact CD1-CB 4.11Å; F279-L305 HydrophobicContact CG-CB 4.35Å; F279-Q306 WeakPolarHBondContact CA-O 3.36Å; F279-C307 HydrophobicContact CD1-CB 4.07Å; F279-C307 HydrophobicContact CE1-CB 3.87Å; F279-L312 HydrophobicContact CE1-CD2 4.29Å; F279-L312 HydrophobicContact CE1-CG 4.48Å; F279-L312 HydrophobicContact CZ-CD2 4.02Å; F279-V314 HydrophobicContact CD1-CG2 3.76Å; F279-V314 HydrophobicContact CE1-CG1 4.36Å; F279-V314 HydrophobicContact CE1-CG2 3.45Å; F279-V314 VanDerWaalsContact CE1-CG2 3.45Å; F279-V314 HydrophobicContact CE2-CG2 4.41Å; F279-V314 HydrophobicContact CG-CG2 4.41Å; F279-V314 HydrophobicContact CZ-CG1 4.41Å; F279-V314 HydrophobicContact CZ-CG2 3.81Å; F279-A319 HydrophobicContact CD2-CB 3.58Å; F279-A319 HydrophobicContact CE2-CB 3.85Å; F279-A319 HydrophobicContact CG-CB 4.05Å; F279-I322 HydrophobicContact CE2-CB 4.28Å; F279-I322 HydrophobicContact CE2-CG1 4.43Å; F279-I322 HydrophobicContact CE2-CG2 4.45Å; F279-I322 HydrophobicContact CZ-CB 4.19Å; F279-I322 HydrophobicContact CZ-CG1 4.01Å; F279-I322 HydrophobicContact CZ-CG2 4.16Å
280E84.7Confident75Confident49 Ų4976.1 Ų76.123%0.22939%0.387CS..EExtended strand (participates in β ladder)trans-107.4150.9173.4-68.5-179.6171.600111.1T278 R282 L305 Q306 K308T278-E280 PolarHBondContact O-N 3.32Å; E280-R282 PolarHBondContact O-N 3.28Å; E280-L305 CarbonylContact O-C 3.58Å; E280-L305 WeakPolarHBondContact O-CA 3.5Å; E280-Q306 PolarHBondContact N-O 2.8Å; E280-Q306 PolarHBondContact O-N 3.23Å; E280-K308 HydrophobicContact CG-CB 4.5Å; E280-K308 VanDerWaalsContact OE1-CD 3.29Å; E280-K308 WeakPolarHBondContact OE1-CD 3.27Å
281L81.4Confident77Confident110 Ų11076 Ų7658%0.57639%0.387SS*.EExtended strand (participates in β ladder)trans-76.3114175.8-167.876.1000109.7Q303 G304 L305L281-Q303 HydrophobicContact CD1-CB 4.32Å; L281-G304 WeakPolarHBondContact CA-O 3.48Å; L281-L305 HydrophobicContact CB-CD2 4.33Å; L281-L305 HydrophobicContact CD1-CD2 4.16Å
282R77.2Confident78.9Confident134 Ų13469.9 Ų69.951%0.50636%0.362SS..EExtended strand (participates in β ladder)trans-120.7148.2178.3-76.3-85.6-179.4163.2-2.7110.4E280 G304 Q306 W313E280-R282 PolarHBondContact O-N 3.28Å; R282-G304 PolarHBondContact N-O 3.3Å; R282-G304 PolarHBondContact O-N 2.87Å; R282-G304 VanDerWaalsContact O-N 3.14Å; R282-Q306 HydrophobicContact CB-CB 4.01Å; R282-Q306 HydrophobicContact CG-CB 3.98Å; R282-W313 HydrophobicContact CB-CH2 3.4Å; R282-W313 HydrophobicContact CB-CZ2 4.13Å; R282-W313 HydrophobicContact CB-CZ3 3.86Å
283R73.7Confident80.2Confident188 Ų18866.5 Ų66.571%0.70934%0.341SS*.EExtended strand (participates in β ladder)trans-104.3137.8171.2-59.6-177.9-171.2-178.63.3108.3
284S61.6Low81Confident36 Ų3672 Ų7225%0.25237%0.366SS..  trans-134.4138172.9-179.60000109.9K286S284-K286 VanDerWaalsContact C-N 3.33Å; S284-K286 PolarHBondContact OG-N 3.02Å
285A67.3Low81.1Confident111 Ų11175.1 Ų75.192%0.91737%0.373SS*.SBendtrans-76.1-22173.600000112.6
286K70.1Confident80.9Confident162 Ų16278 Ų7870%0.70439%0.388SS*.SBendtrans-82.1146.5178.4-69.4-176.4173.9-179.70110.7S284 I288S284-K286 VanDerWaalsContact C-N 3.33Å; S284-K286 PolarHBondContact OG-N 3.02Å; K286-I288 PolarHBondContact O-N 2.86Å
287P72.1Confident80.5Confident96 Ų9677.7 Ų77.762%0.62339%0.386SS*.  trans-65.8117.117227.2-33.5000110.3L296P287-L296 HydrophobicContact CB-CD1 4Å
288I80.8Confident79.3Confident36 Ų3683.8 Ų83.819%0.18541%0.414CS..  trans-114.3142.9177.5-56.5-179.2000109.7K286 L296 L297 W313K286-I288 PolarHBondContact O-N 2.86Å; I288-L296 WeakPolarHBondContact O-CD1 3.42Å; I288-L297 HydrophobicContact CB-CD1 4.28Å; I288-L297 HydrophobicContact CG2-CD1 4.1Å; I288-L297 WeakPolarHBondContact O-CD1 3.23Å; I288-L297 PolarHBondContact O-N 3.11Å; I288-W313 HydrophobicContact CD1-CD2 3.68Å; I288-W313 HydrophobicContact CD1-CE3 4.18Å; I288-W313 HydrophobicContact CD1-CG 4.1Å; I288-W313 HydrophobicContact CD1-CH2 4.1Å; I288-W313 HydrophobicContact CD1-CZ2 3.62Å; I288-W313 HydrophobicContact CD1-CZ3 4.38Å; I288-W313 HydrophobicContact CG2-CB 3.51Å; I288-W313 HydrophobicContact CG2-CD2 4.06Å; I288-W313 HydrophobicContact CG2-CG 3.59Å
289V82Confident77.8Confident70 Ų7085.8 Ų85.842%0.42444%0.435SS..BIsolated β-bridgetrans-101.2141.8177178.30000109.6H294 L296V289-H294 VanDerWaalsContact CG1-C 3.4Å; V289-H294 HydrophobicContact CG1-CB 4.49Å; V289-H294 WeakPolarHBondContact CG1-O 3.38Å; V289-L296 HydrophobicContact CG2-CD1 4.34Å
290C89Confident75.9Confident0 Ų092.8 Ų92.80%047%0.473CS..  trans-77.1123.5177.6171.30000110.1N292 C293 H294 R295 L297 V314 H315C290-N292 PolarHBondContact O-N 3.19Å; C290-N292 VanDerWaalsContact O-N 3.14Å; C290-C293 PolarHBondContact O-N 3.34Å; C290-H294 VanDerWaalsContact O-CA 3.26Å; C290-H294 WeakPolarHBondContact O-CA 3.49Å; C290-H294 PolarHBondContact O-N 3.38Å; C290-R295 WeakPolarHBondContact CB-O 3.4Å; C290-R295 PolarHBondContact N-O 3.37Å; C290-L297 HydrophobicContact CB-CD1 3.98Å; C290-L297 VanDerWaalsContact N-CD1 3.28Å; C290-V314 VanDerWaalsContact SG-CA 3.57Å; C290-H315 WeakPolarHBondContact CB-CE1 3.37Å; C290-H315 VanDerWaalsContact CB-ND1 3.26Å; C290-H315 WeakPolarHBondContact CB-ND1 3.49Å; C290-H315 PolarHBondContact SG-N 2.92Å; C290-H315 PolarHBondContact SG-ND1 3.37Å
291Q87Confident74.2Confident115 Ų11598.4 Ų98.454%0.53750%0.497SS..THydrogen-bonded Turntrans-63.3-23.6-176.4-158.770.3900113.8H294 L312 W313Q291-H294 PolarHBondContact O-CE1 3.33Å; Q291-L312 HydrophobicContact CB-CD1 3.47Å; Q291-L312 VanDerWaalsContact CB-CD1 3.47Å; Q291-L312 HydrophobicContact CB-CG 4.49Å; Q291-L312 HydrophobicContact CG-CD1 3.62Å; Q291-W313 PolarHBondContact N-O 3.32Å
292N89Confident72.8Confident55 Ų5597.2 Ų97.229%0.29449%0.485SS..THydrogen-bonded Turntrans-82.6-38.3-176.8-168.6101.7000114.2C290 C318 S321 I322C290-N292 PolarHBondContact O-N 3.19Å; C290-N292 VanDerWaalsContact O-N 3.14Å; N292-C318 HydrophobicContact CB-CB 3.71Å; N292-S321 VanDerWaalsContact OD1-C 3.31Å; N292-S321 WeakPolarHBondContact OD1-CB 3.5Å; N292-S321 PolarHBondContact OD1-O 3.45Å; N292-I322 HydrophobicContact CB-CD1 3.8Å
293C88.4Confident72.2Confident40 Ų4096.9 Ų96.927%0.2749%0.489SS..THydrogen-bonded Turntrans-121.92.3-173.372.30000113.1C290 R295 H315C290-C293 PolarHBondContact O-N 3.34Å; C293-R295 PolarHBondContact O-N 2.89Å; C293-H315 PolarHBondContact SG-CE1 2.86Å; C293-H315 PolarHBondContact SG-ND1 3.48Å
294H86.6Confident72.5Confident136 Ų13688 Ų8863%0.6346%0.456SS*.  trans53.818.6179.6-52-70.5000115V289 C290 Q291V289-H294 VanDerWaalsContact CG1-C 3.4Å; V289-H294 HydrophobicContact CG1-CB 4.49Å; V289-H294 WeakPolarHBondContact CG1-O 3.38Å; C290-H294 VanDerWaalsContact O-CA 3.26Å; C290-H294 WeakPolarHBondContact O-CA 3.49Å; C290-H294 PolarHBondContact O-N 3.38Å; Q291-H294 PolarHBondContact O-CE1 3.33Å
295R83.1Confident73.6Confident179 Ų17987.3 Ų87.368%0.67545%0.449SS*.  trans-97.6149.9173.2-61.2180-167.4-165.82.9111.2C290 C293 H315C290-R295 WeakPolarHBondContact CB-O 3.4Å; C290-R295 PolarHBondContact N-O 3.37Å; C293-R295 PolarHBondContact O-N 2.89Å; R295-H315 PolarHBondContact O-CE1 3.33Å; R295-H315 VanDerWaalsContact O-CE1 3.3Å
296L79.8Confident74.6Confident61 Ų6183.6 Ų83.632%0.31941%0.413SS..BIsolated β-bridgetrans-59.6144.3178.1-162.770.5000111.8P287 I288 V289 H298 H315P287-L296 HydrophobicContact CB-CD1 4Å; I288-L296 WeakPolarHBondContact O-CD1 3.42Å; V289-L296 HydrophobicContact CG2-CD1 4.34Å; L296-H298 PolarHBondContact O-CD2 3.02Å; L296-H298 VanDerWaalsContact O-CD2 3.27Å; L296-H298 PolarHBondContact O-N 3.31Å; L296-H315 PolarHBondContact O-NE2 2.66Å
297L77.4Confident75.4Confident5 Ų575.9 Ų75.93%0.02638%0.379CS..  trans-78.4108.4172.2-70.787.1000109.9I288 C290 R302 W313 V314I288-L297 HydrophobicContact CB-CD1 4.28Å; I288-L297 HydrophobicContact CG2-CD1 4.1Å; I288-L297 WeakPolarHBondContact O-CD1 3.23Å; I288-L297 PolarHBondContact O-N 3.11Å; C290-L297 HydrophobicContact CB-CD1 3.98Å; C290-L297 VanDerWaalsContact N-CD1 3.28Å; L297-R302 WeakPolarHBondContact O-CD 3.41Å; L297-R302 WeakPolarHBondContact O-CG 3.2Å; L297-W313 HydrophobicContact CD2-CE3 4.26Å; L297-V314 WeakPolarHBondContact CD2-O 3.47Å
298H60.1Low75.9Confident149 Ų14975 Ų7569%0.6937%0.365SS*.  trans-81.7150.2-174.2-65.7178.4000113.4L296L296-H298 PolarHBondContact O-CD2 3.02Å; L296-H298 VanDerWaalsContact O-CD2 3.27Å; L296-H298 PolarHBondContact O-N 3.31Å
299G55.9Low75.9Confident45 Ų4574.9 Ų74.946%0.46437%0.365SS..SBendtrans137.3148.8173.700000113F301 R302G299-F301 PolarHBondContact O-N 3.02Å; G299-R302 WeakPolarHBondContact O-CG 3.01Å; G299-R302 PolarHBondContact O-N 2.78Å
300L46.2Very low75.9Confident172 Ų17273.2 Ų73.290%0.90136%0.357SS*.THydrogen-bonded Turntrans-60.7-27.1-173.6-92154.3000114.8
301F49.2Very low75.7Confident167 Ų16777.8 Ų77.873%0.73238%0.377SS*.THydrogen-bonded Turntrans-131.339.8166.8-63.4-79.8000111.3G299G299-F301 PolarHBondContact O-N 3.02Å
302R52.3Low75.8Confident84 Ų8473.9 Ų73.932%0.31736%0.359SS..  trans25.190.3172.6-59.9-173.3-175.2-162.14.1115.7L297 G299 G304L297-R302 WeakPolarHBondContact O-CD 3.41Å; L297-R302 WeakPolarHBondContact O-CG 3.2Å; G299-R302 WeakPolarHBondContact O-CG 3.01Å; G299-R302 PolarHBondContact O-N 2.78Å; R302-G304 PolarHBondContact O-N 3.08Å
303Q65.6Low75.8Confident127 Ų12773.2 Ų73.259%0.59335%0.352SS*.EExtended strand (participates in β ladder)trans-87.9103.8178.5-63.4178.110.400110.1L281L281-Q303 HydrophobicContact CD1-CB 4.32Å
304G78.8Confident75.9Confident1 Ų171.3 Ų71.31%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-115.2160.2177.900000113L281 R282 R302L281-G304 WeakPolarHBondContact CA-O 3.48Å; R282-G304 PolarHBondContact N-O 3.3Å; R282-G304 PolarHBondContact O-N 2.87Å; R282-G304 VanDerWaalsContact O-N 3.14Å; R302-G304 PolarHBondContact O-N 3.08Å
305L85.5Confident76Confident23 Ų2366.3 Ų66.312%0.1232%0.317CS..EExtended strand (participates in β ladder)trans-89.8126.7162.9-72.5-172.7000108.7F279 E280 L281 W313 V314 K316 A319F279-L305 HydrophobicContact CB-CB 4.07Å; F279-L305 HydrophobicContact CB-CD1 3.98Å; F279-L305 HydrophobicContact CB-CG 4.42Å; F279-L305 HydrophobicContact CD1-CB 4.11Å; F279-L305 HydrophobicContact CG-CB 4.35Å; E280-L305 CarbonylContact O-C 3.58Å; E280-L305 WeakPolarHBondContact O-CA 3.5Å; L281-L305 HydrophobicContact CB-CD2 4.33Å; L281-L305 HydrophobicContact CD1-CD2 4.16Å; L305-W313 WeakPolarHBondContact O-CA 3.08Å; L305-V314 HydrophobicContact CB-CG2 3.96Å; L305-V314 PolarHBondContact N-O 3.33Å; L305-V314 PolarHBondContact O-N 3.25Å; L305-K316 HydrophobicContact CD1-CB 4.3Å; L305-K316 HydrophobicContact CD1-CG 4.18Å; L305-K316 HydrophobicContact CG-CB 4.39Å; L305-A319 HydrophobicContact CD1-CB 3.72Å
306Q88.5Confident76Confident32 Ų3266 Ų6615%0.1532%0.32CS..EExtended strand (participates in β ladder)trans-114.2132.6171.6-167.9-177.717.200109F279 E280 R282 K308 K311 L312 W313F279-Q306 WeakPolarHBondContact CA-O 3.36Å; E280-Q306 PolarHBondContact N-O 2.8Å; E280-Q306 PolarHBondContact O-N 3.23Å; R282-Q306 HydrophobicContact CB-CB 4.01Å; R282-Q306 HydrophobicContact CG-CB 3.98Å; Q306-K308 PolarHBondContact O-N 3.36Å; Q306-K311 WeakPolarHBondContact CG-O 3.26Å; Q306-K311 PolarHBondContact NE2-O 3.43Å; Q306-K311 VanDerWaalsContact NE2-O 3.11Å; Q306-L312 CarbonylContact C-O 3.39Å; Q306-L312 VanDerWaalsContact CA-O 3.31Å; Q306-L312 WeakPolarHBondContact CA-O 3.3Å; Q306-W313 HydrophobicContact CB-CD2 3.84Å; Q306-W313 HydrophobicContact CB-CE3 4Å; Q306-W313 HydrophobicContact CB-CG 4.42Å; Q306-W313 HydrophobicContact CB-CH2 4.24Å; Q306-W313 HydrophobicContact CB-CZ2 4.04Å; Q306-W313 HydrophobicContact CB-CZ3 4.2Å; Q306-W313 VanDerWaalsContact CD-CZ2 3.48Å; Q306-W313 VanDerWaalsContact CD-NE1 3.29Å; Q306-W313 HydrophobicContact CG-CD2 3.88Å; Q306-W313 HydrophobicContact CG-CG 4.12Å; Q306-W313 HydrophobicContact CG-CZ2 4.03Å
307C87.3Confident76.2Confident0 Ų070.7 Ų70.70%034%0.338CS..EExtended strand (participates in β ladder)trans-65.8119.6168.2-1730000108.4H277 T278 F279 D309 C310 K311 L312 C326H277-C307 HydrophobicContact CB-CB 4.34Å; H277-C307 PolarHBondContact ND1-SG 3.24Å; T278-C307 PolarHBondContact N-SG 2.84Å; T278-C307 CarbonylContact O-C 3.6Å; T278-C307 VanDerWaalsContact O-CA 3.31Å; T278-C307 WeakPolarHBondContact O-CA 3.43Å; F279-C307 HydrophobicContact CD1-CB 4.07Å; F279-C307 HydrophobicContact CE1-CB 3.87Å; C307-D309 PolarHBondContact O-N 3.36Å; C307-C310 VanDerWaalsContact SG-SG 3.63Å; C307-K311 WeakPolarHBondContact O-CA 3.4Å; C307-K311 PolarHBondContact O-N 2.77Å; C307-L312 HydrophobicContact CB-CB 3.91Å; C307-L312 PolarHBondContact N-O 3.41Å; C307-C326 PolarHBondContact SG-SG 3.46Å
308K81.2Confident76.7Confident77 Ų7770.9 Ų70.934%0.33534%0.339SS..THydrogen-bonded Turntrans-56-34.8-178.6175.2169.9171-179.50112.1T278 E280 Q306 K311T278-K308 HydrophobicContact CG2-CB 4.25Å; T278-K308 PolarHBondContact O-N 3.21Å; E280-K308 HydrophobicContact CG-CB 4.5Å; E280-K308 VanDerWaalsContact OE1-CD 3.29Å; E280-K308 WeakPolarHBondContact OE1-CD 3.27Å; Q306-K308 PolarHBondContact O-N 3.36Å; K308-K311 WeakPolarHBondContact O-CD 3.17Å; K308-K311 WeakPolarHBondContact O-CE 3.36Å; K308-K311 PolarHBondContact O-NZ 3.01Å
309D81Confident77.9Confident34 Ų3464.7 Ų64.718%0.18231%0.314CS..THydrogen-bonded Turntrans-85.4-75.9-173.2-34.3-100.5000111.5K137 T278 C307 K311 G328 E329K137-D309 HydrophobicContact CD-CB 4.26Å; K137-D309 WeakPolarHBondContact CE-OD2 3.33Å; K137-D309 IonicContact NZ-OD2 3.33Å; K137-D309 PolarHBondContact NZ-OD2 3.43Å; T278-D309 WeakPolarHBondContact CB-OD2 3.44Å; T278-D309 PolarHBondContact OG1-OD2 3.42Å; C307-D309 PolarHBondContact O-N 3.36Å; D309-K311 WeakPolarHBondContact O-CD 3.26Å; D309-K311 VanDerWaalsContact O-CE 3.24Å; D309-K311 WeakPolarHBondContact O-CE 3.42Å; D309-K311 PolarHBondContact O-N 3.42Å; D309-K311 VanDerWaalsContact O-N 3.13Å; D309-G328 CarbonylContact C-O 3.55Å; D309-E329 HydrophobicContact CB-CG 4.39Å; D309-E329 WeakPolarHBondContact O-CG 3.39Å
310C81.9Confident79Confident36 Ų3668.8 Ų68.824%0.24333%0.33CS..THydrogen-bonded Turntrans-78.98.8-177.767.30000114.7H277 C307 L312 C326 G328H277-C310 VanDerWaalsContact CE1-SG 3.52Å; H277-C310 PolarHBondContact ND1-SG 3.16Å; C307-C310 VanDerWaalsContact SG-SG 3.63Å; C310-L312 PolarHBondContact O-N 3.4Å; C310-C326 VanDerWaalsContact SG-SG 3.68Å; C310-G328 VanDerWaalsContact CA-O 3.25Å; C310-G328 WeakPolarHBondContact CA-O 3.4Å; C310-G328 WeakPolarHBondContact CB-O 3.29Å; C310-G328 PolarHBondContact N-O 2.94Å
311K85.7Confident80.8Confident96 Ų9664.1 Ų64.142%0.41731%0.312SS..  trans59.99176.2-44.8-52.7174.1-171.50115.8Q306 C307 K308 D309 W313 E329Q306-K311 WeakPolarHBondContact CG-O 3.26Å; Q306-K311 PolarHBondContact NE2-O 3.43Å; Q306-K311 VanDerWaalsContact NE2-O 3.11Å; C307-K311 WeakPolarHBondContact O-CA 3.4Å; C307-K311 PolarHBondContact O-N 2.77Å; K308-K311 WeakPolarHBondContact O-CD 3.17Å; K308-K311 WeakPolarHBondContact O-CE 3.36Å; K308-K311 PolarHBondContact O-NZ 3.01Å; D309-K311 WeakPolarHBondContact O-CD 3.26Å; D309-K311 VanDerWaalsContact O-CE 3.24Å; D309-K311 WeakPolarHBondContact O-CE 3.42Å; D309-K311 PolarHBondContact O-N 3.42Å; D309-K311 VanDerWaalsContact O-N 3.13Å; K311-W313 PolarHBondContact O-NE1 2.82Å; K311-E329 IonicContact NZ-OE1 3.09Å; K311-E329 PolarHBondContact NZ-OE1 3.02Å
312L88.1Confident82.5Confident33 Ų3357.3 Ų57.317%0.17328%0.283CS..  trans-55.9129.9177.9178.669.8000113H277 F279 Q291 Q306 C307 C310 I322H277-L312 VanDerWaalsContact CE1-CD2 3.46Å; H277-L312 WeakPolarHBondContact CE1-CD2 3.35Å; F279-L312 HydrophobicContact CE1-CD2 4.29Å; F279-L312 HydrophobicContact CE1-CG 4.48Å; F279-L312 HydrophobicContact CZ-CD2 4.02Å; Q291-L312 HydrophobicContact CB-CD1 3.47Å; Q291-L312 VanDerWaalsContact CB-CD1 3.47Å; Q291-L312 HydrophobicContact CB-CG 4.49Å; Q291-L312 HydrophobicContact CG-CD1 3.62Å; Q306-L312 CarbonylContact C-O 3.39Å; Q306-L312 VanDerWaalsContact CA-O 3.31Å; Q306-L312 WeakPolarHBondContact CA-O 3.3Å; C307-L312 HydrophobicContact CB-CB 3.91Å; C307-L312 PolarHBondContact N-O 3.41Å; C310-L312 PolarHBondContact O-N 3.4Å; L312-I322 HydrophobicContact CD2-CD1 4.34Å; L312-I322 HydrophobicContact CD2-CG1 4.42Å; L312-I322 HydrophobicContact CD2-CG2 3.87Å
313W89Confident83.9Confident40 Ų4057.1 Ų57.115%0.15229%0.293CS..EExtended strand (participates in β ladder)trans-106.7134.9-179.9-74.187000113.8R282 I288 Q291 L297 L305 Q306 K311R282-W313 HydrophobicContact CB-CH2 3.4Å; R282-W313 HydrophobicContact CB-CZ2 4.13Å; R282-W313 HydrophobicContact CB-CZ3 3.86Å; I288-W313 HydrophobicContact CD1-CD2 3.68Å; I288-W313 HydrophobicContact CD1-CE3 4.18Å; I288-W313 HydrophobicContact CD1-CG 4.1Å; I288-W313 HydrophobicContact CD1-CH2 4.1Å; I288-W313 HydrophobicContact CD1-CZ2 3.62Å; I288-W313 HydrophobicContact CD1-CZ3 4.38Å; I288-W313 HydrophobicContact CG2-CB 3.51Å; I288-W313 HydrophobicContact CG2-CD2 4.06Å; I288-W313 HydrophobicContact CG2-CG 3.59Å; Q291-W313 PolarHBondContact N-O 3.32Å; L297-W313 HydrophobicContact CD2-CE3 4.26Å; L305-W313 WeakPolarHBondContact O-CA 3.08Å; Q306-W313 HydrophobicContact CB-CD2 3.84Å; Q306-W313 HydrophobicContact CB-CE3 4Å; Q306-W313 HydrophobicContact CB-CG 4.42Å; Q306-W313 HydrophobicContact CB-CH2 4.24Å; Q306-W313 HydrophobicContact CB-CZ2 4.04Å; Q306-W313 HydrophobicContact CB-CZ3 4.2Å; Q306-W313 VanDerWaalsContact CD-CZ2 3.48Å; Q306-W313 VanDerWaalsContact CD-NE1 3.29Å; Q306-W313 HydrophobicContact CG-CD2 3.88Å; Q306-W313 HydrophobicContact CG-CG 4.12Å; Q306-W313 HydrophobicContact CG-CZ2 4.03Å; K311-W313 PolarHBondContact O-NE1 2.82Å
314V91Very high84.6Confident0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-145.8159.3177.9-63.40000113.1F279 C290 L297 L305 C318 A319 I322F279-V314 HydrophobicContact CD1-CG2 3.76Å; F279-V314 HydrophobicContact CE1-CG1 4.36Å; F279-V314 HydrophobicContact CE1-CG2 3.45Å; F279-V314 VanDerWaalsContact CE1-CG2 3.45Å; F279-V314 HydrophobicContact CE2-CG2 4.41Å; F279-V314 HydrophobicContact CG-CG2 4.41Å; F279-V314 HydrophobicContact CZ-CG1 4.41Å; F279-V314 HydrophobicContact CZ-CG2 3.81Å; C290-V314 VanDerWaalsContact SG-CA 3.57Å; L297-V314 WeakPolarHBondContact CD2-O 3.47Å; L305-V314 HydrophobicContact CB-CG2 3.96Å; L305-V314 PolarHBondContact N-O 3.33Å; L305-V314 PolarHBondContact O-N 3.25Å; V314-C318 HydrophobicContact CB-CB 4.18Å; V314-A319 HydrophobicContact CG2-CB 3.88Å; V314-I322 HydrophobicContact CG1-CD1 3.8Å; V314-I322 HydrophobicContact CG1-CG1 3.72Å
315H89.2Confident84.8Confident32 Ų3258.2 Ų58.215%0.14830%0.302CS..  trans-66.1152.6164.8-56.5111.2000110.7C290 C293 R295 L296 K317 C318 A319C290-H315 WeakPolarHBondContact CB-CE1 3.37Å; C290-H315 VanDerWaalsContact CB-ND1 3.26Å; C290-H315 WeakPolarHBondContact CB-ND1 3.49Å; C290-H315 PolarHBondContact SG-N 2.92Å; C290-H315 PolarHBondContact SG-ND1 3.37Å; C293-H315 PolarHBondContact SG-CE1 2.86Å; C293-H315 PolarHBondContact SG-ND1 3.48Å; R295-H315 PolarHBondContact O-CE1 3.33Å; R295-H315 VanDerWaalsContact O-CE1 3.3Å; L296-H315 PolarHBondContact O-NE2 2.66Å; H315-K317 HydrophobicContact CB-CG 4.01Å; H315-K317 PolarHBondContact O-N 2.87Å; H315-K317 VanDerWaalsContact O-N 3.12Å; H315-C318 HydrophobicContact CB-CB 4.2Å; H315-C318 WeakPolarHBondContact O-CB 3.47Å; H315-C318 PolarHBondContact O-N 3.11Å; H315-A319 PolarHBondContact O-N 3.13Å
316K83.2Confident84.7Confident172 Ų17257.1 Ų57.175%0.74830%0.297SS*.THydrogen-bonded Turntrans-50.8-38.6175.3-168.6177.5-178.9-178.10113.7L305L305-K316 HydrophobicContact CD1-CB 4.3Å; L305-K316 HydrophobicContact CD1-CG 4.18Å; L305-K316 HydrophobicContact CG-CB 4.39Å
317K82.8Confident84Confident160 Ų16061 Ų6170%0.69632%0.319SS*.THydrogen-bonded Turntrans-76.6-15.4177.265.9174.9-177175.30115.3H315H315-K317 HydrophobicContact CB-CG 4.01Å; H315-K317 PolarHBondContact O-N 2.87Å; H315-K317 VanDerWaalsContact O-N 3.12Å
318C88.4Confident83.2Confident8 Ų861.1 Ų61.15%0.05432%0.32CS..THydrogen-bonded Turntrans-98-16-176.1-73.40000112.7N292 V314 H315 T320 S321 I322N292-C318 HydrophobicContact CB-CB 3.71Å; V314-C318 HydrophobicContact CB-CB 4.18Å; H315-C318 HydrophobicContact CB-CB 4.2Å; H315-C318 WeakPolarHBondContact O-CB 3.47Å; H315-C318 PolarHBondContact O-N 3.11Å; C318-T320 PolarHBondContact O-N 3.27Å; C318-S321 PolarHBondContact O-N 2.9Å; C318-I322 PolarHBondContact O-N 2.86Å
319A84.8Confident82.3Confident20 Ų2062.3 Ų62.317%0.16533%0.327CS..G310 helixtrans-60.5-30.4-177.900000114F279 L305 V314 H315 S321F279-A319 HydrophobicContact CD2-CB 3.58Å; F279-A319 HydrophobicContact CE2-CB 3.85Å; F279-A319 HydrophobicContact CG-CB 4.05Å; L305-A319 HydrophobicContact CD1-CB 3.72Å; V314-A319 HydrophobicContact CG2-CB 3.88Å; H315-A319 PolarHBondContact O-N 3.13Å; A319-S321 VanDerWaalsContact C-N 3.29Å
320T80Confident80.8Confident131 Ų13168.7 Ų68.780%0.80436%0.355SS*.G310 helixtrans-76.6-12.8175.948.70000113.9C318C318-T320 PolarHBondContact O-N 3.27Å
321S82.9Confident78.5Confident74 Ų7475.4 Ų75.452%0.51738%0.381SS..G310 helixtrans-99.2-6.2178.2-59.70000112.8N292 C318 A319N292-S321 VanDerWaalsContact OD1-C 3.31Å; N292-S321 WeakPolarHBondContact OD1-CB 3.5Å; N292-S321 PolarHBondContact OD1-O 3.45Å; C318-S321 PolarHBondContact O-N 2.9Å; A319-S321 VanDerWaalsContact C-N 3.29Å
322I85.7Confident75.9Confident23 Ų2374.9 Ų74.912%0.11839%0.389CS..SBendtrans-76.2127.4174.4-67.3-61.3000109.4H277 F279 N292 L312 V314 C318H277-I322 WeakPolarHBondContact CD2-CG2 3.36Å; F279-I322 HydrophobicContact CE2-CB 4.28Å; F279-I322 HydrophobicContact CE2-CG1 4.43Å; F279-I322 HydrophobicContact CE2-CG2 4.45Å; F279-I322 HydrophobicContact CZ-CB 4.19Å; F279-I322 HydrophobicContact CZ-CG1 4.01Å; F279-I322 HydrophobicContact CZ-CG2 4.16Å; N292-I322 HydrophobicContact CB-CD1 3.8Å; L312-I322 HydrophobicContact CD2-CD1 4.34Å; L312-I322 HydrophobicContact CD2-CG1 4.42Å; L312-I322 HydrophobicContact CD2-CG2 3.87Å; V314-I322 HydrophobicContact CG1-CD1 3.8Å; V314-I322 HydrophobicContact CG1-CG1 3.72Å; C318-I322 PolarHBondContact O-N 2.86Å
323P80.9Confident73.1Confident81 Ų8182.6 Ų82.653%0.52643%0.425SS..  trans-58.5156.2175.5-2534.7000113.5H277 N325H277-P323 PolarHBondContact CD2-O 2.96Å; H277-P323 VanDerWaalsContact CD2-O 3.23Å; H277-P323 PolarHBondContact NE2-O 2.9Å; P323-N325 PolarHBondContact O-N 3.21Å; P323-N325 PolarHBondContact O-OD1 3.13Å; P323-N325 VanDerWaalsContact O-OD1 3.06Å
324N81.6Confident70.1Confident66 Ų6688 Ų8835%0.35345%0.452SS..SBendtrans-76.767.1174.4-67.3-38.5000111.4E274 V275 P276E274-N324 CarbonylContact C-O 3.59Å; E274-N324 WeakPolarHBondContact CA-O 3.35Å; E274-N324 HydrophobicContact CB-CB 3.75Å; E274-N324 HydrophobicContact CG-CB 4.17Å; E274-N324 PolarHBondContact OE2-ND2 2.95Å; E274-N324 VanDerWaalsContact OE2-ND2 3.14Å; V275-N324 PolarHBondContact N-O 2.98Å; V275-N324 CarbonylContact O-C 3.48Å; V275-N324 WeakPolarHBondContact O-CA 3.44Å; P276-N324 WeakPolarHBondContact CA-OD1 3.41Å; P276-N324 WeakPolarHBondContact CB-OD1 3.3Å
325N82.6Confident67.1Low84 Ų8495.1 Ų95.145%0.44949%0.489SS..BIsolated β-bridgetrans-131.846.2-178.766.1-8.7000112.6Y141 V275 H277 P323 D327Y141-N325 VanDerWaalsContact OH-C 3.23Å; V275-N325 PolarHBondContact O-N 2.83Å; V275-N325 VanDerWaalsContact O-N 3.16Å; H277-N325 PolarHBondContact NE2-OD1 3.44Å; H277-N325 VanDerWaalsContact NE2-OD1 3.11Å; P323-N325 PolarHBondContact O-N 3.21Å; P323-N325 PolarHBondContact O-OD1 3.13Å; P323-N325 VanDerWaalsContact O-OD1 3.06Å; N325-D327 PolarHBondContact O-N 3.37Å; N325-D327 VanDerWaalsContact O-N 3.15Å
326C82.2Confident64.1Low0 Ų0100.3 Ų100.30%052%0.518CS..  trans-78.795.4-175.2-171.20000113.6K137 Y141 V275 P276 H277 C307 C310 G328K137-C326 HydrophobicContact CD-CB 4.4Å; K137-C326 PolarHBondContact NZ-SG 3.19Å; Y141-C326 WeakPolarHBondContact CE2-O 3.46Å; Y141-C326 VanDerWaalsContact OH-C 3.29Å; Y141-C326 PolarHBondContact OH-N 2.98Å; Y141-C326 PolarHBondContact OH-O 2.77Å; V275-C326 HydrophobicContact CG1-CB 4.28Å; V275-C326 WeakPolarHBondContact O-CB 3.23Å; V275-C326 PolarHBondContact O-N 3.28Å; P276-C326 VanDerWaalsContact O-CB 3.3Å; P276-C326 WeakPolarHBondContact O-CB 3.42Å; H277-C326 HydrophobicContact CB-CB 4.31Å; H277-C326 VanDerWaalsContact CE1-CA 3.49Å; H277-C326 WeakPolarHBondContact CE1-CA 3.28Å; H277-C326 PolarHBondContact ND1-SG 3.25Å; H277-C326 VanDerWaalsContact ND1-SG 3.4Å; C307-C326 PolarHBondContact SG-SG 3.46Å; C310-C326 VanDerWaalsContact SG-SG 3.68Å; C326-G328 PolarHBondContact O-N 3.24Å
327D74.2Confident61.6Low114 Ų11498.1 Ų98.161%0.6152%0.522SS*.  trans-53.2-13.6-179.2-61.1-42.5000116.5N325N325-D327 PolarHBondContact O-N 3.37Å; N325-D327 VanDerWaalsContact O-N 3.15Å
328G70.4Confident59Low3 Ų398 Ų983%0.03153%0.527CS..  trans82.6-170.4179.100000114.5D309 C310 C326 Q330D309-G328 CarbonylContact C-O 3.55Å; C310-G328 VanDerWaalsContact CA-O 3.25Å; C310-G328 WeakPolarHBondContact CA-O 3.4Å; C310-G328 WeakPolarHBondContact CB-O 3.29Å; C310-G328 PolarHBondContact N-O 2.94Å; C326-G328 PolarHBondContact O-N 3.24Å; G328-Q330 PolarHBondContact O-N 3.47Å
329E62.1Low56.1Low102 Ų102106.5 Ų106.548%0.47756%0.563SS.*  trans-75.8111.5171.1-74.5-169.5137.300110.5D309 K311 F331D309-E329 HydrophobicContact CB-CG 4.39Å; D309-E329 WeakPolarHBondContact O-CG 3.39Å; K311-E329 IonicContact NZ-OE1 3.09Å; K311-E329 PolarHBondContact NZ-OE1 3.02Å; E329-F331 PolarHBondContact O-N 3.15Å
330Q49.8Very low53.3Low167 Ų167113.4 Ų113.478%0.7860%0.597SS**  trans-78.1108.3160.8-63.8-177.26.600107.8G328 S332G328-Q330 PolarHBondContact O-N 3.47Å; Q330-S332 PolarHBondContact O-N 3.06Å
331F34.4Very low50.9Low177 Ų177113.2 Ų113.278%0.77660%0.596SS**  trans-66.3115.9166.7-80.2-92.9000108.3E329 Q333E329-F331 PolarHBondContact O-N 3.15Å; F331-Q333 PolarHBondContact O-N 2.96Å
332S31.1Very low48.2Very low86 Ų86117.7 Ų117.760%0.60161%0.609SS**  trans-62118.7172.740.60000109.3Q330 E334Q330-S332 PolarHBondContact O-N 3.06Å; S332-E334 PolarHBondContact O-N 3.48Å
333Q28.1Very low45.4Very low195 Ų195122.6 Ų122.691%0.91165%0.645SS**  trans-79.167.4166.8-73.5-173.6-4400109.8F331F331-Q333 PolarHBondContact O-N 2.96Å
334E26.7Very low42.6Very low154 Ų154128.7 Ų128.772%0.7266%0.658SS**  trans-83.3127.1152.6-66.4167.416900105.4S332S332-E334 PolarHBondContact O-N 3.48Å
335D28.4Very low39.9Very low148 Ų148132.5 Ų132.579%0.79168%0.678SS**  cis-131.4137.96.4-67.4-59.5000111.2
336N25.3Very low37.3Very low141 Ų141133.7 Ų133.775%0.75469%0.693SS**  trans-145125.8154.8-102.7-56000107.7I338N336-I338 PolarHBondContact O-N 2.97Å
337P31.2Very low34.6Very low127 Ų127139 Ų13983%0.82573%0.731SS**  trans-72.996.3-17528.9-33.7000110.1K339P337-K339 PolarHBondContact O-N 3.41Å
338I27.9Very low32.2Very low158 Ų158137.8 Ų137.881%0.8174%0.736SS**PPolyproline II helixtrans-72.3119.4178.1-65.6174.3000108.7N336 D340N336-I338 PolarHBondContact O-N 2.97Å; I338-D340 PolarHBondContact O-N 3.07Å
339K27.6Very low30.2Very low185 Ų185146.2 Ų146.280%0.80478%0.78SS**PPolyproline II helixtrans-62.3129175.6-70.3177.7174.31790111P337 T341P337-K339 PolarHBondContact O-N 3.41Å; K339-T341 PolarHBondContact O-N 3.4Å; K339-T341 PolarHBondContact O-OG1 3.27Å
340D25.9Very low28.4Very low165 Ų165146.6 Ų146.688%0.88279%0.794SS**PPolyproline II helixtrans-53119.1172.3-73.5-58.8000112I338I338-D340 PolarHBondContact O-N 3.07Å
341T29.5Very low27.3Very low128 Ų128146.8 Ų146.879%0.78580%0.798SS**  trans-136.876167.214.70000111.2K339K339-T341 PolarHBondContact O-N 3.4Å; K339-T341 PolarHBondContact O-OG1 3.27Å
342Q25.7Very low26.8Very low167 Ų167143.7 Ų143.778%0.7879%0.794SS**  trans45.880.5145.5-57-174.21100117.6R344Q342-R344 PolarHBondContact O-N 3.05Å
343S26.8Very low26.4Very low127 Ų127144.9 Ų144.989%0.88880%0.798SS**  trans-75.3106.6158.257.80000110.6
344R24Very low26.3Very low208 Ų208142.2 Ų142.279%0.78579%0.789SS**  trans-91.9135.8172.2-90.9-178.7170.6177.4-2.6112.2Q342Q342-R344 PolarHBondContact O-N 3.05Å
345N24.7Very low26.2Very low146 Ų146142.8 Ų142.878%0.78180%0.796SS**  trans65.4102.5146.9-56.1-1000120.2
346S28Very low26Very low110 Ų110138.7 Ų138.777%0.76979%0.788SS**  174.788.9115.260.50000109.4
347S24.4Very low26.2Very low112 Ų112138.4 Ų138.478%0.78379%0.791SS**  80.8119.981.367.80000115.5
348A24.8Very low26Very low88 Ų88140.3 Ų140.373%0.72779%0.79SS**  trans71.1102.2157.700000119.8
349L28.6Very low25.9Very low180 Ų180140.2 Ų140.294%0.94279%0.791SS**  -159.4105103.2-103.1161000109.3
350S23.1Very low26.9Very low110 Ų110136.4 Ų136.477%0.76979%0.785SS**  trans-89.6133.3-172.2-53.70000111.7
351I27.3Very low27.3Very low170 Ų170135 Ų13587%0.87278%0.782SS**  trans-110.8100.7158.1-64.5-179.1000108.5T353I351-T353 PolarHBondContact O-N 2.91Å
352T24Very low27Very low112 Ų112134.4 Ų134.469%0.68778%0.779SS**  trans-5.7106.9156-44.90000117.6
353T23.3Very low27Very low111 Ų111133.3 Ų133.368%0.68178%0.777SS**  56.5123.5117.3-29.30000120.2I351I351-T353 PolarHBondContact O-N 2.91Å
354L24.2Very low26.9Very low140 Ų140131.8 Ų131.873%0.73377%0.766SS**  168.8129.3106.4-89.3169.1000113.8
355L25Very low26.8Very low166 Ų166126.6 Ų126.687%0.86976%0.761SS**  trans63.1136.2148.8-52.1166.6000118.5
356G25Very low26.8Very low61 Ų61126 Ų12663%0.62976%0.764SS**  cis172.6-172.4-0.100000110.8
357V29.4Very low26.6Very low135 Ų135125.6 Ų125.682%0.81876%0.76SS**  trans73.192.7178-166.30000113.5
358Q27.1Very low26.5Very low168 Ų168125.5 Ų125.579%0.78576%0.76SS**  81.192.473.5-74.4-178.4-34.600115.7
359D26.4Very low26.6Very low156 Ų156126.3 Ų126.383%0.83476%0.76SS**  71.6157.9116.4-81.5-1.5000123.1
360P47.8Very low26.4Very low105 Ų105123.6 Ų123.668%0.68276%0.756SS**  trans-120.3169.8-139.143.1-34.8000115.6
361T33.2Very low26.7Very low134 Ų134121.6 Ų121.682%0.82275%0.753SS**  trans-152.3113.1145.528.90000109.7
362T24.5Very low26.8Very low116 Ų116119.9 Ų119.971%0.71275%0.753SS**  71.614089.36.30000118.5
363I25.8Very low27Very low145 Ų145119.5 Ų119.574%0.74475%0.754SS**  trans88.297.7147.4-71.5161.2000119.3
364S24.3Very low27.2Very low95 Ų95123.7 Ų123.766%0.66476%0.763SS**  72.9108.1118-50.40000122.1
365S22Very low27.3Very low98 Ų98126 Ų12669%0.68577%0.768SS**  24.3124.8123.761.50000120.2
366T25.7Very low27.2Very low135 Ų135129.5 Ų129.583%0.82877%0.769SS**  -169130.6112.6170000114.4
367S22.3Very low27.3Very low100 Ų100135.2 Ų135.270%0.69978%0.777SS**  trans15.4130.8146.256.10000123.3
368S23.5Very low27Very low111 Ų111139 Ų13978%0.77678%0.777SS**  102.8151124.278.20000122.2
369S25.5Very low26.9Very low105 Ų105137.8 Ų137.873%0.73478%0.775SS**  trans82.390.2165.372.60000120.4
370S24.3Very low26.8Very low123 Ų123139.4 Ų139.486%0.8678%0.775SS**  27.4116.3125.557.80000121
371G30.1Very low25.8Very low67 Ų67140.9 Ų140.969%0.69178%0.776SS**  trans178.6116.8157.600000112.7S373G371-S373 PolarHBondContact O-N 3.07Å
372P30Very low25.4Very low135 Ų135145.4 Ų145.488%0.87778%0.778SS**  trans-78.5106-17330.2-33.7000112K374P372-K374 PolarHBondContact O-N 3.12Å
373S27.3Very low25.4Very low103 Ų103143.4 Ų143.472%0.7278%0.781SS**  trans-75.1109.1178.651.10000111.7G371 F375G371-S373 PolarHBondContact O-N 3.07Å; S373-F375 PolarHBondContact O-N 3.32Å; S373-F375 VanDerWaalsContact O-N 3.1Å
374K27.6Very low25.5Very low200 Ų200145.8 Ų145.887%0.8779%0.789SS**  trans-58.2112.1175.1-67174.7178.9174.90110.3P372 R376P372-K374 PolarHBondContact O-N 3.12Å; K374-R376 PolarHBondContact O-N 2.71Å
375F26.5Very low25.5Very low189 Ų189148 Ų14883%0.82980%0.798SS**  trans-68.687.9179.3-117.5-90.2000111.6S373 K377S373-F375 PolarHBondContact O-N 3.32Å; S373-F375 VanDerWaalsContact O-N 3.1Å; F375-K377 VanDerWaalsContact C-N 3.31Å; F375-K377 PolarHBondContact O-N 3.42Å
376R23.8Very low25.7Very low238 Ų238150.3 Ų150.390%0.89881%0.808SS**  trans-77.374.6-177.8-161.8177.4-169.6177.32.8110.8K374 R378K374-R376 PolarHBondContact O-N 2.71Å; R376-R378 PolarHBondContact O-N 2.92Å
377K26.1Very low25.7Very low182 Ų182148.9 Ų148.979%0.79180%0.804SS**  trans-58110.4172.3-79.5-179.2176.4173.70109.7F375 L379F375-K377 VanDerWaalsContact C-N 3.31Å; F375-K377 PolarHBondContact O-N 3.42Å; K377-L379 PolarHBondContact O-N 3.3Å
378R24Very low25.7Very low215 Ų215148.6 Ų148.681%0.81181%0.807SS**  trans-67.1110.4171.4-75.5-177.1176-177.2-1.2109.2R376 F380R376-R378 PolarHBondContact O-N 2.92Å; R378-F380 PolarHBondContact O-N 3.46Å
379L23.5Very low25.9Very low141 Ų141151.2 Ų151.274%0.73881%0.811SS**  trans-65.9122160.1-92.678.4000108.5K377 L381K377-L379 PolarHBondContact O-N 3.3Å; L379-L381 HydrophobicContact CB-CD1 4.47Å; L379-L381 HydrophobicContact CD2-CD1 4.03Å; L379-L381 PolarHBondContact O-N 3.19Å
380F24.6Very low25.9Very low191 Ų191153.4 Ų153.484%0.83881%0.814SS**  trans-87.597.4163.2-84.8-89000108.8R378R378-F380 PolarHBondContact O-N 3.46Å
381L26.7Very low26.1Very low135 Ų135153.2 Ų153.271%0.70781%0.813SS**  trans-93.3109.6175.4-96.8152.7000110.7L379L379-L381 HydrophobicContact CB-CD1 4.47Å; L379-L381 HydrophobicContact CD2-CD1 4.03Å; L379-L381 PolarHBondContact O-N 3.19Å
382R25.9Very low25.8Very low229 Ų229157.5 Ų157.586%0.86482%0.815SS**  trans61106.5130.9-158.2175-165.21511.4119.1
383G24.3Very low25.4Very low75 Ų75157 Ų15777%0.77381%0.809SS**  84.7112.2127.900000118.5
384Q28Very low25.2Very low194 Ų194157.1 Ų157.191%0.90781%0.806SS**  trans-123.8122.5147.5-78.6-171.5-28.700109.2
385T24.6Very low25Very low142 Ų142153.7 Ų153.787%0.87180%0.798SS**  trans-78.8129.6169.5420000109.6
386V26.3Very low24.9Very low147 Ų147151.9 Ų151.989%0.89179%0.792SS**  trans-113.1113161.2-178.40000107.5
387S24.4Very low25Very low105 Ų105147.8 Ų147.873%0.73478%0.783SS**  trans-83.5142.217950.10000111.6
388A23.8Very low25.1Very low93 Ų93147.5 Ų147.577%0.76978%0.784SS**  trans48.1122.8151.200000119.7
389I27.7Very low25.2Very low166 Ų166146 Ų14685%0.85179%0.787SS**  trans-151.4137.8131.9-99144.3000107.7
390N24.9Very low25.5Very low151 Ų151144.9 Ų144.981%0.80779%0.788SS**  trans-66.9136.6172.2-86.6-25.1000110.8
391S27.7Very low25.6Very low120 Ų120144.6 Ų144.684%0.83979%0.789SS**  trans-134.279.7156.145.90000109.9
392Q24Very low25.5Very low156 Ų156144.5 Ų144.573%0.72979%0.794SS**  trans-74.9151.5160.6-80.5-174.3-21.900109.7
393T22.4Very low25.6Very low124 Ų124140 Ų14076%0.76179%0.794SS**  trans63.5143.5157.254.70000116.6
394T23Very low25.6Very low107 Ų107141.5 Ų141.566%0.65679%0.793SS**  cis-169.7157.3-0.313.70000107.9
395N23.6Very low25.6Very low128 Ų128139.1 Ų139.168%0.68479%0.792SS**  trans66.3150.3152.5-65.621.2000116.9
396E23.5Very low25.8Very low150 Ų150139.1 Ų139.170%0.70179%0.786SS**  cis-163.3-176.3-7.8-119.6170143.800109.6
397Q26.2Very low25.7Very low153 Ų153141.2 Ų141.272%0.71579%0.786SS**  trans83.299.2157.5-73.2160.128.600120.6
398Q27.7Very low25.8Very low175 Ų175145.6 Ų145.682%0.81879%0.792SS**  96.3107.1120.4-72.1168.20.100120.3
399Q26.7Very low26.6Very low185 Ų185146.3 Ų146.386%0.86479%0.789SS**  trans-67.7161151.2-56.5169.8-56.100109.9
400P29.2Very low26.4Very low117 Ų117146.6 Ų146.676%0.7679%0.792SS**  -144.6170.189.737.4-21.6000112.8
401E27Very low26.6Very low184 Ų184150.6 Ų150.686%0.8680%0.796SS**  cis-158.3158.1-18.3-111.5175-17700107.7
402T24.7Very low26.3Very low133 Ų133154.9 Ų154.982%0.81680%0.8SS**  trans-122.3134.8179.350.70000111.6
403P27.1Very low26.4Very low134 Ų134155.5 Ų155.587%0.8781%0.807SS**  trans-82.4144.5166.417.7-6.1000112.3
404S25Very low26.6Very low107 Ų107158.2 Ų158.275%0.74881%0.811SS**  trans-84.5150.5-169.151.40000115.6
405V27.9Very low26.8Very low145 Ų145157.9 Ų157.988%0.87982%0.819SS**  trans-136.6133.2150.4179.80000109
406D28.4Very low26.9Very low142 Ų142158.3 Ų158.376%0.75983%0.826SS**  trans-65143.3-165.1-73.1-80.6000116.9
407Q24.5Very low27Very low191 Ų191160.5 Ų160.589%0.89384%0.837SS**  trans-126.5128.2154.4-68-174.66.500109.2
408K27.1Very low26.9Very low196 Ų196164.8 Ų164.885%0.85285%0.846SS**  trans-133.2154.9168.2-90-170.9176.8170.70111.6
409P39.5Very low26.8Very low108 Ų108165.5 Ų165.570%0.70185%0.849SS**  trans-119145.6-139.438.2-26.9000114.5
410N24.8Very low26.8Very low172 Ų172163 Ų16392%0.9285%0.846SS**  trans-86.9112.7167.6-78.4-18.9000110.4
411R28.4Very low26.6Very low236 Ų236163.5 Ų163.589%0.89185%0.848SS**  trans-71.9149.1173-87.4178.8165174.3-5.3111.5
412F21.3Very low26.6Very low210 Ų210161.3 Ų161.392%0.92185%0.847SS**  trans-61.8145.5169.6-77.1-107.7000111.5
413L26Very low26.7Very low168 Ų168163.4 Ų163.488%0.8885%0.847SS**  trans-124.7143.2169.7-109.6163.6000109.6
414H26.8Very low26.6Very low181 Ų181164.5 Ų164.584%0.83885%0.846SS**  trans-69.2136.6-165.9-78-113000113.4
415A27Very low26.7Very low100 Ų100167.6 Ų167.683%0.82685%0.853SS**  trans-83.8111.7167.600000110.2
416T26.8Very low26.6Very low137 Ų137166.7 Ų166.784%0.8485%0.852SS**  trans-79.1120.7170.625.60000110.5R418T416-R418 PolarHBondContact O-N 3.34Å
417Q24.5Very low26.4Very low196 Ų196165.3 Ų165.392%0.91685%0.853SS**  trans-66.6128.7172.3-70.5170-41.800110.1
418R24.7Very low26.5Very low243 Ų243162.1 Ų162.192%0.91785%0.849SS**  trans-106.3127.7162.5-93.2-174.7170.6177.1-2.5109.6T416T416-R418 PolarHBondContact O-N 3.34Å
419Q24.8Very low26.5Very low190 Ų190158.2 Ų158.289%0.88885%0.846SS**  trans-68.1140.7178-64.7155.9-48.200110.1
420V27Very low25.9Very low132 Ų132161.8 Ų161.880%0.885%0.851SS**  trans-123.7114.4160.5177.90000106.8
421T25.4Very low26Very low128 Ų128161.1 Ų161.179%0.78585%0.847SS**  trans-72.9134.6177.342.80000110.5
422V28.1Very low26Very low138 Ų138157.5 Ų157.584%0.83684%0.84SS**  trans-121.4124.2166179.80000107.5
423E25.4Very low26Very low178 Ų178156.3 Ų156.383%0.83284%0.843SS**  trans-82.1129.3-172.6-66.6177.312800112.3
424N26.7Very low26.1Very low157 Ų157155.3 Ų155.384%0.8484%0.837SS**  trans8113.6150.2-60.2-29.7000118.7
425L26.8Very low25.9Very low171 Ų171155.3 Ų155.390%0.89584%0.837SS**  trans-150.3112.2145.5-109.1162.2000111
426C24.7Very low25.8Very low127 Ų127156.4 Ų156.486%0.85883%0.833SS**  trans42126.8168.9-910000122.2
427S24.7Very low25.7Very low113 Ų113158 Ų15879%0.7983%0.831SS**PPolyproline II helixtrans-84.1129.8-176.950.80000115.2
428P26.9Very low25.8Very low123 Ų123154.5 Ų154.580%0.79983%0.825SS**PPolyproline II helixtrans-81.7138.5152.532.7-29.5000110.3
429S27Very low26Very low114 Ų114151.2 Ų151.280%0.79782%0.82SS**PPolyproline II helixtrans-64.1139.8-178.748.40000113N431S429-N431 PolarHBondContact O-N 3.2Å
430K26.7Very low26Very low183 Ų183147.5 Ų147.580%0.79682%0.815SS**PPolyproline II helixtrans-56.4122.9174.8-63.4176.7176.5-175.90111.3
431N26.3Very low26Very low159 Ų159147.7 Ų147.785%0.8582%0.816SS**  trans-116.8111.9150.3-89.8-13.1000107S429S429-N431 PolarHBondContact O-N 3.2Å
432E28.6Very low26Very low159 Ų159149.5 Ų149.574%0.74382%0.818SS**  trans-71.2137.8176.9-71.6174154.900109.9I434E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 3.45Å
433L22Very low25.9Very low185 Ų185148.5 Ų148.597%0.96981%0.814SS**  trans-71.187.6176.3-78.3156.3000109.4E435L433-E435 PolarHBondContact O-N 3.36Å
434I27.3Very low26Very low148 Ų148147.4 Ų147.476%0.75981%0.812SS**  trans-74.2118.4164.6-62.7178.4000107.7E432 V436E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 3.45Å; I434-V436 PolarHBondContact O-N 3.38Å
435E22.4Very low26.1Very low181 Ų181145.9 Ų145.985%0.84681%0.811SS**  trans-62112.6178.1-171.2173.2-175.400110.2L433 Q437L433-E435 PolarHBondContact O-N 3.36Å; E435-Q437 PolarHBondContact O-N 2.81Å
436V25.1Very low26.1Very low122 Ų122144.5 Ų144.574%0.73981%0.81SS**  trans-73.197.1-176.1179.70000109.5I434I434-V436 PolarHBondContact O-N 3.38Å
437Q23.7Very low26.2Very low172 Ų172143.6 Ų143.680%0.80481%0.805SS**PPolyproline II helixtrans-62.9137.7166.6-75-168.2-11.700110.3E435E435-Q437 PolarHBondContact O-N 2.81Å
438P27.5Very low26.4Very low121 Ų121147.6 Ų147.679%0.78681%0.808SS**PPolyproline II helixtrans-69.5138.6-171.227.6-34.9000112.1S440P438-S440 PolarHBondContact O-N 3.36Å
439H28.5Very low26.2Very low175 Ų175150.4 Ų150.481%0.8182%0.815SS**PPolyproline II helixtrans-56.5129.2-174.8-75-82.1000113.6V441H439-V441 PolarHBondContact O-N 3.35Å; H439-V441 VanDerWaalsContact O-N 3.16Å
440S25.9Very low26.3Very low112 Ų112152.9 Ų152.978%0.78382%0.819SS**  trans-66.3105.5172.144.50000111.5P438 M442P438-S440 PolarHBondContact O-N 3.36Å; S440-M442 PolarHBondContact O-N 3.22Å
441V26.7Very low26.1Very low135 Ų135149 Ų14982%0.81882%0.815SS**  trans-70.7115.1166.7178.40000108.5H439H439-V441 PolarHBondContact O-N 3.35Å; H439-V441 VanDerWaalsContact O-N 3.16Å
442M24.5Very low26.1Very low167 Ų167146.7 Ų146.782%0.82381%0.811SS**PPolyproline II helixtrans-60.7130.9176.6-83.2-73.7-166.600111.1S440S440-M442 PolarHBondContact O-N 3.22Å
443P27.2Very low26Very low116 Ų116143.8 Ų143.875%0.75381%0.808SS**PPolyproline II helixtrans-80.9134.6-172.931.1-34.6000113
444I26.1Very low26.1Very low155 Ų155142.4 Ų142.480%0.79580%0.802SS**PPolyproline II helixtrans-77.8135.1171.7-64172.5000108.8T446I444-T446 PolarHBondContact O-N 3.35Å
445P29.7Very low26.1Very low125 Ų125140.9 Ų140.981%0.81280%0.804SS**  trans-79.6107-164.930.1-35.9000113.7S447P445-S447 PolarHBondContact O-N 3.25Å
446T27.4Very low26.2Very low142 Ų142137.1 Ų137.187%0.87180%0.798SS**  trans-86.1101.2168.748.60000111.3I444I444-T446 PolarHBondContact O-N 3.35Å
447S27Very low26.2Very low108 Ų108137.8 Ų137.876%0.75580%0.802SS**  trans-77.4132.4176.959.60000113.2P445P445-S447 PolarHBondContact O-N 3.25Å
448K27Very low26.4Very low198 Ų198136 Ų13686%0.86180%0.798SS**  trans61.876.9157.3-59-178.1179.8179.10117.1
449L24.4Very low26.4Very low181 Ų181138.2 Ų138.295%0.94880%0.804SS**PPolyproline II helixtrans-87.1117.1146.9-91.3160.5000109
450L27.6Very low26.4Very low166 Ų166138.2 Ų138.287%0.86980%0.801SS**PPolyproline II helixtrans-79.1149.1171-88.9159.2000110.5
451S22.9Very low26.6Very low102 Ų102140.1 Ų140.171%0.71380%0.802SS**PPolyproline II helixtrans-81.8172.3-164.2500000115.6
452S26.7Very low26.7Very low110 Ų110140.9 Ų140.977%0.76980%0.8SS**  trans82.9142.916380.40000117.4
453S26Very low27.2Very low99 Ų99140.1 Ų140.169%0.69279%0.794SS**  cis-171142.2-28.343.30000109.6
454N23.6Very low27.9Very low156 Ų156139.4 Ų139.483%0.83479%0.792SS**  trans29.8117.8153-57.7-11.9000119.9
455S27.8Very low28.9Very low116 Ų116136.5 Ų136.581%0.81178%0.781SS**  -177.1150.8109.538.30000114.4
456S25Very low29.6Very low102 Ų102134.7 Ų134.771%0.71377%0.765SS**  trans-8.5125.1168.551.80000120.8
457T24.6Very low30.7Very low135 Ų135132.6 Ų132.683%0.82875%0.752SS**  trans-3.4125135.352.60000118
458D29.3Very low32Very low134 Ų134135.5 Ų135.572%0.71775%0.751SS**  trans-149.4125.1141.3-1455.9000111K460D458-K460 PolarHBondContact O-N 3.22Å
459N25.6Very low33.6Very low168 Ų168130.8 Ų130.890%0.89873%0.734SS**  trans-82103.6-175.8-84.2-43.3000110.6
460K29.9Very low34.9Very low176 Ų176126.9 Ų126.977%0.76571%0.713SS**  trans-128.9132.9169.4-76.7180-178.7159.40113.2D458D458-K460 PolarHBondContact O-N 3.22Å
461L28.7Very low36.3Very low151 Ų151124.1 Ų124.179%0.79170%0.696SS**  trans-23.5126.6-178.1-92.159.9000116.7H463L461-H463 PolarHBondContact O-N 3.27Å; L461-H463 VanDerWaalsContact O-N 3.07Å
462I30Very low38.4Very low151 Ų151122 Ų12277%0.77468%0.68SS**  trans-63105.3168.9-61170.1000109.4D466I462-D466 WeakPolarHBondContact CG2-OD2 3.02Å
463H34.2Very low40Very low152 Ų152119.7 Ų119.770%0.70466%0.662SS**  trans-92.1110.6179-111.7-87.1000111.8L461 T465L461-H463 PolarHBondContact O-N 3.27Å; L461-H463 VanDerWaalsContact O-N 3.07Å; H463-T465 PolarHBondContact O-N 3.39Å; H463-T465 PolarHBondContact O-OG1 3.42Å
464S43.5Very low41.7Very low101 Ų101118.3 Ų118.371%0.70665%0.646SS**SBendtrans56.9-13.2145.5-157.50000121.1
465T45.5Very low43.8Very low94 Ų94114.8 Ų114.858%0.57762%0.624SS**  trans-89.4-30.8-164.2-410000112.9H463 V467 K468H463-T465 PolarHBondContact O-N 3.39Å; H463-T465 PolarHBondContact O-OG1 3.42Å; T465-V467 VanDerWaalsContact C-N 3.26Å; T465-V467 PolarHBondContact O-N 3.14Å; T465-K468 PolarHBondContact O-N 2.99Å
466D46Very low45.6Very low86 Ų86116.7 Ų116.746%0.4662%0.618SS.*Hα-helixtrans-63.1-29.2-178.3-61.9-44.9000113.5I462 K468 I469 I470I462-D466 WeakPolarHBondContact CG2-OD2 3.02Å; D466-K468 VanDerWaalsContact C-N 3.26Å; D466-K468 PolarHBondContact O-N 2.96Å; D466-I469 PolarHBondContact O-N 3.23Å; D466-I469 VanDerWaalsContact O-N 3.14Å; D466-I470 WeakPolarHBondContact O-CG1 3.4Å; D466-I470 PolarHBondContact O-N 3.32Å
467V49.4Very low46.7Very low99 Ų99121 Ų12160%0.662%0.619SS**Hα-helixtrans-59.5-37.9177.9-177.90000111T465 Q471T465-V467 VanDerWaalsContact C-N 3.26Å; T465-V467 PolarHBondContact O-N 3.14Å; V467-Q471 VanDerWaalsContact O-CB 3.31Å; V467-Q471 WeakPolarHBondContact O-CB 3.19Å; V467-Q471 PolarHBondContact O-N 3.06Å
468K53.9Low48Very low169 Ų169119 Ų11974%0.73560%0.599SS**Hα-helixtrans-70.9-37177.5-73.1-173.4177.31800112.3T465 D466 S472T465-K468 PolarHBondContact O-N 2.99Å; D466-K468 VanDerWaalsContact C-N 3.26Å; D466-K468 PolarHBondContact O-N 2.96Å; K468-S472 WeakPolarHBondContact O-CB 3.36Å; K468-S472 PolarHBondContact O-N 3.47Å
469I60.4Low49.3Very low99 Ų99115.5 Ų115.551%0.50859%0.588SS.*Hα-helixtrans-67.3-45.8178-60.9177.4000110.1D466 S472 T473D466-I469 PolarHBondContact O-N 3.23Å; D466-I469 VanDerWaalsContact O-N 3.14Å; I469-S472 PolarHBondContact O-N 2.77Å; I469-S472 PolarHBondContact O-OG 2.86Å; I469-T473 PolarHBondContact O-N 2.9Å; I469-T473 PolarHBondContact O-OG1 3.07Å
470I52.3Low50.5Low98 Ų98113.5 Ų113.550%0.50357%0.573SS.*Hα-helixtrans-60.5-48.4175.6-67.2166.3000110.3D466 S472 T473 I474D466-I470 WeakPolarHBondContact O-CG1 3.4Å; D466-I470 PolarHBondContact O-N 3.32Å; I470-S472 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 3.47Å; I470-T473 PolarHBondContact O-N 2.81Å; I470-T473 VanDerWaalsContact O-N 3.15Å; I470-I474 HydrophobicContact CG2-CD1 3.83Å; I470-I474 HydrophobicContact CG2-CG1 4.5Å; I470-I474 WeakPolarHBondContact O-CG1 3.28Å; I470-I474 PolarHBondContact O-N 2.95Å
471Q57.4Low51Low109 Ų109111.7 Ų111.751%0.50957%0.566SS.*Hα-helixtrans-59.8-42.3177.8-155.176.7-0.900112V467 T473 I474 E475V467-Q471 VanDerWaalsContact O-CB 3.31Å; V467-Q471 WeakPolarHBondContact O-CB 3.19Å; V467-Q471 PolarHBondContact O-N 3.06Å; Q471-T473 VanDerWaalsContact C-N 3.32Å; Q471-T473 PolarHBondContact O-N 2.94Å; Q471-I474 PolarHBondContact O-N 3.3Å; Q471-E475 PolarHBondContact O-N 3.27Å
472S65.8Low51.4Low56 Ų56113.2 Ų113.239%0.39256%0.561SS.*Hα-helixtrans-65.6-34.3177.481.40000112.8K468 I469 I470 K476K468-S472 WeakPolarHBondContact O-CB 3.36Å; K468-S472 PolarHBondContact O-N 3.47Å; I469-S472 PolarHBondContact O-N 2.77Å; I469-S472 PolarHBondContact O-OG 2.86Å; I470-S472 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 3.47Å; S472-K476 WeakPolarHBondContact O-CB 3.14Å; S472-K476 WeakPolarHBondContact O-CG 3.45Å; S472-K476 PolarHBondContact O-N 3.3Å
473T61.3Low52.1Low62 Ų62110.1 Ų110.138%0.3855%0.553SS.*Hα-helixtrans-71-39.6176.8-55.10000111I469 I470 Q471 R477I469-T473 PolarHBondContact O-N 2.9Å; I469-T473 PolarHBondContact O-OG1 3.07Å; I470-T473 PolarHBondContact O-N 2.81Å; I470-T473 VanDerWaalsContact O-N 3.15Å; Q471-T473 VanDerWaalsContact C-N 3.32Å; Q471-T473 PolarHBondContact O-N 2.94Å; T473-R477 WeakPolarHBondContact O-CB 3.4Å; T473-R477 WeakPolarHBondContact O-CG 3.27Å; T473-R477 PolarHBondContact O-N 2.97Å
474I62.2Low52.3Low70 Ų70112.6 Ų112.636%0.35956%0.556SS.*Hα-helixtrans-64.2-46.4174-68.8169.7000110.7I470 Q471 R477 K478I470-I474 HydrophobicContact CG2-CD1 3.83Å; I470-I474 HydrophobicContact CG2-CG1 4.5Å; I470-I474 WeakPolarHBondContact O-CG1 3.28Å; I470-I474 PolarHBondContact O-N 2.95Å; Q471-I474 PolarHBondContact O-N 3.3Å; I474-R477 PolarHBondContact O-N 3.27Å; I474-K478 HydrophobicContact CG2-CD 4.35Å; I474-K478 WeakPolarHBondContact O-CG 3.5Å; I474-K478 PolarHBondContact O-N 3.3Å
475E67.6Low51.7Low82 Ų82113.7 Ų113.738%0.38355%0.549SS..Hα-helixtrans-67.7-37.9178-70.2-53.5133.800112.5Q471 R477 K478 A479Q471-E475 PolarHBondContact O-N 3.27Å; E475-R477 PolarHBondContact O-N 3.5Å; E475-K478 PolarHBondContact O-N 2.93Å; E475-K478 WeakPolarHBondContact OE1-CD 3.42Å; E475-K478 IonicContact OE1-NZ 3.11Å; E475-K478 PolarHBondContact OE1-NZ 3.29Å; E475-A479 WeakPolarHBondContact O-CB 3.37Å; E475-A479 PolarHBondContact O-N 2.87Å
476K65.4Low51Low157 Ų157117.1 Ų117.168%0.68356%0.559SS**Hα-helixtrans-59.5-43.1170.3-80.2179.6176.5-179.90112S472 A479 H480S472-K476 WeakPolarHBondContact O-CB 3.14Å; S472-K476 WeakPolarHBondContact O-CG 3.45Å; S472-K476 PolarHBondContact O-N 3.3Å; K476-A479 PolarHBondContact O-N 2.91Å; K476-H480 WeakPolarHBondContact O-CB 3.26Å; K476-H480 PolarHBondContact O-N 2.86Å
477R47.3Very low50.3Low192 Ų192120.1 Ų120.173%0.72557%0.574SS**Hα-helixtrans-65-40.3175.2-77.1179.5173.5179.2-2.9112.2T473 I474 E475 H480 F481T473-R477 WeakPolarHBondContact O-CB 3.4Å; T473-R477 WeakPolarHBondContact O-CG 3.27Å; T473-R477 PolarHBondContact O-N 2.97Å; I474-R477 PolarHBondContact O-N 3.27Å; E475-R477 PolarHBondContact O-N 3.5Å; R477-H480 PolarHBondContact O-N 3.48Å; R477-F481 WeakPolarHBondContact O-CB 3.42Å; R477-F481 PolarHBondContact O-N 2.87Å
478K52.8Low49.3Very low94 Ų94123.6 Ų123.641%0.40958%0.58SS.*Hα-helixtrans-64.3-41.2173.6-72.1174.4-172167.90112.6I474 E475 F481 R482I474-K478 HydrophobicContact CG2-CD 4.35Å; I474-K478 WeakPolarHBondContact O-CG 3.5Å; I474-K478 PolarHBondContact O-N 3.3Å; E475-K478 PolarHBondContact O-N 2.93Å; E475-K478 WeakPolarHBondContact OE1-CD 3.42Å; E475-K478 IonicContact OE1-NZ 3.11Å; E475-K478 PolarHBondContact OE1-NZ 3.29Å; K478-F481 PolarHBondContact O-N 2.94Å; K478-R482 WeakPolarHBondContact O-CG 3.26Å; K478-R482 PolarHBondContact O-N 3.4Å
479A55.1Low47.9Very low60 Ų60124.4 Ų124.450%0.49659%0.587SS.*Hα-helixtrans-63.5-45176.600000111.3E475 K476 F481 R482 S483E475-A479 WeakPolarHBondContact O-CB 3.37Å; E475-A479 PolarHBondContact O-N 2.87Å; K476-A479 PolarHBondContact O-N 2.91Å; A479-F481 VanDerWaalsContact C-N 3.29Å; A479-F481 PolarHBondContact O-N 2.98Å; A479-R482 PolarHBondContact O-N 3.42Å; A479-S483 PolarHBondContact O-N 2.88Å; A479-S483 VanDerWaalsContact O-N 3.1Å
480H50.7Low46.4Very low125 Ų125126.7 Ų126.758%0.57960%0.599SS**Hα-helixtrans-66-28.7175.7-162.9-41.8000113K476 R477 S483K476-H480 WeakPolarHBondContact O-CB 3.26Å; K476-H480 PolarHBondContact O-N 2.86Å; R477-H480 PolarHBondContact O-N 3.48Å; H480-S483 PolarHBondContact O-OG 2.82Å; H480-S483 VanDerWaalsContact O-OG 3.12Å
481F41.2Very low44.9Very low138 Ų138128 Ų12861%0.60562%0.616SS**Hα-helixtrans-73.1-41.2172.6-167.8-95.2000111.9R477 K478 A479 S483 R484 H485R477-F481 WeakPolarHBondContact O-CB 3.42Å; R477-F481 PolarHBondContact O-N 2.87Å; K478-F481 PolarHBondContact O-N 2.94Å; A479-F481 VanDerWaalsContact C-N 3.29Å; A479-F481 PolarHBondContact O-N 2.98Å; F481-S483 PolarHBondContact O-N 3.3Å; F481-R484 PolarHBondContact O-N 2.98Å; F481-H485 AromaticContact CE1-CD2 3.82Å; F481-H485 AromaticContact CZ-CD2 3.71Å; F481-H485 AromaticContact CZ-NE2 3.83Å
482R38.3Very low43.6Very low184 Ų184131.1 Ų131.169%0.69463%0.63SS**Hα-helixtrans-65.2-36178.4-75.2176.5-179.9169.10.5113.3K478 A479 R484K478-R482 WeakPolarHBondContact O-CG 3.26Å; K478-R482 PolarHBondContact O-N 3.4Å; A479-R482 PolarHBondContact O-N 3.42Å; R482-R484 VanDerWaalsContact C-N 3.28Å; R482-R484 PolarHBondContact O-N 2.78Å
483S44.5Very low42.1Very low86 Ų86133.8 Ų133.860%0.60165%0.646SS**Hα-helixtrans-68.5-25.5177.559.90000113.5A479 H480 F481A479-S483 PolarHBondContact O-N 2.88Å; A479-S483 VanDerWaalsContact O-N 3.1Å; H480-S483 PolarHBondContact O-OG 2.82Å; H480-S483 VanDerWaalsContact O-OG 3.12Å; F481-S483 PolarHBondContact O-N 3.3Å
484R37.5Very low40.4Very low204 Ų204136.7 Ų136.777%0.7766%0.66SS**THydrogen-bonded Turntrans-84.7-6.6-176.3-138.9176-168.9167.12.7114.7F481 R482F481-R484 PolarHBondContact O-N 2.98Å; R482-R484 VanDerWaalsContact C-N 3.28Å; R482-R484 PolarHBondContact O-N 2.78Å
485H30.1Very low38.7Very low123 Ų123142.8 Ų142.857%0.56969%0.689SS**THydrogen-bonded Turntrans-122.913.3-177-79-52000115.1F481 I487F481-H485 AromaticContact CE1-CD2 3.82Å; F481-H485 AromaticContact CZ-CD2 3.71Å; F481-H485 AromaticContact CZ-NE2 3.83Å; H485-I487 PolarHBondContact O-N 2.92Å
486Q32.2Very low36.7Very low167 Ų167146.9 Ų146.978%0.7871%0.706SS**  trans-7878.9158.9-79-171.8-10.200109.7K488Q486-K488 VanDerWaalsContact C-N 3.35Å; Q486-K488 PolarHBondContact O-N 2.95Å
487I31.4Very low34.6Very low149 Ų149147.9 Ų147.976%0.76471%0.71SS**  trans-68.297.3164.3-61.2174.1000106.3H485H485-I487 PolarHBondContact O-N 2.92Å
488K28.4Very low33.5Very low171 Ų171144.6 Ų144.674%0.74371%0.707SS**  trans-74123.9166.3-90.9-175.4169-174.80108.3Q486 L490Q486-K488 VanDerWaalsContact C-N 3.35Å; Q486-K488 PolarHBondContact O-N 2.95Å; K488-L490 PolarHBondContact O-N 2.81Å
489E24.3Very low32.4Very low187 Ų187144.3 Ų144.387%0.87473%0.73SS**  trans-59.7119.8165.9-65.2168.8135.300108.9
490L28.3Very low30.9Very low146 Ų146148.5 Ų148.576%0.76474%0.744SS**  trans-128.186.7168.3-96.3139.4000106.6K488K488-L490 PolarHBondContact O-N 2.81Å
491C20.9Very low29.6Very low126 Ų126149.2 Ų149.285%0.85175%0.75SS**  trans-88.1115.2159.3-70.30000107.6
492E29.6Very low29Very low175 Ų175151.8 Ų151.882%0.81876%0.761SS**  trans-129.5133.6155.9-77.3-165.715200108.8
493P36.1Very low28.4Very low111 Ų111147.6 Ų147.672%0.72176%0.76SS**  trans-95.9175.1-177.338.5-35.9000113.3
494D25.2Very low27.4Very low124 Ų124147.9 Ų147.966%0.66377%0.768SS**  trans63.793.5160.5-69.6-38.8000118.9
495M27Very low27.1Very low198 Ų198146.2 Ų146.298%0.97577%0.774SS**  trans-121.9117.8131.1-71.8-151.485.700110.3
496K24.3Very low26.9Very low168 Ų168146.1 Ų146.173%0.7378%0.782SS**  trans-99.2151.9176.1-74.3177.8179.8168.90111.4
497F22.5Very low26.9Very low178 Ų178145.3 Ų145.378%0.78178%0.783SS**  trans84.5119.5142.2-101.4-131.8000121.5
498N23.6Very low27.8Very low123 Ų123143.2 Ų143.266%0.65878%0.78SS**  trans74.698.5134.9-67.29.8000121.3
499G29.8Very low27.8Very low87 Ų87144.3 Ų144.390%0.89779%0.787SS**  trans-119.3110.3141.200000109.6
500L23Very low27.8Very low148 Ų148140.2 Ų140.278%0.77578%0.779SS**  trans-98.7132.4-171.4-163.284.6000111.9
501I23.4Very low27.8Very low140 Ų140141.2 Ų141.272%0.71879%0.785SS**  trans28120.5148.9-54.8167.6000119.1
502K28.9Very low28Very low193 Ų193143.8 Ų143.884%0.83979%0.785SS**  trans-139.4110.8135.4-70.8-170.1177.6-176.70107.2
503S25.4Very low27.8Very low96 Ų96141.8 Ų141.867%0.67179%0.789SS**  49.39581.772.70000111.6
504A24Very low27.2Very low92 Ų92141.8 Ų141.876%0.7679%0.787SS**  94111.571.900000111.1
505D30.1Very low27.2Very low168 Ų168142.1 Ų142.190%0.89879%0.788SS**  trans-148.3108.6161.4-89.9-41000109.3
506T26.1Very low27.2Very low122 Ų122140.2 Ų140.275%0.74878%0.777SS**  trans-65162.3153.539.50000109.7
507D31.8Very low27.2Very low150 Ų150138.7 Ų138.780%0.80278%0.782SS**  cis-160.3-168.219.9-130.25.2000110.4
508P50.3Low27.3Very low105 Ų105136.3 Ų136.368%0.68278%0.782SS**  trans-102.9172.2-149.742.1-41000116.3
509Q29.7Very low27.6Very low193 Ų193136.3 Ų136.390%0.90279%0.789SS**  trans-135.2121.6146-73.3-164.8-1700112.3
510S24.5Very low27.4Very low102 Ų102140.8 Ų140.871%0.71379%0.791SS**  trans-74.3149.416950.50000112
511N27.7Very low27.4Very low166 Ų166142.3 Ų142.389%0.88880%0.795SS**  trans-148.692.4150.4-93-38.4000109
512E24Very low27.2Very low180 Ų180143.6 Ų143.684%0.84180%0.8SS**  trans-71.6141.5159.5-68.8-179126.300108.9
513C26.1Very low27.1Very low133 Ų133142.3 Ų142.390%0.89980%0.802SS**  trans-135107.4161.7-155.40000107.6
514V24.4Very low26.9Very low112 Ų112144.9 Ų144.968%0.67981%0.807SS**  trans-93.7171.9175.7175.30000108.2
515D24.1Very low27Very low130 Ų130148.6 Ų148.670%0.69581%0.809SS**  trans78144.4179.1-79.20.7000116.3
516Q28.3Very low26.8Very low158 Ų158149 Ų14974%0.73881%0.805SS**  cis-148144.611.8-129.1149.454.700111.6
517T23.2Very low26.6Very low136 Ų136151.7 Ų151.783%0.83481%0.814SS**  trans-86.3135.1170.9430000111.2
518T24.8Very low26.2Very low129 Ų129149.4 Ų149.479%0.79181%0.809SS**  trans-134.2122.6166.1440000110.9
519P30.6Very low24.9Very low123 Ų123149.8 Ų149.880%0.79981%0.81SS**  trans-87.8137.6-176.833.7-33.2000111.8
520L24.2Very low24.9Very low180 Ų180147.9 Ų147.994%0.94281%0.806SS**  trans-90.8109.2170-76.1168.5000109.9
521Q23.1Very low24.8Very low181 Ų181151.3 Ų151.385%0.84682%0.815SS**PPolyproline II helixtrans-79134.9-179.4-171.2165-4600110.6D523Q521-D523 PolarHBondContact O-N 2.76Å
522M20.9Very low24.5Very low167 Ų167155.3 Ų155.382%0.82382%0.818SS**PPolyproline II helixtrans-74120.9174.5-74.4165.446.100110.5
523D26.1Very low24.6Very low165 Ų165152.1 Ų152.188%0.88282%0.816SS**PPolyproline II helixtrans-80.9128.6161.3-90.1-38.4000110.5Q521Q521-D523 PolarHBondContact O-N 2.76Å
524L21.5Very low24.5Very low151 Ų151151.1 Ų151.179%0.79181%0.811SS**  trans-115.4102.6-178.7-177.589.5000108
525H24.7Very low24.5Very low170 Ų170154.1 Ų154.179%0.78782%0.821SS**  trans-140.1143.2171.4-118.1-98.6000113.6
526E26.4Very low24.5Very low175 Ų175156.2 Ų156.282%0.81883%0.827SS**  trans72.288.2163-74.2165.7-158.800119.4
527L22.3Very low24.2Very low180 Ų180160.9 Ų160.994%0.94284%0.837SS**  trans-112.891.7164.9-154.4157.9000108.2
528S22.7Very low24.3Very low101 Ų101159.6 Ų159.671%0.70683%0.831SS**  trans178.4138.2173.1-1710000105.6
529T24.5Very low24.3Very low114 Ų114160.2 Ų160.270%0.69983%0.829SS**  cis-157.3138.815.4-12.60000103.8
530D28.7Very low24Very low153 Ų153160.2 Ų160.282%0.81883%0.827SS**  -174.813286.9-94.9-32.3000109.8
531L23Very low24.2Very low173 Ų173161.2 Ų161.291%0.90682%0.823SS**  trans-13870.6178.1-16881.8000110.5
532R21.1Very low24.4Very low250 Ų250157.9 Ų157.994%0.94382%0.815SS**  trans-159.866.9177.6-118.8174.1-165-168.25116.3
533S26.4Very low24.6Very low114 Ų114156 Ų15680%0.79781%0.808SS**  trans-155.2100.5151.950.50000113.3
534S23.1Very low24.8Very low112 Ų112153.5 Ų153.578%0.78380%0.801SS**  48104.5124.5-53.30000121.1E536S534-E536 PolarHBondContact O-N 3.18Å
535I24.9Very low25.2Very low175 Ų175154.1 Ų154.190%0.89780%0.804SS**  trans30.379.4131.1-42.6176.8000116.9
536E24.2Very low25.4Very low174 Ų174153.9 Ų153.981%0.81381%0.808SS**  trans-158122.8133.4-111.8176.2-156.500104.2S534 P538S534-E536 PolarHBondContact O-N 3.18Å; E536-P538 WeakPolarHBondContact O-CD 3.37Å; E536-P538 VanDerWaalsContact O-N 3.16Å
537R21.8Very low25.4Very low256 Ų256150.1 Ų150.197%0.96680%0.8SS**  trans-74.6102-176-74.8179.1175.8166-1.7109.1
538P24.6Very low25.7Very low108 Ų108145.6 Ų145.670%0.70180%0.796SS**  trans-78.4146.31720.124.3000106.1E536 V540E536-P538 WeakPolarHBondContact O-CD 3.37Å; E536-P538 VanDerWaalsContact O-N 3.16Å; P538-V540 PolarHBondContact O-N 3.12Å
539L24.9Very low26.1Very low142 Ų142147.9 Ų147.974%0.74380%0.796SS**  trans-56.7112.4177-68.4165.7000108.9K541L539-K541 PolarHBondContact O-N 3.36Å
540V25.3Very low26.5Very low124 Ų124154 Ų15475%0.75281%0.806SS**  trans-57.2112.1174.3174.40000106.3P538 V542P538-V540 PolarHBondContact O-N 3.12Å; V540-V542 HydrophobicContact CG1-CG2 4.34Å; V540-V542 PolarHBondContact O-N 2.98Å
541K28.3Very low27.4Very low201 Ų201153.4 Ų153.487%0.87480%0.803SS**  trans-64.988.8169-76.4-177.3175.5178.70107L539 N543L539-K541 PolarHBondContact O-N 3.36Å; K541-N543 PolarHBondContact O-N 3.19Å
542V26.2Very low28.4Very low111 Ų111150.4 Ų150.467%0.67379%0.787SS**  trans-63.5101.7176-175.60000106.7V540 P544V540-V542 HydrophobicContact CG1-CG2 4.34Å; V540-V542 PolarHBondContact O-N 2.98Å; V542-P544 WeakPolarHBondContact O-CD 3.41Å; V542-P544 VanDerWaalsContact O-N 3.12Å
543N25Very low30Very low128 Ų128141.8 Ų141.868%0.68476%0.763SS**  trans-59.5114.5174.1-114.9-21.3000107.3K541 L545K541-N543 PolarHBondContact O-N 3.19Å; N543-L545 PolarHBondContact O-N 3.05Å
544P31.3Very low31.4Very low111 Ų111138.3 Ų138.372%0.72174%0.735SS**THydrogen-bonded Turntrans-68.73.7-164.9-23.335000115.9V542V542-P544 WeakPolarHBondContact O-CD 3.41Å; V542-P544 VanDerWaalsContact O-N 3.12Å
545L29.7Very low33Very low164 Ų164134.9 Ų134.986%0.85971%0.707SS**THydrogen-bonded Turntrans-98.5-1.3-172.6-64.3176.2000114.5N543N543-L545 PolarHBondContact O-N 3.05Å
546L29Very low34.3Very low165 Ų165134.7 Ų134.786%0.86470%0.695SS**SBendtrans-116.112.5-176.8-81.2164.6000115.6
547C26.3Very low35.9Very low97 Ų97128.5 Ų128.566%0.65567%0.669SS**SBendtrans-122.4107.1161.8-172.20000109.2Q549C547-Q549 PolarHBondContact O-N 3.49Å
548G28.5Very low37.4Very low84 Ų84116.9 Ų116.987%0.86663%0.627SS**  trans-70.724.2-168.500000117.1
549Q32.1Very low38.9Very low150 Ų150114.7 Ų114.770%0.70161%0.607SS**  trans-88.7115.2170.8-67-161.6-3.800110.1C547 N551C547-Q549 PolarHBondContact O-N 3.49Å; Q549-N551 PolarHBondContact O-N 2.64Å
550R33.2Very low40.2Very low241 Ų241111.2 Ų111.291%0.90960%0.595SS**  trans-70.477.4179.1-60178.6-172172.62.2110.3I552R550-I552 PolarHBondContact O-N 2.77Å
551N45.7Very low41.4Very low141 Ų141108.1 Ų108.175%0.75458%0.576SS**  trans-59.8111.3179.8-79.9-14.9000110.6Q549 P553Q549-N551 PolarHBondContact O-N 2.64Å; N551-P553 WeakPolarHBondContact O-CD 3.27Å
552I45.9Very low42.2Very low111 Ų111104.7 Ų104.757%0.56956%0.558SS**  trans-73.7122.3176.6-58.1175.3000107.2R550 L554 R556 V557R550-I552 PolarHBondContact O-N 2.77Å; I552-L554 PolarHBondContact O-N 2.69Å; I552-R556 HydrophobicContact CG2-CB 3.62Å; I552-V557 HydrophobicContact CB-CG2 4.26Å; I552-V557 HydrophobicContact CG2-CG2 3.84Å
553P53.3Low42.9Very low68 Ų68106.9 Ų106.944%0.44256%0.56SS.*  trans-54137.4178.8-27.535.1000111.3N551 M555 R556 V557N551-P553 WeakPolarHBondContact O-CD 3.27Å; P553-M555 PolarHBondContact O-N 3.37Å; P553-M555 VanDerWaalsContact O-N 3.07Å; P553-R556 WeakPolarHBondContact O-CA 3.41Å; P553-R556 WeakPolarHBondContact O-CB 3.32Å; P553-R556 PolarHBondContact O-N 3.29Å; P553-V557 PolarHBondContact O-N 2.9Å
554L56.3Low43.8Very low41 Ų41106.3 Ų106.322%0.21556%0.562CS.*Hα-helixtrans-53.7-37.1-175-177.361.1000112I552 R556 V557 V558 L617 I620I552-L554 PolarHBondContact O-N 2.69Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 3.35Å; L554-V557 PolarHBondContact O-N 2.99Å; L554-V558 HydrophobicContact CD1-CG2 4.35Å; L554-V558 HydrophobicContact CG-CG2 4.34Å; L554-V558 WeakPolarHBondContact O-CB 3.27Å; L554-V558 VanDerWaalsContact O-CG2 3.3Å; L554-V558 WeakPolarHBondContact O-CG2 3.17Å; L554-V558 PolarHBondContact O-N 3.14Å; L554-L617 HydrophobicContact CD2-CD2 3.86Å; L554-L617 HydrophobicContact CG-CD2 4.2Å; L554-I620 HydrophobicContact CD2-CD1 4.36Å; L554-I620 HydrophobicContact CD2-CG2 4.34Å
555M56.9Low44Very low40 Ų40106.2 Ų106.220%0.19755%0.55CS..Hα-helixtrans-55.4-38.8172.9-172.6-176.162.600113.5P553 V558 Q559 L617 N618P553-M555 PolarHBondContact O-N 3.37Å; P553-M555 VanDerWaalsContact O-N 3.07Å; M555-V558 PolarHBondContact O-N 2.9Å; M555-Q559 HydrophobicContact CG-CG 4.38Å; M555-Q559 VanDerWaalsContact O-CB 3.31Å; M555-Q559 WeakPolarHBondContact O-CB 3.36Å; M555-Q559 WeakPolarHBondContact O-CG 3.43Å; M555-Q559 PolarHBondContact O-N 2.84Å; M555-Q559 PolarHBondContact SD-NE2 3.41Å; M555-L617 HydrophobicContact CB-CB 4Å; M555-N618 VanDerWaalsContact CB-OD1 3.32Å; M555-N618 WeakPolarHBondContact CB-OD1 3.42Å; M555-N618 WeakPolarHBondContact CE-OD1 3.25Å; M555-N618 PolarHBondContact SD-OD1 2.66Å
556R52.7Low44.2Very low171 Ų171109.6 Ų109.665%0.64555%0.551SS**Hα-helixtrans-67.2-42176.4-98.1-171.1179.6168.51.1111.8I552 P553 L554 V558 Q559 S560I552-R556 HydrophobicContact CG2-CB 3.62Å; P553-R556 WeakPolarHBondContact O-CA 3.41Å; P553-R556 WeakPolarHBondContact O-CB 3.32Å; P553-R556 PolarHBondContact O-N 3.29Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-R556 PolarHBondContact O-N 3.35Å; R556-V558 VanDerWaalsContact C-N 3.31Å; R556-V558 PolarHBondContact O-N 3.5Å; R556-Q559 PolarHBondContact O-N 3.33Å; R556-S560 PolarHBondContact O-N 3.44Å
557V56.2Low44.5Very low44 Ų44107.8 Ų107.827%0.26755%0.553SS.*Hα-helixtrans-63.2-40.3176.3-174.50000110.5I552 P553 L554 S560 I845I552-V557 HydrophobicContact CB-CG2 4.26Å; I552-V557 HydrophobicContact CG2-CG2 3.84Å; P553-V557 PolarHBondContact O-N 2.9Å; L554-V557 PolarHBondContact O-N 2.99Å; V557-S560 PolarHBondContact O-OG 2.91Å; V557-I845 HydrophobicContact CG1-CG1 4.24Å
558V54.2Low45.5Very low12 Ų12107 Ų1077%0.07356%0.561CS.*Hα-helixtrans-70.4-34.5176.5173.80000111.8L554 M555 R556 R562 I573 L595 G596 L617L554-V558 HydrophobicContact CD1-CG2 4.35Å; L554-V558 HydrophobicContact CG-CG2 4.34Å; L554-V558 WeakPolarHBondContact O-CB 3.27Å; L554-V558 VanDerWaalsContact O-CG2 3.3Å; L554-V558 WeakPolarHBondContact O-CG2 3.17Å; L554-V558 PolarHBondContact O-N 3.14Å; M555-V558 PolarHBondContact O-N 2.9Å; R556-V558 VanDerWaalsContact C-N 3.31Å; R556-V558 PolarHBondContact O-N 3.5Å; V558-R562 PolarHBondContact O-N 2.99Å; V558-I573 HydrophobicContact CB-CD1 4.46Å; V558-I573 HydrophobicContact CG1-CD1 3.27Å; V558-I573 WeakPolarHBondContact O-CD1 3.4Å; V558-L595 HydrophobicContact CG1-CD1 4.45Å; V558-G596 WeakPolarHBondContact CG1-O 3.44Å; V558-L617 HydrophobicContact CB-CD1 3.95Å; V558-L617 HydrophobicContact CG1-CD1 3.71Å; V558-L617 HydrophobicContact CG2-CD1 3.98Å
559Q56.2Low46.1Very low62 Ų62106.6 Ų106.629%0.2955%0.545SS..Hα-helixtrans-73.8-30176.4-76.7174.47.500113.7M555 R556 R562 H563M555-Q559 HydrophobicContact CG-CG 4.38Å; M555-Q559 VanDerWaalsContact O-CB 3.31Å; M555-Q559 WeakPolarHBondContact O-CB 3.36Å; M555-Q559 WeakPolarHBondContact O-CG 3.43Å; M555-Q559 PolarHBondContact O-N 2.84Å; M555-Q559 PolarHBondContact SD-NE2 3.41Å; R556-Q559 PolarHBondContact O-N 3.33Å; Q559-R562 VanDerWaalsContact O-CB 3.3Å; Q559-R562 WeakPolarHBondContact O-CB 3.33Å; Q559-R562 PolarHBondContact O-N 3.15Å; Q559-H563 PolarHBondContact O-N 2.89Å; Q559-H563 PolarHBondContact O-ND1 2.93Å
560S52.7Low47Very low69 Ų69103.6 Ų103.648%0.48354%0.54SS..Hα-helixtrans-66-39.8174.166.30000111.5R556 V557 R562 H563R556-S560 PolarHBondContact O-N 3.44Å; V557-S560 PolarHBondContact O-OG 2.91Å; S560-R562 PolarHBondContact O-N 2.82Å; S560-H563 PolarHBondContact O-N 3.36Å
561V50.5Low48.2Very low60 Ų6097.2 Ų97.236%0.36452%0.524SS..Hα-helixtrans-59.2-28.4172.4177.50000112.4T564 I573V561-T564 PolarHBondContact O-OG1 3.38Å; V561-I573 HydrophobicContact CG1-CG2 4.2Å
562R43.5Very low49Very low128 Ų12892.8 Ų92.848%0.48350%0.5SS..Hα-helixtrans-66.7-40.8174.3-169.2-161.4179.8-177.4-5.6112V558 Q559 S560 T564 K565 T597V558-R562 PolarHBondContact O-N 2.99Å; Q559-R562 VanDerWaalsContact O-CB 3.3Å; Q559-R562 WeakPolarHBondContact O-CB 3.33Å; Q559-R562 PolarHBondContact O-N 3.15Å; S560-R562 PolarHBondContact O-N 2.82Å; R562-T564 PolarHBondContact O-N 3.37Å; R562-K565 PolarHBondContact O-N 3.46Å; R562-T597 HydrophobicContact CB-CG2 4.26Å; R562-T597 HydrophobicContact CG-CG2 4.02Å
563H41.2Very low49.8Very low157 Ų15789.5 Ų89.573%0.72748%0.483SS*.Hα-helixtrans-68.6-19-173.9-70.382.1000113Q559 S560 K565Q559-H563 PolarHBondContact O-N 2.89Å; Q559-H563 PolarHBondContact O-ND1 2.93Å; S560-H563 PolarHBondContact O-N 3.36Å; H563-K565 VanDerWaalsContact C-N 3.29Å; H563-K565 PolarHBondContact O-N 2.7Å
564T45Very low50.2Low117 Ų11791.6 Ų91.672%0.71848%0.482SS*.THydrogen-bonded Turntrans-81.8-1.4173.165.60000114V561 R562V561-T564 PolarHBondContact O-OG1 3.38Å; R562-T564 PolarHBondContact O-N 3.37Å
565K34.8Very low51.1Low108 Ų10893.6 Ų93.647%0.4749%0.49SS..SBendtrans-114127.6175.3-69.2-176.9178.31770110.8R562 H563R562-K565 PolarHBondContact O-N 3.46Å; H563-K565 VanDerWaalsContact C-N 3.29Å; H563-K565 PolarHBondContact O-N 2.7Å
566R33.8Very low51.6Low236 Ų23693.8 Ų93.889%0.89149%0.493SS*.  trans-53.4141.2179.8-76.5-176175.6174.6-1.6112.1S569R566-S569 PolarHBondContact O-OG 3.25Å; R566-S569 VanDerWaalsContact O-OG 3.1Å
567S34.4Very low52.4Low127 Ų12790.1 Ų90.189%0.88848%0.48SS*.THydrogen-bonded Turntrans-57.5146.6-179.5-163.70000112.2
568G49.1Very low53Low81 Ų8189.4 Ų89.484%0.83547%0.474SS*.THydrogen-bonded Turntrans93.9-12.5-177.300000115.4
569S41.2Very low53.7Low75 Ų7589.5 Ų89.552%0.52447%0.474SS..SBendtrans-80.7142.9168.664.30000111.8R566R566-S569 PolarHBondContact O-OG 3.25Å; R566-S569 VanDerWaalsContact O-OG 3.1Å
570S49.1Very low54.6Low86 Ų8686.9 Ų86.960%0.60146%0.462SS*.  trans-41.5142.8-175.1-1750000114.6I572S570-I572 PolarHBondContact O-N 3.48Å; S570-I572 WeakPolarHBondContact OG-CD1 3.16Å; S570-I572 WeakPolarHBondContact OG-CG1 3.39Å
571L58.8Low55.6Low108 Ų10886.9 Ų86.957%0.56545%0.452SS*.SBendtrans-6310.7179.7-70.7165.6000115.2G596L571-G596 WeakPolarHBondContact O-CA 3.39Å
572I64Low57.2Low48 Ų4884.9 Ų84.925%0.24644%0.439CS..EExtended strand (participates in β ladder)trans-102.1117.9-172.3-57.9169.6000109.1S570 E575 R594S570-I572 PolarHBondContact O-N 3.48Å; S570-I572 WeakPolarHBondContact OG-CD1 3.16Å; S570-I572 WeakPolarHBondContact OG-CG1 3.39Å; I572-E575 HydrophobicContact CG2-CB 4.38Å; I572-E575 HydrophobicContact CG2-CG 4.4Å; I572-R594 HydrophobicContact CB-CG 4.43Å; I572-R594 HydrophobicContact CD1-CG 4.2Å; I572-R594 VanDerWaalsContact CD1-NE 3.28Å; I572-R594 HydrophobicContact CG1-CG 3.91Å; I572-R594 HydrophobicContact CG2-CG 3.81Å
573I61.8Low58.8Low42 Ų4282.2 Ų82.222%0.21544%0.435CS..EExtended strand (participates in β ladder)trans-83.8-38.2174.9-70.9164.3000110V558 V561 L595 T597V558-I573 HydrophobicContact CB-CD1 4.46Å; V558-I573 HydrophobicContact CG1-CD1 3.27Å; V558-I573 WeakPolarHBondContact O-CD1 3.4Å; V561-I573 HydrophobicContact CG1-CG2 4.2Å; I573-L595 HydrophobicContact CB-CD2 4.38Å; I573-L595 HydrophobicContact CB-CG 4.33Å; I573-L595 HydrophobicContact CG2-CD2 4.06Å; I573-L595 PolarHBondContact N-O 3.15Å; I573-T597 HydrophobicContact CD1-CG2 4.1Å
574R62.6Low60.7Low112 Ų11281.5 Ų81.542%0.42343%0.429SS..EExtended strand (participates in β ladder)trans-154.6151.2176.3-169.2168.2-156.2127.18.7112.6R594 L595 L837R574-R594 CarbonylContact O-C 3.33Å; R574-R594 WeakPolarHBondContact O-CA 3.43Å; R574-L595 HydrophobicContact CB-CB 4.31Å; R574-L595 PolarHBondContact N-O 2.92Å; R574-L595 PolarHBondContact O-N 3.15Å; R574-L837 VanDerWaalsContact CZ-CD2 3.49Å; R574-L837 VanDerWaalsContact NH1-CD1 3.3Å
575E75.2Confident62.1Low83 Ų8378 Ų7839%0.38841%0.406SS..EExtended strand (participates in β ladder)trans-144.4148163.759.2-170.6-17600110.6I572 F592 W593 R594I572-E575 HydrophobicContact CG2-CB 4.38Å; I572-E575 HydrophobicContact CG2-CG 4.4Å; E575-F592 HydrophobicContact CB-CE1 3.71Å; E575-F592 HydrophobicContact CB-CZ 3.77Å; E575-F592 HydrophobicContact CG-CE1 4.01Å; E575-F592 HydrophobicContact CG-CZ 3.78Å; E575-W593 VanDerWaalsContact CA-O 3.23Å; E575-W593 WeakPolarHBondContact CA-O 3.3Å; E575-W593 WeakPolarHBondContact CB-O 3.29Å; E575-R594 HydrophobicContact CB-CB 4.39Å; E575-R594 HydrophobicContact CB-CG 4.44Å; E575-R594 IonicContact OE2-CZ 3.52Å; E575-R594 IonicContact OE2-NE 2.69Å; E575-R594 PolarHBondContact OE2-NE 3.48Å; E575-R594 IonicContact OE2-NH2 2.66Å; E575-R594 PolarHBondContact OE2-NH2 3.16Å
576T67.2Low63.9Low43 Ų4377.4 Ų77.426%0.26441%0.414SS..EExtended strand (participates in β ladder)trans-169.9-175.3173.8-177.10000109.7F592 W593T576-F592 CarbonylContact O-C 3.5Å; T576-F592 WeakPolarHBondContact O-CA 3.43Å; T576-F592 VanDerWaalsContact O-CD2 3.26Å; T576-F592 WeakPolarHBondContact O-CD2 3.08Å; T576-W593 PolarHBondContact N-O 3.08Å; T576-W593 VanDerWaalsContact O-CD1 3.24Å; T576-W593 PolarHBondContact O-N 2.88Å
577W69.4Low65.7Low95 Ų9570.1 Ų70.136%0.3640%0.395SS..EExtended strand (participates in β ladder)trans-85.8141.6166-7594.1000111.1R590 H591 F592 H605W577-R590 HydrophobicContact CZ3-CG 4.31Å; W577-H591 VanDerWaalsContact CE3-C 3.4Å; W577-F592 AromaticContact CD1-CD2 3.78Å; W577-F592 HydrophobicContact CD2-CB 4.21Å; W577-F592 HydrophobicContact CD2-CD2 4.13Å; W577-F592 AromaticContact CE2-CD2 3.89Å; W577-F592 HydrophobicContact CE3-CB 4.27Å; W577-F592 HydrophobicContact CG-CD2 4.07Å; W577-F592 HydrophobicContact CH2-CB 4.27Å; W577-F592 HydrophobicContact CZ2-CB 4.19Å; W577-F592 HydrophobicContact CZ3-CB 4.31Å; W577-F592 AromaticContact NE1-CD2 3.65Å; W577-H605 AromaticContact CZ2-CD2 3.97Å
578M68.8Low67.1Low28 Ų2868.9 Ų68.914%0.13838%0.378CS..EExtended strand (participates in β ladder)trans-140.1143.2177.6171.2163.9-87.100110.1R590 H591 W593 V719M578-R590 WeakPolarHBondContact O-CA 3.4Å; M578-H591 PolarHBondContact N-O 2.75Å; M578-H591 PolarHBondContact O-N 3.35Å; M578-W593 HydrophobicContact CB-CD2 4.16Å; M578-W593 HydrophobicContact CB-CG 4.01Å; M578-W593 HydrophobicContact CE-CD2 4.08Å; M578-W593 HydrophobicContact CE-CE3 4.02Å; M578-W593 HydrophobicContact CE-CH2 3.36Å; M578-W593 HydrophobicContact CE-CZ2 3.38Å; M578-W593 HydrophobicContact CE-CZ3 3.68Å; M578-W593 HydrophobicContact SD-CD2 3.53Å; M578-W593 VanDerWaalsContact SD-CD2 3.53Å; M578-W593 HydrophobicContact SD-CE3 3.32Å; M578-W593 HydrophobicContact SD-CG 4.26Å; M578-W593 HydrophobicContact SD-CH2 3.85Å; M578-W593 HydrophobicContact SD-CZ2 4.01Å; M578-W593 HydrophobicContact SD-CZ3 3.49Å; M578-W593 WeakPolarHBondContact SD-CZ3 3.48Å; M578-V719 HydrophobicContact CE-CB 3.99Å; M578-V719 HydrophobicContact CE-CG2 4.1Å; M578-V719 HydrophobicContact CG-CB 4.31Å; M578-V719 HydrophobicContact SD-CB 3.62Å; M578-V719 HydrophobicContact SD-CG1 3.92Å; M578-V719 HydrophobicContact SD-CG2 4.19Å
579V68.8Low68.1Low15 Ų1569.3 Ų69.39%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-98140.7167.1-72.60000110L588 R589 R590 V719 G720 L722V579-L588 HydrophobicContact CB-CD1 4.14Å; V579-L588 HydrophobicContact CB-CG 4.24Å; V579-R589 WeakPolarHBondContact CA-O 3.36Å; V579-R590 HydrophobicContact CG1-CB 3.99Å; V579-V719 WeakPolarHBondContact O-CA 3.44Å; V579-G720 VanDerWaalsContact CG2-O 3.27Å; V579-G720 WeakPolarHBondContact CG2-O 3.5Å; V579-G720 PolarHBondContact N-O 3.5Å; V579-G720 PolarHBondContact O-N 2.79Å; V579-L722 HydrophobicContact CG1-CD1 3.75Å; V579-L722 HydrophobicContact CG2-CD1 4.21Å
580H74.5Confident69.6Low7 Ų774.9 Ų74.93%0.03236%0.364CS..EExtended strand (participates in β ladder)trans-145.2156.2176.678.4-61.2000112.2R589 H591 F612 Y717 Y718 V719H580-R589 PolarHBondContact N-O 3.13Å; H580-R589 PolarHBondContact ND1-O 2.91Å; H580-R589 PolarHBondContact O-N 3.35Å; H580-H591 AromaticContact CE1-CD2 3.35Å; H580-H591 PolarHBondContact CE1-CD2 2.9Å; H580-H591 AromaticContact CE1-NE2 3.82Å; H580-F612 AromaticContact NE2-CE1 3.73Å; H580-Y717 AromaticContact CD2-CD1 3.71Å; H580-Y717 AromaticContact CD2-CE1 3.82Å; H580-Y718 CarbonylContact C-O 3.56Å; H580-Y718 WeakPolarHBondContact CA-O 3.35Å; H580-V719 HydrophobicContact CB-CG1 3.84Å
581R74.7Confident70.9Confident69 Ų6971.5 Ų71.526%0.2634%0.339SS..EExtended strand (participates in β ladder)trans-139.1173.7160.865.4176.4-174.5174.23.6108.7L588 Y718R581-L588 HydrophobicContact CB-CD1 4.4Å; R581-Y718 HydrophobicContact CG-CD2 4.21Å; R581-Y718 HydrophobicContact CG-CG 4.44Å; R581-Y718 PolarHBondContact N-O 3.09Å; R581-Y718 PolarHBondContact O-N 3.46Å
582T83.1Confident71.8Confident17 Ų1767.2 Ų67.210%0.10432%0.316CS..EExtended strand (participates in β ladder)trans-122.6169.917567.90000112.6K584 D585 L715 I716 Y717T582-K584 PolarHBondContact O-N 3.31Å; T582-K584 PolarHBondContact OG1-N 2.91Å; T582-D585 PolarHBondContact N-O 3.34Å; T582-D585 CarbonylContact O-C 3.53Å; T582-D585 PolarHBondContact OG1-N 3.2Å; T582-L715 HydrophobicContact CG2-CD1 4.34Å; T582-L715 HydrophobicContact CG2-CG 4.39Å; T582-I716 CarbonylContact C-O 3.55Å; T582-I716 WeakPolarHBondContact CA-O 3.44Å; T582-I716 WeakPolarHBondContact CB-O 3.45Å; T582-Y717 HydrophobicContact CG2-CD1 3.66Å; T582-Y717 HydrophobicContact CG2-CD2 4.46Å; T582-Y717 HydrophobicContact CG2-CE1 3.52Å; T582-Y717 HydrophobicContact CG2-CE2 4.37Å; T582-Y717 HydrophobicContact CG2-CG 4.11Å
583N78.1Confident72.5Confident73 Ų7367 Ų6739%0.3931%0.311SS..SBendtrans-65.4-18.8167.961.9-24.9000113.7D714 I716 Y718N583-D714 PolarHBondContact ND2-O 3.39Å; N583-I716 HydrophobicContact CB-CB 4.17Å; N583-I716 PolarHBondContact N-O 3.47Å; N583-I716 PolarHBondContact OD1-N 2.99Å; N583-Y718 HydrophobicContact CB-CE2 4.29Å
584K80Confident73.4Confident141 Ų14167.6 Ų67.661%0.61331%0.311SS*.SBendtrans-103.4-19.5179.2-59.1-177-165.21640113.7T582 D713 L715T582-K584 PolarHBondContact O-N 3.31Å; T582-K584 PolarHBondContact OG1-N 2.91Å; K584-D713 PolarHBondContact NZ-O 3.24Å; K584-L715 HydrophobicContact CB-CD1 4.01Å; K584-L715 HydrophobicContact CD-CD1 3.71Å; K584-L715 HydrophobicContact CG-CD1 3.83Å
585D75.3Confident74.3Confident44 Ų4463.3 Ų63.324%0.23530%0.297CS..  trans-131.7107.1173.8178.75.6000109.4T582 V587 R589T582-D585 PolarHBondContact N-O 3.34Å; T582-D585 CarbonylContact O-C 3.53Å; T582-D585 PolarHBondContact OG1-N 3.2Å; D585-V587 PolarHBondContact O-N 2.99Å; D585-V587 VanDerWaalsContact OD1-CB 3.29Å; D585-V587 WeakPolarHBondContact OD1-CB 3.44Å; D585-V587 WeakPolarHBondContact OD1-CG2 3.25Å; D585-V587 PolarHBondContact OD1-N 2.98Å; D585-R589 IonicContact OD2-CZ 2.94Å; D585-R589 IonicContact OD2-NE 2.7Å; D585-R589 PolarHBondContact OD2-NE 3.04Å; D585-R589 IonicContact OD2-NH2 2.64Å; D585-R589 PolarHBondContact OD2-NH2 2.77Å
586P71.7Confident74.2Confident96 Ų9659.9 Ų59.962%0.62328%0.284SS*.  trans-75.4-10.3-176.932.1-36.1000113.6L588P586-L588 PolarHBondContact O-N 3.28Å
587V71.1Confident74.4Confident82 Ų8258.6 Ų58.650%0.49728%0.276SS..  trans-66.7123.5-177.2179.90000110.2D585 R589D585-V587 PolarHBondContact O-N 2.99Å; D585-V587 VanDerWaalsContact OD1-CB 3.29Å; D585-V587 WeakPolarHBondContact OD1-CB 3.44Å; D585-V587 WeakPolarHBondContact OD1-CG2 3.25Å; D585-V587 PolarHBondContact OD1-N 2.98Å; V587-R589 HydrophobicContact CG1-CG 4.2Å; V587-R589 PolarHBondContact O-N 3.11Å
588L64.5Low74.6Confident101 Ų10160.6 Ų60.653%0.52929%0.287SS..  trans-75.8111.8176.3-167.771.5000110.2V579 R581 P586V579-L588 HydrophobicContact CB-CD1 4.14Å; V579-L588 HydrophobicContact CB-CG 4.24Å; R581-L588 HydrophobicContact CB-CD1 4.4Å; P586-L588 PolarHBondContact O-N 3.28Å
589R71.2Confident75.3Confident91 Ų9160.1 Ų60.134%0.34329%0.286SS..EExtended strand (participates in β ladder)trans-112.4134.2-176.1-64173.4-172.2-112.61.7110.9V579 H580 D585 V587V579-R589 WeakPolarHBondContact CA-O 3.36Å; H580-R589 PolarHBondContact N-O 3.13Å; H580-R589 PolarHBondContact ND1-O 2.91Å; H580-R589 PolarHBondContact O-N 3.35Å; D585-R589 IonicContact OD2-CZ 2.94Å; D585-R589 IonicContact OD2-NE 2.7Å; D585-R589 PolarHBondContact OD2-NE 3.04Å; D585-R589 IonicContact OD2-NH2 2.64Å; D585-R589 PolarHBondContact OD2-NH2 2.77Å; V587-R589 HydrophobicContact CG1-CG 4.2Å; V587-R589 PolarHBondContact O-N 3.11Å
590R71.3Confident76Confident192 Ų19260 Ų6073%0.72529%0.285SS*.EExtended strand (participates in β ladder)trans-95.6129.7172.471.5-176.7-178-176.5-1111.5W577 M578 V579W577-R590 HydrophobicContact CZ3-CG 4.31Å; M578-R590 WeakPolarHBondContact O-CA 3.4Å; V579-R590 HydrophobicContact CG1-CB 3.99Å
591H76.9Confident76.6Confident15 Ų1560.3 Ų60.37%0.06929%0.287CS..EExtended strand (participates in β ladder)trans-136.3156.3173.7-72.2-37.6000111.2W577 M578 H580 W593 M602 F603 F612W577-H591 VanDerWaalsContact CE3-C 3.4Å; M578-H591 PolarHBondContact N-O 2.75Å; M578-H591 PolarHBondContact O-N 3.35Å; H580-H591 AromaticContact CE1-CD2 3.35Å; H580-H591 PolarHBondContact CE1-CD2 2.9Å; H580-H591 AromaticContact CE1-NE2 3.82Å; H591-W593 PolarHBondContact O-N 2.85Å; H591-M602 HydrophobicContact CB-CB 4Å; H591-F603 WeakPolarHBondContact CB-O 3.11Å; H591-F612 AromaticContact CD2-CD1 3.5Å; H591-F612 VanDerWaalsContact CD2-CD1 3.5Å; H591-F612 WeakPolarHBondContact CD2-CD1 3.49Å; H591-F612 AromaticContact CD2-CG 3.81Å; H591-F612 AromaticContact CE1-CG 3.93Å; H591-F612 WeakPolarHBondContact NE2-CB 3.48Å; H591-F612 AromaticContact NE2-CD1 3.23Å; H591-F612 WeakPolarHBondContact NE2-CD1 3.33Å; H591-F612 AromaticContact NE2-CD2 3.8Å; H591-F612 AromaticContact NE2-CE1 3.83Å; H591-F612 AromaticContact NE2-CG 3.2Å; H591-F612 WeakPolarHBondContact NE2-CG 3.27Å
592F78.4Confident77.2Confident18 Ų1857.6 Ų57.68%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-86.997.8170.9-171.7-97000108.3E575 T576 W577 F603 E606E575-F592 HydrophobicContact CB-CE1 3.71Å; E575-F592 HydrophobicContact CB-CZ 3.77Å; E575-F592 HydrophobicContact CG-CE1 4.01Å; E575-F592 HydrophobicContact CG-CZ 3.78Å; T576-F592 CarbonylContact O-C 3.5Å; T576-F592 WeakPolarHBondContact O-CA 3.43Å; T576-F592 VanDerWaalsContact O-CD2 3.26Å; T576-F592 WeakPolarHBondContact O-CD2 3.08Å; W577-F592 AromaticContact CD1-CD2 3.78Å; W577-F592 HydrophobicContact CD2-CB 4.21Å; W577-F592 HydrophobicContact CD2-CD2 4.13Å; W577-F592 AromaticContact CE2-CD2 3.89Å; W577-F592 HydrophobicContact CE3-CB 4.27Å; W577-F592 HydrophobicContact CG-CD2 4.07Å; W577-F592 HydrophobicContact CH2-CB 4.27Å; W577-F592 HydrophobicContact CZ2-CB 4.19Å; W577-F592 HydrophobicContact CZ3-CB 4.31Å; W577-F592 AromaticContact NE1-CD2 3.65Å; F592-F603 HydrophobicContact CB-CB 4.44Å; F592-F603 PolarHBondContact N-O 3.38Å; F592-F603 WeakPolarHBondContact O-CA 3.18Å; F592-F603 WeakPolarHBondContact O-CB 3.42Å; F592-F603 PolarHBondContact O-N 3.46Å; F592-E606 HydrophobicContact CD1-CB 3.89Å; F592-E606 HydrophobicContact CD2-CB 3.8Å; F592-E606 HydrophobicContact CE1-CB 3.88Å; F592-E606 HydrophobicContact CE2-CB 3.8Å; F592-E606 HydrophobicContact CG-CB 3.82Å; F592-E606 HydrophobicContact CZ-CB 3.83Å
593W77.7Confident77.3Confident42 Ų4257.6 Ų57.616%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-83.8153.7-178.178.3-25.9000112.1E575 T576 M578 H591 I600 T601 M602E575-W593 VanDerWaalsContact CA-O 3.23Å; E575-W593 WeakPolarHBondContact CA-O 3.3Å; E575-W593 WeakPolarHBondContact CB-O 3.29Å; T576-W593 PolarHBondContact N-O 3.08Å; T576-W593 VanDerWaalsContact O-CD1 3.24Å; T576-W593 PolarHBondContact O-N 2.88Å; M578-W593 HydrophobicContact CB-CD2 4.16Å; M578-W593 HydrophobicContact CB-CG 4.01Å; M578-W593 HydrophobicContact CE-CD2 4.08Å; M578-W593 HydrophobicContact CE-CE3 4.02Å; M578-W593 HydrophobicContact CE-CH2 3.36Å; M578-W593 HydrophobicContact CE-CZ2 3.38Å; M578-W593 HydrophobicContact CE-CZ3 3.68Å; M578-W593 HydrophobicContact SD-CD2 3.53Å; M578-W593 VanDerWaalsContact SD-CD2 3.53Å; M578-W593 HydrophobicContact SD-CE3 3.32Å; M578-W593 HydrophobicContact SD-CG 4.26Å; M578-W593 HydrophobicContact SD-CH2 3.85Å; M578-W593 HydrophobicContact SD-CZ2 4.01Å; M578-W593 HydrophobicContact SD-CZ3 3.49Å; M578-W593 WeakPolarHBondContact SD-CZ3 3.48Å; H591-W593 PolarHBondContact O-N 2.85Å; W593-I600 HydrophobicContact CD2-CG2 4.49Å; W593-I600 HydrophobicContact CE3-CG2 3.61Å; W593-I600 HydrophobicContact CZ3-CD1 4.41Å; W593-I600 HydrophobicContact CZ3-CG2 4.27Å; W593-T601 CarbonylContact C-O 3.36Å; W593-T601 WeakPolarHBondContact CA-O 3.23Å; W593-M602 HydrophobicContact CB-CG 4.28Å
594R81Confident77.2Confident55 Ų5560.3 Ų60.321%0.20828%0.282CS..EExtended strand (participates in β ladder)trans-137114.8179-176.3174.2-82.5165.7-5108.8I572 R574 E575 G596 T601 F603I572-R594 HydrophobicContact CB-CG 4.43Å; I572-R594 HydrophobicContact CD1-CG 4.2Å; I572-R594 VanDerWaalsContact CD1-NE 3.28Å; I572-R594 HydrophobicContact CG1-CG 3.91Å; I572-R594 HydrophobicContact CG2-CG 3.81Å; R574-R594 CarbonylContact O-C 3.33Å; R574-R594 WeakPolarHBondContact O-CA 3.43Å; E575-R594 HydrophobicContact CB-CB 4.39Å; E575-R594 HydrophobicContact CB-CG 4.44Å; E575-R594 IonicContact OE2-CZ 3.52Å; E575-R594 IonicContact OE2-NE 2.69Å; E575-R594 PolarHBondContact OE2-NE 3.48Å; E575-R594 IonicContact OE2-NH2 2.66Å; E575-R594 PolarHBondContact OE2-NH2 3.16Å; R594-G596 PolarHBondContact O-N 3.16Å; R594-T601 PolarHBondContact N-O 3.38Å; R594-T601 PolarHBondContact O-N 3.04Å; R594-F603 HydrophobicContact CB-CD2 4.19Å; R594-F603 HydrophobicContact CB-CE2 3.78Å; R594-F603 HydrophobicContact CG-CE2 4.46Å
595L80.6Confident77.1Confident23 Ų2357 Ų5712%0.1227%0.269CS..EExtended strand (participates in β ladder)trans-83.3106.4171.4176.463.5000108.5V558 I573 R574 I600 L617V558-L595 HydrophobicContact CG1-CD1 4.45Å; I573-L595 HydrophobicContact CB-CD2 4.38Å; I573-L595 HydrophobicContact CB-CG 4.33Å; I573-L595 HydrophobicContact CG2-CD2 4.06Å; I573-L595 PolarHBondContact N-O 3.15Å; R574-L595 HydrophobicContact CB-CB 4.31Å; R574-L595 PolarHBondContact N-O 2.92Å; R574-L595 PolarHBondContact O-N 3.15Å; L595-I600 HydrophobicContact CD1-CD1 4.48Å; L595-I600 HydrophobicContact CD1-CG1 3.77Å; L595-L617 HydrophobicContact CD1-CD1 4.22Å; L595-L617 HydrophobicContact CD1-CD2 3.93Å
596G74.9Confident76.9Confident11 Ų1158.8 Ų58.811%0.11328%0.275CS..EExtended strand (participates in β ladder)trans-88.6-173.4169.200000112.3V558 L571 R594 K598 S599V558-G596 WeakPolarHBondContact CG1-O 3.44Å; L571-G596 WeakPolarHBondContact O-CA 3.39Å; R594-G596 PolarHBondContact O-N 3.16Å; G596-K598 VanDerWaalsContact C-N 3.28Å; G596-K598 PolarHBondContact O-N 2.98Å; G596-S599 PolarHBondContact N-O 2.8Å
597T70.2Confident76.9Confident16 Ų1662 Ų6210%0.09828%0.28CS..SBendtrans-81.1-4.9178.5550000114.4R562 I573R562-T597 HydrophobicContact CB-CG2 4.26Å; R562-T597 HydrophobicContact CG-CG2 4.02Å; I573-T597 HydrophobicContact CD1-CG2 4.1Å
598K74.3Confident76.7Confident137 Ų13760.7 Ų60.760%0.59627%0.272SS*.SBendtrans-133.9-26.7-178.6-64.9-174.3177.7-174.90113.4G596 N616 L617G596-K598 VanDerWaalsContact C-N 3.28Å; G596-K598 PolarHBondContact O-N 2.98Å; K598-N616 PolarHBondContact O-OD1 3.48Å; K598-L617 WeakPolarHBondContact O-CB 3.45Å; K598-L617 WeakPolarHBondContact O-CG 3.42Å; K598-L617 PolarHBondContact O-N 2.82Å
599S82.3Confident77.1Confident18 Ų1862.7 Ų62.713%0.12628%0.283CS..EExtended strand (participates in β ladder)trans-147.6160.6-169.951.30000112.9G596 E614 L615G596-S599 PolarHBondContact N-O 2.8Å; S599-E614 VanDerWaalsContact CB-OE1 3.24Å; S599-E614 WeakPolarHBondContact CB-OE1 2.94Å; S599-E614 PolarHBondContact OG-OE1 2.92Å; S599-L615 CarbonylContact C-O 3.59Å; S599-L615 WeakPolarHBondContact CA-O 3.35Å; S599-L615 VanDerWaalsContact CB-O 3.31Å; S599-L615 WeakPolarHBondContact CB-O 3.28Å
600I85.3Confident77Confident13 Ų1368.1 Ų68.17%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-102.9109.8163.2-60.6173.8000107.1W593 L595 L615 L617 I620 L709W593-I600 HydrophobicContact CD2-CG2 4.49Å; W593-I600 HydrophobicContact CE3-CG2 3.61Å; W593-I600 HydrophobicContact CZ3-CD1 4.41Å; W593-I600 HydrophobicContact CZ3-CG2 4.27Å; L595-I600 HydrophobicContact CD1-CD1 4.48Å; L595-I600 HydrophobicContact CD1-CG1 3.77Å; I600-L615 HydrophobicContact CB-CB 4.48Å; I600-L615 PolarHBondContact N-O 2.98Å; I600-L615 PolarHBondContact O-N 3.46Å; I600-L617 HydrophobicContact CD1-CD2 4.15Å; I600-L617 HydrophobicContact CG1-CD2 3.9Å; I600-I620 HydrophobicContact CD1-CD1 3.97Å; I600-L709 HydrophobicContact CD1-CD2 4.21Å
601T86.1Confident77.5Confident13 Ų1364.8 Ų64.88%0.0829%0.292CS..EExtended strand (participates in β ladder)trans-101.6124.5-179.7-36.10000109.8W593 R594 F603 Y611 E614W593-T601 CarbonylContact C-O 3.36Å; W593-T601 WeakPolarHBondContact CA-O 3.23Å; R594-T601 PolarHBondContact N-O 3.38Å; R594-T601 PolarHBondContact O-N 3.04Å; T601-F603 HydrophobicContact CG2-CD2 4.33Å; T601-F603 HydrophobicContact CG2-CE1 4.22Å; T601-F603 HydrophobicContact CG2-CE2 3.61Å; T601-F603 HydrophobicContact CG2-CZ 3.55Å; T601-Y611 HydrophobicContact CG2-CD1 4.02Å; T601-Y611 HydrophobicContact CG2-CD2 4.31Å; T601-Y611 HydrophobicContact CG2-CG 3.77Å; T601-E614 HydrophobicContact CG2-CB 4.28Å; T601-E614 HydrophobicContact CG2-CG 4.33Å; T601-E614 PolarHBondContact OG1-OE1 2.71Å
602M87.4Confident77.7Confident12 Ų1267.2 Ų67.26%0.05930%0.302CS..EExtended strand (participates in β ladder)trans-99.8105.7179.7-71.1173.2-91.500111H591 W593 Y611 F612 K613 L615 Y717H591-M602 HydrophobicContact CB-CB 4Å; W593-M602 HydrophobicContact CB-CG 4.28Å; M602-Y611 CarbonylContact O-C 3.51Å; M602-Y611 WeakPolarHBondContact O-CA 3.49Å; M602-Y611 WeakPolarHBondContact O-CB 3.32Å; M602-F612 PolarHBondContact O-N 3.49Å; M602-K613 WeakPolarHBondContact CB-O 3.34Å; M602-K613 HydrophobicContact CE-CB 3.84Å; M602-K613 HydrophobicContact CE-CG 3.9Å; M602-K613 PolarHBondContact N-O 3.44Å; M602-L615 HydrophobicContact CE-CD1 3.73Å; M602-L615 HydrophobicContact CE-CG 3.86Å; M602-Y717 HydrophobicContact CE-CE1 4.01Å
603F85.2Confident77.9Confident16 Ų1670.1 Ų70.17%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-86.4147.4179.9-64-89.1000112.8H591 F592 R594 T601 H605 T608 Y611H591-F603 WeakPolarHBondContact CB-O 3.11Å; F592-F603 HydrophobicContact CB-CB 4.44Å; F592-F603 PolarHBondContact N-O 3.38Å; F592-F603 WeakPolarHBondContact O-CA 3.18Å; F592-F603 WeakPolarHBondContact O-CB 3.42Å; F592-F603 PolarHBondContact O-N 3.46Å; R594-F603 HydrophobicContact CB-CD2 4.19Å; R594-F603 HydrophobicContact CB-CE2 3.78Å; R594-F603 HydrophobicContact CG-CE2 4.46Å; T601-F603 HydrophobicContact CG2-CD2 4.33Å; T601-F603 HydrophobicContact CG2-CE1 4.22Å; T601-F603 HydrophobicContact CG2-CE2 3.61Å; T601-F603 HydrophobicContact CG2-CZ 3.55Å; F603-H605 PolarHBondContact O-N 2.81Å; F603-T608 WeakPolarHBondContact CD1-O 3.2Å; F603-Y611 HydrophobicContact CE1-CD1 4.39Å
604Y76.4Confident78.5Confident130 Ų13072 Ų7251%0.5133%0.325SS..SBendtrans-61-34.4171.7-72.9-80.6000111.7R610 Y611 F612Y604-R610 HydrophobicContact CD2-CB 4.13Å; Y604-R610 WeakPolarHBondContact CD2-O 3.23Å; Y604-R610 PolarHBondContact N-O 2.99Å; Y604-Y611 WeakPolarHBondContact CE2-O 3.3Å; Y604-F612 HydrophobicContact CE1-CB 4.26Å; Y604-F612 HydrophobicContact CE1-CD2 4.33Å; Y604-F612 HydrophobicContact CE2-CB 4.17Å
605H78.4Confident78.6Confident73 Ų7370 Ų7034%0.33832%0.319SS..SBendtrans-157.6149.8179.8-172.6-97.2000111.2W577 F603 K607 T608W577-H605 AromaticContact CZ2-CD2 3.97Å; F603-H605 PolarHBondContact O-N 2.81Å; H605-K607 PolarHBondContact ND1-N 3.48Å; H605-K607 PolarHBondContact O-N 3.35Å; H605-K607 VanDerWaalsContact O-N 3.11Å; H605-T608 HydrophobicContact CB-CG2 4.03Å; H605-T608 PolarHBondContact N-OG1 3.4Å; H605-T608 PolarHBondContact O-N 3.29Å; H605-T608 PolarHBondContact O-OG1 3.02Å
606E71.1Confident78.8Confident80 Ų8071.9 Ų71.937%0.37433%0.329SS..THydrogen-bonded Turntrans-51.7-34.5-178.945.4152.5-134.900115.2F592F592-E606 HydrophobicContact CD1-CB 3.89Å; F592-E606 HydrophobicContact CD2-CB 3.8Å; F592-E606 HydrophobicContact CE1-CB 3.88Å; F592-E606 HydrophobicContact CE2-CB 3.8Å; F592-E606 HydrophobicContact CG-CB 3.82Å; F592-E606 HydrophobicContact CZ-CB 3.83Å
607K70.2Confident78.9Confident165 Ų16571.4 Ų71.472%0.71732%0.324SS*.THydrogen-bonded Turntrans-90.8-3.4-177.9-62.6179.1178.992.90114.1H605H605-K607 PolarHBondContact ND1-N 3.48Å; H605-K607 PolarHBondContact O-N 3.35Å; H605-K607 VanDerWaalsContact O-N 3.11Å
608T66.7Low79.3Confident53 Ų5374.6 Ų74.633%0.32534%0.34SS..  trans-107.6134.2-175.460.20000111.4F603 H605 R610F603-T608 WeakPolarHBondContact CD1-O 3.2Å; H605-T608 HydrophobicContact CB-CG2 4.03Å; H605-T608 PolarHBondContact N-OG1 3.4Å; H605-T608 PolarHBondContact O-N 3.29Å; H605-T608 PolarHBondContact O-OG1 3.02Å; T608-R610 PolarHBondContact O-N 3.36Å
609N73.7Confident79.6Confident143 Ų14371.8 Ų71.877%0.76533%0.332SS*.SBendtrans-79.2-3.4171.2-66.5-16.1000113.2
610R68.4Low79.4Confident205 Ų20571.5 Ų71.577%0.77433%0.329SS*.  trans-77.2124.3172.5-71.1-173.7178.9179.40.2109.6Y604 T608Y604-R610 HydrophobicContact CD2-CB 4.13Å; Y604-R610 WeakPolarHBondContact CD2-O 3.23Å; Y604-R610 PolarHBondContact N-O 2.99Å; T608-R610 PolarHBondContact O-N 3.36Å
611Y83Confident78.8Confident122 Ų12276.2 Ų76.248%0.47835%0.353SS..EExtended strand (participates in β ladder)trans-109.4152175.261.7-95.8000112.3T601 M602 F603 Y604 E614T601-Y611 HydrophobicContact CG2-CD1 4.02Å; T601-Y611 HydrophobicContact CG2-CD2 4.31Å; T601-Y611 HydrophobicContact CG2-CG 3.77Å; M602-Y611 CarbonylContact O-C 3.51Å; M602-Y611 WeakPolarHBondContact O-CA 3.49Å; M602-Y611 WeakPolarHBondContact O-CB 3.32Å; F603-Y611 HydrophobicContact CE1-CD1 4.39Å; Y604-Y611 WeakPolarHBondContact CE2-O 3.3Å; Y611-E614 HydrophobicContact CD2-CB 4.33Å; Y611-E614 HydrophobicContact CE2-CB 4.09Å
612F80.9Confident77.9Confident66 Ų6677.1 Ų77.129%0.28936%0.359SS..EExtended strand (participates in β ladder)trans-80.1-48.4175.7168.5-106.8000110.9H580 H591 M602 Y604H580-F612 AromaticContact NE2-CE1 3.73Å; H591-F612 AromaticContact CD2-CD1 3.5Å; H591-F612 VanDerWaalsContact CD2-CD1 3.5Å; H591-F612 WeakPolarHBondContact CD2-CD1 3.49Å; H591-F612 AromaticContact CD2-CG 3.81Å; H591-F612 AromaticContact CE1-CG 3.93Å; H591-F612 WeakPolarHBondContact NE2-CB 3.48Å; H591-F612 AromaticContact NE2-CD1 3.23Å; H591-F612 WeakPolarHBondContact NE2-CD1 3.33Å; H591-F612 AromaticContact NE2-CD2 3.8Å; H591-F612 AromaticContact NE2-CE1 3.83Å; H591-F612 AromaticContact NE2-CG 3.2Å; H591-F612 WeakPolarHBondContact NE2-CG 3.27Å; M602-F612 PolarHBondContact O-N 3.49Å; Y604-F612 HydrophobicContact CE1-CB 4.26Å; Y604-F612 HydrophobicContact CE1-CD2 4.33Å; Y604-F612 HydrophobicContact CE2-CB 4.17Å
613K83.1Confident76.8Confident80 Ų8079.6 Ų79.635%0.34837%0.373SS..EExtended strand (participates in β ladder)trans-154145.8-179.4179.773.1176.4-172.60109.5M602 L615M602-K613 WeakPolarHBondContact CB-O 3.34Å; M602-K613 HydrophobicContact CE-CB 3.84Å; M602-K613 HydrophobicContact CE-CG 3.9Å; M602-K613 PolarHBondContact N-O 3.44Å; K613-L615 HydrophobicContact CG-CD2 4.12Å; K613-L615 HydrophobicContact CG-CG 4.48Å
614E88.9Confident75.4Confident81 Ų8183.7 Ų83.738%0.37939%0.392SS..EExtended strand (participates in β ladder)trans-116.5136.2168.6-175.1161.6-143.300108.6S599 T601 Y611S599-E614 VanDerWaalsContact CB-OE1 3.24Å; S599-E614 WeakPolarHBondContact CB-OE1 2.94Å; S599-E614 PolarHBondContact OG-OE1 2.92Å; T601-E614 HydrophobicContact CG2-CB 4.28Å; T601-E614 HydrophobicContact CG2-CG 4.33Å; T601-E614 PolarHBondContact OG1-OE1 2.71Å; Y611-E614 HydrophobicContact CD2-CB 4.33Å; Y611-E614 HydrophobicContact CE2-CB 4.09Å
615L82.8Confident74.1Confident14 Ų1481.8 Ų81.87%0.07340%0.396CS..EExtended strand (participates in β ladder)trans-116.5120.2176.6-60.9176.3000108.3S599 I600 M602 K613 Y717S599-L615 CarbonylContact C-O 3.59Å; S599-L615 WeakPolarHBondContact CA-O 3.35Å; S599-L615 VanDerWaalsContact CB-O 3.31Å; S599-L615 WeakPolarHBondContact CB-O 3.28Å; I600-L615 HydrophobicContact CB-CB 4.48Å; I600-L615 PolarHBondContact N-O 2.98Å; I600-L615 PolarHBondContact O-N 3.46Å; M602-L615 HydrophobicContact CE-CD1 3.73Å; M602-L615 HydrophobicContact CE-CG 3.86Å; K613-L615 HydrophobicContact CG-CD2 4.12Å; K613-L615 HydrophobicContact CG-CG 4.48Å; L615-Y717 HydrophobicContact CD1-CD1 4.29Å; L615-Y717 HydrophobicContact CD1-CD2 3.87Å; L615-Y717 HydrophobicContact CD1-CE1 4.22Å; L615-Y717 HydrophobicContact CD1-CE2 3.75Å; L615-Y717 HydrophobicContact CD1-CG 4.15Å; L615-Y717 HydrophobicContact CD2-CD2 4.47Å; L615-Y717 HydrophobicContact CD2-CE2 3.63Å; L615-Y717 HydrophobicContact CG-CE2 4.33Å
616N84.6Confident72.6Confident61 Ų6180 Ų8033%0.32639%0.393SS..EExtended strand (participates in β ladder)trans-73.5139.2176.8-170-1.5000109.4K598 N618 D619K598-N616 PolarHBondContact O-OD1 3.48Å; N616-N618 PolarHBondContact O-N 3.41Å; N616-D619 HydrophobicContact CB-CB 4.32Å; N616-D619 VanDerWaalsContact CB-OD2 3.31Å; N616-D619 WeakPolarHBondContact CB-OD2 3.32Å; N616-D619 PolarHBondContact O-N 2.76Å
617L78.8Confident71.3Confident2 Ų278.7 Ų78.71%0.0140%0.401CS..THydrogen-bonded Turntrans-68.7-16.5-178-68.9170.8000113.1L554 M555 V558 L595 K598 I600 I620L554-L617 HydrophobicContact CD2-CD2 3.86Å; L554-L617 HydrophobicContact CG-CD2 4.2Å; M555-L617 HydrophobicContact CB-CB 4Å; V558-L617 HydrophobicContact CB-CD1 3.95Å; V558-L617 HydrophobicContact CG1-CD1 3.71Å; V558-L617 HydrophobicContact CG2-CD1 3.98Å; L595-L617 HydrophobicContact CD1-CD1 4.22Å; L595-L617 HydrophobicContact CD1-CD2 3.93Å; K598-L617 WeakPolarHBondContact O-CB 3.45Å; K598-L617 WeakPolarHBondContact O-CG 3.42Å; K598-L617 PolarHBondContact O-N 2.82Å; I600-L617 HydrophobicContact CD1-CD2 4.15Å; I600-L617 HydrophobicContact CG1-CD2 3.9Å; L617-I620 HydrophobicContact CD2-CD1 4.29Å
618N77.1Confident69.7Low83 Ų8378.3 Ų78.344%0.44441%0.413SS..THydrogen-bonded Turntrans-79.9-22170.9-71.6-11.4000113M555 N616 I620M555-N618 VanDerWaalsContact CB-OD1 3.32Å; M555-N618 WeakPolarHBondContact CB-OD1 3.42Å; M555-N618 WeakPolarHBondContact CE-OD1 3.25Å; M555-N618 PolarHBondContact SD-OD1 2.66Å; N616-N618 PolarHBondContact O-N 3.41Å; N618-I620 VanDerWaalsContact C-N 3.29Å
619D81.5Confident68Low77 Ų7780.6 Ų80.641%0.41242%0.423SS..SBendtrans-87-3.5-177-55-6.8000111.5N616 C711 V712N616-D619 HydrophobicContact CB-CB 4.32Å; N616-D619 VanDerWaalsContact CB-OD2 3.31Å; N616-D619 WeakPolarHBondContact CB-OD2 3.32Å; N616-D619 PolarHBondContact O-N 2.76Å; D619-C711 CarbonylContact O-C 3.55Å; D619-C711 WeakPolarHBondContact O-CA 3.29Å; D619-V712 WeakPolarHBondContact O-CG2 3.43Å; D619-V712 PolarHBondContact O-N 3.26Å
620I77.6Confident66.1Low13 Ų1377.7 Ų77.77%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-95.3108.2177.7-62.1166000108.2L554 I600 L617 N618 L709L554-I620 HydrophobicContact CD2-CD1 4.36Å; L554-I620 HydrophobicContact CD2-CG2 4.34Å; I600-I620 HydrophobicContact CD1-CD1 3.97Å; L617-I620 HydrophobicContact CD2-CD1 4.29Å; N618-I620 VanDerWaalsContact C-N 3.29Å; I620-L709 HydrophobicContact CD1-CD2 3.91Å; I620-L709 HydrophobicContact CG2-CB 4.36Å; I620-L709 HydrophobicContact CG2-CD2 4.31Å
621I73.2Confident64.3Low112 Ų11274.3 Ų74.357%0.57440%0.4SS*.EExtended strand (participates in β ladder)trans-74.1-48.3-179.1-60.7176.7000110.6R710 V712I621-R710 PolarHBondContact N-O 2.93Å; I621-V712 HydrophobicContact CD1-CB 4.38Å; I621-V712 HydrophobicContact CD1-CG2 3.9Å; I621-V712 HydrophobicContact CG1-CG2 3.6Å
622C67.2Low61.8Low31 Ų3172.3 Ų72.321%0.20940%0.402CS..EExtended strand (participates in β ladder)trans-143.4158.3177.671.30000112.7E624 R710C622-E624 PolarHBondContact SG-OE1 3.02Å; C622-E624 VanDerWaalsContact SG-OE1 3.32Å; C622-R710 PolarHBondContact O-N 2.69Å; C622-R710 VanDerWaalsContact SG-CB 3.58Å
623L64.5Low59.6Low65 Ų6576.2 Ų76.234%0.3442%0.415SS..EExtended strand (participates in β ladder)trans-130.2109.9173.8171.970.4000107F707 E708 L709 L841L623-F707 HydrophobicContact CD1-CB 4.17Å; L623-E708 WeakPolarHBondContact CA-O 3.18Å; L623-L709 HydrophobicContact CD1-CD2 3.99Å; L623-L709 HydrophobicContact CD1-CG 3.75Å; L623-L841 HydrophobicContact CD2-CD2 3.7Å
624E54.5Low56.9Low101 Ų10177.2 Ų77.247%0.47243%0.431SS..EExtended strand (participates in β ladder)trans-126.6148.7-175.6-72.2172.3-146.700110.4C622 A626 F707 E708C622-E624 PolarHBondContact SG-OE1 3.02Å; C622-E624 VanDerWaalsContact SG-OE1 3.32Å; E624-A626 PolarHBondContact O-N 2.78Å; E624-F707 CarbonylContact O-C 3.5Å; E624-F707 WeakPolarHBondContact O-CA 3.47Å; E624-E708 PolarHBondContact N-O 2.91Å; E624-E708 PolarHBondContact O-N 2.85Å
625P49.1Very low53.8Low91 Ų9180.7 Ų80.759%0.59145%0.447SS*.EExtended strand (participates in β ladder)trans-61.1132.4163.3-1428.6000108.6G627 F707P625-G627 PolarHBondContact O-N 2.89Å; P625-G627 VanDerWaalsContact O-N 3.11Å; P625-F707 HydrophobicContact CB-CD1 4.4Å; P625-F707 HydrophobicContact CB-CE1 4.25Å; P625-F707 HydrophobicContact CG-CE1 4.2Å
626A47.4Very low51.2Low35 Ų3585.9 Ų85.929%0.28948%0.482SS..PPolyproline II helixtrans-58.2122.5169.600000107.7E624 V706 E708E624-A626 PolarHBondContact O-N 2.78Å; A626-V706 HydrophobicContact CB-CB 4.43Å; A626-V706 HydrophobicContact CB-CG1 4.43Å; A626-V706 WeakPolarHBondContact CB-O 3.49Å; A626-V706 PolarHBondContact N-O 2.81Å; A626-E708 HydrophobicContact CB-CG 4.18Å
627G43.3Very low48.4Very low52 Ų5290.1 Ų90.154%0.53650%0.504SS..PPolyproline II helixtrans-57.9164.9-164.900000114.3P625 N629P625-G627 PolarHBondContact O-N 2.89Å; P625-G627 VanDerWaalsContact O-N 3.11Å; G627-N629 CarbonylContact O-C 3.56Å; G627-N629 PolarHBondContact O-N 3.22Å
628T37.3Very low46Very low157 Ų15796.9 Ų96.996%0.96355%0.546SS*.SBendtrans-62.810.9-170.747.70000116.8P630T628-P630 WeakPolarHBondContact O-CD 3.28Å
629N30.8Very low43.6Very low102 Ų10297.1 Ų97.155%0.54555%0.554SS.*  trans-111.886162.5-173.63.2000109.9G627 Y631 P632G627-N629 CarbonylContact O-C 3.56Å; G627-N629 PolarHBondContact O-N 3.22Å; N629-Y631 PolarHBondContact O-N 3.19Å; N629-Y631 PolarHBondContact OD1-N 3.34Å; N629-P632 WeakPolarHBondContact O-CD 3.42Å
630P34Very low40.9Very low82 Ų82101.7 Ų101.753%0.53257%0.573SS.*SBendtrans-69.24.7176.727.4-33.5000114.2T628T628-P630 WeakPolarHBondContact O-CD 3.28Å
631Y30.8Very low38.4Very low133 Ų133106.1 Ų106.152%0.52261%0.612SS.*  trans-130.258.3179.8-54.4-74.7000114.8N629 W633 C634N629-Y631 PolarHBondContact O-N 3.19Å; N629-Y631 PolarHBondContact OD1-N 3.34Å; Y631-W633 PolarHBondContact O-N 3.1Å; Y631-C634 PolarHBondContact O-N 2.98Å
632P30.1Very low36Very low81 Ų81106 Ų10653%0.52662%0.616SS.*THydrogen-bonded Turntrans-59.6-18.7172-19.432.3000114N629N629-P632 WeakPolarHBondContact O-CD 3.42Å
633W35.9Very low33.9Very low147 Ų147110.7 Ų110.756%0.55764%0.644SS**THydrogen-bonded Turntrans-108.418.7-178.153.675.5000114Y631 Q635Y631-W633 PolarHBondContact O-N 3.1Å; W633-Q635 PolarHBondContact O-N 2.97Å
634C24.9Very low31.9Very low101 Ų101112.9 Ų112.968%0.68267%0.665SS**  trans-82.939.8153.8-81.20000111.3Y631Y631-C634 PolarHBondContact O-N 2.98Å
635Q25.1Very low30.4Very low155 Ų155113.1 Ų113.172%0.72467%0.673SS**SBendtrans-77.2118.3151.2-69.2-103.9-41.400105.7W633 N637W633-Q635 PolarHBondContact O-N 2.97Å; Q635-N637 PolarHBondContact O-N 3.39Å
636P27.4Very low29.1Very low122 Ų122116.2 Ų116.279%0.79268%0.683SS**  trans-61.2136.1-178.825.6-33.3000110T638P636-T638 PolarHBondContact O-N 3.06Å
637N26.7Very low27.8Very low150 Ų150119.3 Ų119.380%0.80270%0.699SS**  trans-43.7121-171.1-71-26.2000113.2Q635 S639Q635-N637 PolarHBondContact O-N 3.39Å; N637-S639 VanDerWaalsContact C-N 3.25Å; N637-S639 PolarHBondContact O-N 2.78Å
638T27.9Very low26.8Very low145 Ų145122.4 Ų122.489%0.8971%0.707SS**  trans-65.483.7163.942.70000109.7P636P636-T638 PolarHBondContact O-N 3.06Å
639S25.6Very low26Very low88 Ų88120 Ų12062%0.61569%0.693SS**  trans-156.563.7179.6-560000112.8N637N637-S639 VanDerWaalsContact C-N 3.25Å; N637-S639 PolarHBondContact O-N 2.78Å
640Q26.1Very low25.6Very low173 Ų173120.4 Ų120.481%0.80870%0.699SS**  trans-174.478.8146.9-103.3156.651.900110.7T642Q640-T642 PolarHBondContact O-N 3Å; Q640-T642 VanDerWaalsContact O-N 3.09Å
641A25.2Very low25Very low106 Ų106121.7 Ų121.788%0.87671%0.705SS**  trans-77.180.916000000108.7
642T22.3Very low24.6Very low109 Ų109120.8 Ų120.867%0.66971%0.714SS**  trans-105.686167440000109.6Q640Q640-T642 PolarHBondContact O-N 3Å; Q640-T642 VanDerWaalsContact O-N 3.09Å
643T23.2Very low24.3Very low129 Ų129121.9 Ų121.979%0.79172%0.719SS**  trans24.4104.2135.7-35.60000116.9
644S22.2Very low24.1Very low112 Ų112120.8 Ų120.878%0.78373%0.729SS**  trans167.2154.1131.943.70000111.7
645T22.7Very low24.9Very low105 Ų105120.6 Ų120.664%0.64473%0.727SS**  cis-172.2122.2-20.8-90.80000105.4
646I21.7Very low24.9Very low156 Ų156120.1 Ų120.180%0.873%0.729SS**  trans65.5152.2154.5-68.7172.3000117
647T21.5Very low24.8Very low101 Ų101122 Ų12262%0.6273%0.733SS**  cis-173.3171.1-27-72.30000104.3
648T20.8Very low24.7Very low116 Ų116120.4 Ų120.471%0.71273%0.732SS**  trans70.4135.3154.7250000116.3
649T21.4Very low25.2Very low107 Ų107118.1 Ų118.166%0.65672%0.719SS**  cis-162.1152.53.4-9.40000109.6
650T21.3Very low25.3Very low111 Ų111120 Ų12068%0.68172%0.722SS**  trans30.7140.5137.8600000120.3
651T22.4Very low25.4Very low108 Ų108115.4 Ų115.466%0.66371%0.706SS**  cis-177149.520.512.40000109.8
652T22.7Very low25.5Very low114 Ų114116.5 Ų116.570%0.69970%0.696SS**  trans54.9145.6140.463.20000120.9
653T24.5Very low25.7Very low104 Ų104114 Ų11464%0.63868%0.679SS**  cis-170.2128.7-1.1210000110.4
654T29.7Very low26.1Very low124 Ų124116.5 Ų116.576%0.76168%0.679SS**  68.8160.8128.672.30000120.3
655P43.4Very low26.5Very low98 Ų98117.7 Ų117.764%0.63668%0.676SS**  -146.8-171.7-91.838.2-13.6000116.9
656N25Very low26.7Very low145 Ų145116.8 Ų116.878%0.77567%0.666SS**  trans66.481.8148.2-62.8-14.6000119.3
657N25.4Very low27.1Very low162 Ų162116 Ų11687%0.86666%0.664SS**  trans-165.1138.5133.3-104.5-26.2000112
658C22.8Very low27.6Very low116 Ų116117.5 Ų117.578%0.78467%0.668SS**  trans142.1145.3134.1-79.10000115.8
659P40.3Very low27.9Very low97 Ų97116.1 Ų116.163%0.6366%0.662SS**  trans-106.6175178.842-36.6000115.2
660N25.7Very low28.1Very low126 Ų126118 Ų11867%0.67466%0.664SS**  trans75.9123150.5-67.2-10.6000123.7
661T29.6Very low28.8Very low77 Ų77117.2 Ų117.247%0.47266%0.659SS.*  trans65.7173.1137.5570000122.7S169 S170 S171S169-T661 WeakPolarHBondContact O-CA 3.39Å; S169-T661 WeakPolarHBondContact O-CB 3.41Å; S169-T661 WeakPolarHBondContact O-CG2 3.2Å; S170-T661 WeakPolarHBondContact OG-CA 3.44Å; S170-T661 PolarHBondContact OG-N 3.36Å; S171-T661 WeakPolarHBondContact CB-O 3.48Å; S171-T661 PolarHBondContact N-O 2.86Å
662I27.7Very low29.3Very low129 Ų129121.6 Ų121.666%0.66266%0.663SS**BIsolated β-bridgetrans70105.4-173.2-51.1161.6000113.7S169 S171S169-I662 PolarHBondContact O-N 3.08Å; S171-I662 PolarHBondContact N-O 2.98Å
663N25.9Very low29.5Very low58 Ų58122.4 Ų122.431%0.3166%0.663SS.*  cis76.712549.9-128.918.9000117.7Q167 S169Q167-N663 PolarHBondContact O-ND2 3.35Å; Q167-N663 VanDerWaalsContact O-ND2 3.09Å; Q167-N663 PolarHBondContact O-OD1 3.36Å; S169-N663 VanDerWaalsContact CA-CB 3.45Å; S169-N663 PolarHBondContact N-OD1 2.66Å; S169-N663 VanDerWaalsContact OG-CB 3.29Å; S169-N663 WeakPolarHBondContact OG-CB 3.39Å; S169-N663 PolarHBondContact OG-ND2 3.24Å; S169-N663 VanDerWaalsContact OG-ND2 3.13Å
664K32.2Very low29.8Very low180 Ų180126.6 Ų126.678%0.78367%0.672SS**  trans-176.5116.3148.1-105.3161.5-174.6-178.90113.2
665N29.3Very low30Very low137 Ų137125 Ų12573%0.73367%0.666SS**  trans49.395.7133.6-66.7-3.1000121.3N667N665-N667 PolarHBondContact O-N 3.24Å
666I27.3Very low29.2Very low86 Ų86126.9 Ų126.944%0.44167%0.67SS.*  trans-74.4103.4151.2-69.8167.2000109.7N165 Q167N165-I666 VanDerWaalsContact ND2-CD1 3.33Å; N165-I666 WeakPolarHBondContact ND2-CD1 3.3Å; Q167-I666 HydrophobicContact CG-CD1 4.25Å; Q167-I666 VanDerWaalsContact NE2-CD1 3.27Å
667N29.3Very low29.3Very low140 Ų140126 Ų12675%0.74967%0.665SS**  trans-146.72.8158.7-104.5-6.3000114.2N665N665-N667 PolarHBondContact O-N 3.24Å
668D32.9Very low29.4Very low132 Ų132125.3 Ų125.371%0.70666%0.661SS**SBendtrans-98.9-1-177.8-112.2-20.8000114.7
669C27Very low29.8Very low87 Ų87125.6 Ų125.659%0.58865%0.654SS**Hα-helixtrans-82.2-22.9176.6-75.70000113.4R672 L673C669-R672 PolarHBondContact O-N 3.3Å; C669-L673 PolarHBondContact O-N 2.85Å
670E26.6Very low29.3Very low147 Ų147126.8 Ų126.869%0.68765%0.652SS**Hα-helixtrans-74.2-30.9-178.7-155.3170.3-152.600111.9
671T34.7Very low29.4Very low95 Ų95129.1 Ų129.158%0.58366%0.656SS**Hα-helixtrans-70.5-31171.8-1.60000112.7
672R32.1Very low29.3Very low199 Ų199130 Ų13075%0.75166%0.662SS**Hα-helixtrans-83.3-22.7-179.3-93.8-178.4158.1-168.3-6.4115C669 K674 S675C669-R672 PolarHBondContact O-N 3.3Å; R672-K674 PolarHBondContact O-N 3.36Å; R672-S675 PolarHBondContact O-N 3.42Å; R672-S675 PolarHBondContact O-OG 3.24Å
673L28.3Very low29.4Very low132 Ų132128.3 Ų128.369%0.69166%0.658SS**G310 helixtrans-72.3-12.2172.2-83165.7000113.5C669 L676C669-L673 PolarHBondContact O-N 2.85Å; L673-L676 HydrophobicContact CD2-CD1 4.44Å
674K30.8Very low29.6Very low191 Ų191133.2 Ų133.283%0.8368%0.676SS**G310 helixtrans-84.4-0.2173.5-72.4-174.51781740114.9R672R672-K674 PolarHBondContact O-N 3.36Å
675S34Very low29.3Very low91 Ų91131.7 Ų131.764%0.63668%0.676SS**G310 helixtrans-115.89.5179.167.20000115.3R672 N677R672-S675 PolarHBondContact O-N 3.42Å; R672-S675 PolarHBondContact O-OG 3.24Å; S675-N677 PolarHBondContact O-N 3.46Å
676L25.2Very low29.2Very low138 Ų138131.9 Ų131.972%0.72368%0.675SS**  trans-86.391.1170.9-88.1157.5000110.1L673 L678L673-L676 HydrophobicContact CD2-CD1 4.44Å; L676-L678 PolarHBondContact O-N 3.11Å; L676-L678 VanDerWaalsContact O-N 3.14Å
677N27.1Very low29.1Very low126 Ų126138.4 Ų138.467%0.67469%0.694SS**  trans-66.3104.9-177-171.3-8.5000111.3S675 N679S675-N677 PolarHBondContact O-N 3.46Å; N677-N679 PolarHBondContact O-N 3.15Å
678L28.5Very low28.9Very low147 Ų147139.5 Ų139.577%0.7770%0.7SS**THydrogen-bonded Turntrans-69-0.3-170.1-155.471.1000114.7L676L676-L678 PolarHBondContact O-N 3.11Å; L676-L678 VanDerWaalsContact O-N 3.14Å
679N31.7Very low28.6Very low122 Ų122140.9 Ų140.965%0.65271%0.708SS**THydrogen-bonded Turntrans-85.7-12-175.9-73-14.4000115.2N677 T683N677-N679 PolarHBondContact O-N 3.15Å; N679-T683 PolarHBondContact O-OG1 3.4Å
680E30.4Very low28.6Very low123 Ų123144 Ų14458%0.57572%0.718SS**SBendtrans-85.8-22.9178-148.9-165.3143.500113.3T682 K684E680-T682 VanDerWaalsContact C-N 3.34Å; E680-T682 PolarHBondContact O-N 3.27Å; E680-K684 IonicContact OE1-NZ 2.82Å; E680-K684 PolarHBondContact OE1-NZ 2.85Å
681F26.1Very low28.7Very low174 Ų174144.9 Ų144.976%0.76373%0.728SS**THydrogen-bonded Turntrans-75.6-23.6-177.9-144.6-91.2000113
682T27.9Very low28.3Very low96 Ų96147.4 Ų147.459%0.58974%0.738SS**THydrogen-bonded Turntrans-85.5-20.5177.919.10000114.1E680E680-T682 VanDerWaalsContact C-N 3.34Å; E680-T682 PolarHBondContact O-N 3.27Å
683T29.7Very low27.9Very low94 Ų94145.6 Ų145.658%0.57774%0.743SS**THydrogen-bonded Turntrans-89.9-22-176.721.70000114.5N679 L685N679-T683 PolarHBondContact O-OG1 3.4Å; T683-L685 VanDerWaalsContact C-N 3.33Å; T683-L685 PolarHBondContact O-N 3.3Å
684K31.2Very low27.9Very low160 Ų160143.9 Ų143.970%0.69675%0.748SS**THydrogen-bonded Turntrans-80-6.9175.2-88.7169179.4150.70115.1E680E680-K684 IonicContact OE1-NZ 2.82Å; E680-K684 PolarHBondContact OE1-NZ 2.85Å
685L25.5Very low27.6Very low149 Ų149144.9 Ų144.978%0.7875%0.752SS**THydrogen-bonded Turntrans-93.70.7173.6-109.1130.4000114.4T683T683-L685 VanDerWaalsContact C-N 3.33Å; T683-L685 PolarHBondContact O-N 3.3Å
686I26.9Very low27.2Very low141 Ų141145 Ų14572%0.72375%0.753SS**SBendtrans-110.51.3-179.4-62.5179.9000112.6
687R25Very low27.3Very low222 Ų222146 Ų14684%0.83876%0.759SS**SBendtrans-124.982.8171.2-82-174.1177.3154-0112.2
688N26.5Very low27.4Very low163 Ų163146.7 Ų146.787%0.87276%0.763SS**  trans-169.646.6140.7-97.6-5.1000111.9
689N24.6Very low27.2Very low161 Ų161144.2 Ų144.286%0.86176%0.758SS**  trans-92.493.9160-84.8-1.6000108.1
690N27.7Very low27Very low153 Ų153145.9 Ų145.982%0.81877%0.766SS**  trans-178.683.6157-94.8-13.7000108.9
691N29Very low26.9Very low166 Ų166145.6 Ų145.689%0.88877%0.767SS**  trans-172.6143136.7-91.7-21.9000108.9
692N25.7Very low27Very low147 Ų147143.1 Ų143.179%0.78676%0.76SS**  trans-84.6173.6-171.3-66.3-40.9000112.7
693D25.2Very low27.3Very low161 Ų161140.3 Ų140.386%0.86174%0.744SS**  trans91.5141158.2-54.5-38.4000119.8
694A26.6Very low27.7Very low96 Ų96140.9 Ų140.979%0.79374%0.743SS**  trans66.585.3167.800000119.2S696A694-S696 PolarHBondContact O-N 3.26Å
695K25Very low28.4Very low213 Ų213138.3 Ų138.393%0.92673%0.734SS**  trans-15.3115.1148.7-67.2174.4172.8179.60115.8
696S26.6Very low29.5Very low93 Ų93133.6 Ų133.665%0.6571%0.711SS**  trans-157.5107.2139.350.10000110.8A694 N698A694-S696 PolarHBondContact O-N 3.26Å; S696-N698 PolarHBondContact O-N 2.99Å
697D26.8Very low31Very low159 Ų159129.1 Ų129.185%0.8569%0.686SS**  trans-72.175.4175.4-74.9-57.8000111.2S699D697-S699 PolarHBondContact O-N 2.89Å
698N28.6Very low32.8Very low141 Ų141120.4 Ų120.475%0.75466%0.655SS**  trans-75.456.6168.5-84.7-21.7000111.1S696 L700S696-N698 PolarHBondContact O-N 2.99Å; N698-L700 PolarHBondContact O-N 3.24Å; N698-L700 VanDerWaalsContact O-N 3.15Å
699S25.2Very low35.3Very low94 Ų94113.1 Ų113.166%0.65762%0.616SS**  trans-61.6114.116560.10000108.7D697 I701D697-S699 PolarHBondContact O-N 2.89Å; S699-I701 PolarHBondContact O-N 3.02Å
700L27.2Very low37.7Very low158 Ų158109.5 Ų109.583%0.82759%0.59SS**  trans-65.6105.2-175-126.982.4000109.9N698 I702N698-L700 PolarHBondContact O-N 3.24Å; N698-L700 VanDerWaalsContact O-N 3.15Å; L700-I702 PolarHBondContact O-N 3.24Å
701I28.4Very low40.3Very low116 Ų116102.3 Ų102.360%0.59555%0.552SS**  trans-75.6111.7176.7-59173.8000108.7S699 P703 L722S699-I701 PolarHBondContact O-N 3.02Å; I701-P703 WeakPolarHBondContact O-CD 3.22Å; I701-L722 HydrophobicContact CG2-CD1 4.11Å; I701-L722 HydrophobicContact CG2-CG 4.36Å
702I28.5Very low42.7Very low122 Ų12298.9 Ų98.963%0.62654%0.537SS*.  trans-93.8111.6177-54.8174.6000108.7L700L700-I702 PolarHBondContact O-N 3.24Å
703P33Very low45.1Very low37 Ų3796 Ų9624%0.2452%0.522CS..  trans-76.4125.2169.830.1-31.7000109.9I701 H705 V706I701-P703 WeakPolarHBondContact O-CD 3.22Å; P703-H705 VanDerWaalsContact C-N 3.26Å; P703-H705 PolarHBondContact O-N 3.31Å; P703-V706 HydrophobicContact CG-CG2 4.07Å
704D38.3Very low47.5Very low106 Ų10693.1 Ų93.157%0.56751%0.506SS*.SBendtrans-58.4-34.5-172.7-70.6-58.9000113.9
705H45.5Very low50.1Low106 Ų10689.5 Ų89.549%0.49147%0.473SS..  trans-143.7131.9-175.5-59.2-52.5000111.8P703 F707 G720P703-H705 VanDerWaalsContact C-N 3.26Å; P703-H705 PolarHBondContact O-N 3.31Å; H705-F707 HydrophobicContact CB-CE2 4.22Å; H705-G720 WeakPolarHBondContact O-CA 3.25Å
706V49Very low52.8Low50 Ų5080.1 Ų80.130%0.30343%0.433SS..EExtended strand (participates in β ladder)trans-124.7133.5177.4-177.40000110.1A626 P703 Y718 V719A626-V706 HydrophobicContact CB-CB 4.43Å; A626-V706 HydrophobicContact CB-CG1 4.43Å; A626-V706 WeakPolarHBondContact CB-O 3.49Å; A626-V706 PolarHBondContact N-O 2.81Å; P703-V706 HydrophobicContact CG-CG2 4.07Å; V706-Y718 HydrophobicContact CG1-CD1 4.42Å; V706-V719 CarbonylContact C-O 3.47Å; V706-V719 VanDerWaalsContact CA-O 3.28Å; V706-V719 WeakPolarHBondContact CA-O 3.38Å
707F58.3Low55.3Low47 Ų4776.2 Ų76.221%0.20640%0.404CS..EExtended strand (participates in β ladder)trans-114.1146176.4-65.9-93.2000110.5L623 E624 P625 H705 Y718 V719 A838L623-F707 HydrophobicContact CD1-CB 4.17Å; E624-F707 CarbonylContact O-C 3.5Å; E624-F707 WeakPolarHBondContact O-CA 3.47Å; P625-F707 HydrophobicContact CB-CD1 4.4Å; P625-F707 HydrophobicContact CB-CE1 4.25Å; P625-F707 HydrophobicContact CG-CE1 4.2Å; H705-F707 HydrophobicContact CB-CE2 4.22Å; F707-Y718 CarbonylContact O-C 3.57Å; F707-Y718 WeakPolarHBondContact O-CA 2.95Å; F707-V719 HydrophobicContact CB-CG2 3.95Å; F707-V719 PolarHBondContact N-O 3.38Å; F707-V719 PolarHBondContact O-N 2.78Å; F707-A838 HydrophobicContact CD1-CB 4.22Å; F707-A838 HydrophobicContact CD2-CB 4.22Å; F707-A838 HydrophobicContact CE1-CB 3.79Å; F707-A838 HydrophobicContact CE2-CB 3.8Å; F707-A838 HydrophobicContact CG-CB 4.44Å; F707-A838 HydrophobicContact CZ-CB 3.59Å
708E64.2Low57.5Low40 Ų4071 Ų7119%0.18737%0.373CS..EExtended strand (participates in β ladder)trans-96.6119.8171.7-71.7179-146.800109.6L623 E624 A626 I716 Y717 Y718L623-E708 WeakPolarHBondContact CA-O 3.18Å; E624-E708 PolarHBondContact N-O 2.91Å; E624-E708 PolarHBondContact O-N 2.85Å; A626-E708 HydrophobicContact CB-CG 4.18Å; E708-I716 HydrophobicContact CB-CG2 4.11Å; E708-I716 HydrophobicContact CG-CG2 4.11Å; E708-Y717 CarbonylContact C-O 3.58Å; E708-Y717 WeakPolarHBondContact CA-O 3.36Å; E708-Y718 HydrophobicContact CG-CD1 3.65Å; E708-Y718 HydrophobicContact CG-CE1 3.55Å
709L78.6Confident59.5Low10 Ų1064.9 Ų64.95%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-98.2119.2159.7-49.9103.9000108.4I600 I620 L623 I716 Y717 V719I600-L709 HydrophobicContact CD1-CD2 4.21Å; I620-L709 HydrophobicContact CD1-CD2 3.91Å; I620-L709 HydrophobicContact CG2-CB 4.36Å; I620-L709 HydrophobicContact CG2-CD2 4.31Å; L623-L709 HydrophobicContact CD1-CD2 3.99Å; L623-L709 HydrophobicContact CD1-CG 3.75Å; L709-I716 CarbonylContact O-C 3.51Å; L709-I716 WeakPolarHBondContact O-CA 3.24Å; L709-Y717 PolarHBondContact N-O 2.88Å; L709-Y717 PolarHBondContact O-N 3.13Å; L709-V719 HydrophobicContact CD1-CB 4.18Å; L709-V719 HydrophobicContact CD1-CG1 3.48Å; L709-V719 VanDerWaalsContact CD1-CG1 3.48Å; L709-V719 HydrophobicContact CD1-CG2 3.55Å
710R74.7Confident61Low84 Ų8460.6 Ų60.632%0.31731%0.311SS..EExtended strand (participates in β ladder)trans-97.5116.6176.5-171.6178.1-61.7-104.2-5109.6I621 C622 I716I621-R710 PolarHBondContact N-O 2.93Å; C622-R710 PolarHBondContact O-N 2.69Å; C622-R710 VanDerWaalsContact SG-CB 3.58Å; R710-I716 HydrophobicContact CG-CG1 4.3Å
711C81.9Confident62Low3 Ų356.4 Ų56.42%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-91.1163178.9-64.90000112.6D619 D713 D714 L715D619-C711 CarbonylContact O-C 3.55Å; D619-C711 WeakPolarHBondContact O-CA 3.29Å; C711-D713 WeakPolarHBondContact CB-OD1 3.33Å; C711-D713 PolarHBondContact O-N 3.27Å; C711-D714 PolarHBondContact O-N 2.98Å; C711-L715 WeakPolarHBondContact CB-O 3.32Å; C711-L715 PolarHBondContact N-O 2.96Å
712V79.2Confident62.5Low94 Ų9455.1 Ų55.157%0.5728%0.282SS*.THydrogen-bonded Turntrans-62.6-20.5178.8174.10000113.6D619 I621 D714D619-V712 WeakPolarHBondContact O-CG2 3.43Å; D619-V712 PolarHBondContact O-N 3.26Å; I621-V712 HydrophobicContact CD1-CB 4.38Å; I621-V712 HydrophobicContact CD1-CG2 3.9Å; I621-V712 HydrophobicContact CG1-CG2 3.6Å; V712-D714 VanDerWaalsContact C-N 3.32Å; V712-D714 PolarHBondContact O-N 3.02Å
713D77Confident62.6Low86 Ų8651.3 Ų51.346%0.4627%0.272SS..THydrogen-bonded Turntrans-92.820.9178.268.3-25.1000114.1K584 C711 L715K584-D713 PolarHBondContact NZ-O 3.24Å; C711-D713 WeakPolarHBondContact CB-OD1 3.33Å; C711-D713 PolarHBondContact O-N 3.27Å; D713-L715 PolarHBondContact O-N 3.1Å; D713-L715 WeakPolarHBondContact OD1-CB 3.45Å; D713-L715 PolarHBondContact OD1-N 2.73Å
714D75.5Confident62.2Low100 Ų10060.6 Ų60.654%0.53530%0.304SS..SBendtrans54.317.2-173-64.9-52.8000114.2N583 C711 V712N583-D714 PolarHBondContact ND2-O 3.39Å; C711-D714 PolarHBondContact O-N 2.98Å; V712-D714 VanDerWaalsContact C-N 3.32Å; V712-D714 PolarHBondContact O-N 3.02Å
715L81.1Confident61.6Low20 Ų2064.2 Ų64.211%0.10532%0.32CS..  trans-82.6124171.8-164.866000108.8T582 K584 C711 D713 Y717T582-L715 HydrophobicContact CG2-CD1 4.34Å; T582-L715 HydrophobicContact CG2-CG 4.39Å; K584-L715 HydrophobicContact CB-CD1 4.01Å; K584-L715 HydrophobicContact CD-CD1 3.71Å; K584-L715 HydrophobicContact CG-CD1 3.83Å; C711-L715 WeakPolarHBondContact CB-O 3.32Å; C711-L715 PolarHBondContact N-O 2.96Å; D713-L715 PolarHBondContact O-N 3.1Å; D713-L715 WeakPolarHBondContact OD1-CB 3.45Å; D713-L715 PolarHBondContact OD1-N 2.73Å; L715-Y717 HydrophobicContact CB-CE2 4.49Å; L715-Y717 HydrophobicContact CD2-CE2 3.53Å; L715-Y717 WeakPolarHBondContact CD2-OH 3.38Å; L715-Y717 HydrophobicContact CG-CD2 4.41Å; L715-Y717 HydrophobicContact CG-CE2 3.82Å
716I80.3Confident60.7Low17 Ų1767.7 Ų67.79%0.08734%0.336CS..EExtended strand (participates in β ladder)trans-109.3121.2179.7-56.9174.4000108.1T582 N583 E708 L709 R710 Y718T582-I716 CarbonylContact C-O 3.55Å; T582-I716 WeakPolarHBondContact CA-O 3.44Å; T582-I716 WeakPolarHBondContact CB-O 3.45Å; N583-I716 HydrophobicContact CB-CB 4.17Å; N583-I716 PolarHBondContact N-O 3.47Å; N583-I716 PolarHBondContact OD1-N 2.99Å; E708-I716 HydrophobicContact CB-CG2 4.11Å; E708-I716 HydrophobicContact CG-CG2 4.11Å; L709-I716 CarbonylContact O-C 3.51Å; L709-I716 WeakPolarHBondContact O-CA 3.24Å; R710-I716 HydrophobicContact CG-CG1 4.3Å; I716-Y718 HydrophobicContact CB-CE2 4.44Å; I716-Y718 HydrophobicContact CG2-CE1 4.42Å; I716-Y718 HydrophobicContact CG2-CE2 4.06Å
717Y79.9Confident59.6Low10 Ų1070.9 Ų70.94%0.03936%0.361CS..EExtended strand (participates in β ladder)trans-96.1118.9174.9-76.1-95.6000110.2H580 T582 M602 L615 E708 L709 L715H580-Y717 AromaticContact CD2-CD1 3.71Å; H580-Y717 AromaticContact CD2-CE1 3.82Å; T582-Y717 HydrophobicContact CG2-CD1 3.66Å; T582-Y717 HydrophobicContact CG2-CD2 4.46Å; T582-Y717 HydrophobicContact CG2-CE1 3.52Å; T582-Y717 HydrophobicContact CG2-CE2 4.37Å; T582-Y717 HydrophobicContact CG2-CG 4.11Å; M602-Y717 HydrophobicContact CE-CE1 4.01Å; L615-Y717 HydrophobicContact CD1-CD1 4.29Å; L615-Y717 HydrophobicContact CD1-CD2 3.87Å; L615-Y717 HydrophobicContact CD1-CE1 4.22Å; L615-Y717 HydrophobicContact CD1-CE2 3.75Å; L615-Y717 HydrophobicContact CD1-CG 4.15Å; L615-Y717 HydrophobicContact CD2-CD2 4.47Å; L615-Y717 HydrophobicContact CD2-CE2 3.63Å; L615-Y717 HydrophobicContact CG-CE2 4.33Å; E708-Y717 CarbonylContact C-O 3.58Å; E708-Y717 WeakPolarHBondContact CA-O 3.36Å; L709-Y717 PolarHBondContact N-O 2.88Å; L709-Y717 PolarHBondContact O-N 3.13Å; L715-Y717 HydrophobicContact CB-CE2 4.49Å; L715-Y717 HydrophobicContact CD2-CE2 3.53Å; L715-Y717 WeakPolarHBondContact CD2-OH 3.38Å; L715-Y717 HydrophobicContact CG-CD2 4.41Å; L715-Y717 HydrophobicContact CG-CE2 3.82Å
718Y73.9Confident58Low51 Ų5176.7 Ų76.720%0.239%0.393CS..EExtended strand (participates in β ladder)trans-93.5110.6171.6-60.5-88.8000108.3H580 R581 N583 V706 F707 E708 I716H580-Y718 CarbonylContact C-O 3.56Å; H580-Y718 WeakPolarHBondContact CA-O 3.35Å; R581-Y718 HydrophobicContact CG-CD2 4.21Å; R581-Y718 HydrophobicContact CG-CG 4.44Å; R581-Y718 PolarHBondContact N-O 3.09Å; R581-Y718 PolarHBondContact O-N 3.46Å; N583-Y718 HydrophobicContact CB-CE2 4.29Å; V706-Y718 HydrophobicContact CG1-CD1 4.42Å; F707-Y718 CarbonylContact O-C 3.57Å; F707-Y718 WeakPolarHBondContact O-CA 2.95Å; E708-Y718 HydrophobicContact CG-CD1 3.65Å; E708-Y718 HydrophobicContact CG-CE1 3.55Å; I716-Y718 HydrophobicContact CB-CE2 4.44Å; I716-Y718 HydrophobicContact CG2-CE1 4.42Å; I716-Y718 HydrophobicContact CG2-CE2 4.06Å
719V70.9Confident56.3Low12 Ų1281.6 Ų81.67%0.07342%0.42CS..EExtended strand (participates in β ladder)trans-120.8142.3-171.6-60.10000113.6M578 V579 H580 V706 F707 L709M578-V719 HydrophobicContact CE-CB 3.99Å; M578-V719 HydrophobicContact CE-CG2 4.1Å; M578-V719 HydrophobicContact CG-CB 4.31Å; M578-V719 HydrophobicContact SD-CB 3.62Å; M578-V719 HydrophobicContact SD-CG1 3.92Å; M578-V719 HydrophobicContact SD-CG2 4.19Å; V579-V719 WeakPolarHBondContact O-CA 3.44Å; H580-V719 HydrophobicContact CB-CG1 3.84Å; V706-V719 CarbonylContact C-O 3.47Å; V706-V719 VanDerWaalsContact CA-O 3.28Å; V706-V719 WeakPolarHBondContact CA-O 3.38Å; F707-V719 HydrophobicContact CB-CG2 3.95Å; F707-V719 PolarHBondContact N-O 3.38Å; F707-V719 PolarHBondContact O-N 2.78Å; L709-V719 HydrophobicContact CD1-CB 4.18Å; L709-V719 HydrophobicContact CD1-CG1 3.48Å; L709-V719 VanDerWaalsContact CD1-CG1 3.48Å; L709-V719 HydrophobicContact CD1-CG2 3.55Å
720G56.3Low53.9Low4 Ų489 Ų894%0.04146%0.46CS..EExtended strand (participates in β ladder)trans-152.2166.9179.100000114V579 H705V579-G720 VanDerWaalsContact CG2-O 3.27Å; V579-G720 WeakPolarHBondContact CG2-O 3.5Å; V579-G720 PolarHBondContact N-O 3.5Å; V579-G720 PolarHBondContact O-N 2.79Å; H705-G720 WeakPolarHBondContact O-CA 3.25Å
721Q47.6Very low51.6Low70 Ų7093.4 Ų93.433%0.32748%0.484SS..  trans-104.3138174.4-175.3170.6-25.400109.7
722L38.5Very low49Very low89 Ų89100.3 Ų100.347%0.46652%0.521SS..  trans-76133.8176.1-133.486.6000110.1V579 I701V579-L722 HydrophobicContact CG1-CD1 3.75Å; V579-L722 HydrophobicContact CG2-CD1 4.21Å; I701-L722 HydrophobicContact CG2-CD1 4.11Å; I701-L722 HydrophobicContact CG2-CG 4.36Å
723G31.4Very low46.5Very low42 Ų42102.3 Ų102.343%0.43353%0.528SS..  trans-68.2149.7171.600000112.1M725G723-M725 PolarHBondContact O-N 3.11Å
724Y24.8Very low44.2Very low231 Ų231105.2 Ų105.291%0.90655%0.55SS*.  trans-74.6114.8177.7-83.2-97.3000111.1
725M25.2Very low41.8Very low183 Ų183104.4 Ų104.490%0.90155%0.552SS**  trans-138.6156152.8-153.1145.37000109.4G723G723-M725 PolarHBondContact O-N 3.11Å
726E25.9Very low39.1Very low179 Ų179111.1 Ų111.184%0.83659%0.587SS**  trans-80.3166.9-143.6-63.4172.5135.800115.8L728E726-L728 PolarHBondContact O-N 3.43Å
727S27.1Very low36.4Very low116 Ų116118 Ų11881%0.81162%0.623SS**  trans-70.292.2172.856.40000111.1D729S727-D729 VanDerWaalsContact C-N 3.28Å; S727-D729 PolarHBondContact O-N 2.92Å
728L23.7Very low33.7Very low170 Ų170122.4 Ų122.489%0.8966%0.655SS**  trans-6988.8156.2-78.7162.4000108.8E726E726-L728 PolarHBondContact O-N 3.43Å
729D28.3Very low31.4Very low142 Ų142129 Ų12976%0.75969%0.685SS**  trans-161.387.4159.9-95.1-31.4000108.6S727S727-D729 VanDerWaalsContact C-N 3.28Å; S727-D729 PolarHBondContact O-N 2.92Å
730N28.3Very low29.1Very low165 Ų165136.7 Ų136.788%0.88273%0.725SS**  trans148.297149.6-75.1-30.9000110.7
731E27.5Very low27.4Very low177 Ų177144.5 Ų144.583%0.82776%0.76SS**  trans-69156.5164.6-63.3-174140.700111.1
732N27.8Very low26.3Very low148 Ų148146.7 Ų146.779%0.79178%0.783SS**  trans71.680.5168.9-52.2-43.5000118.1
733D26.4Very low25.5Very low136 Ų136151.8 Ų151.873%0.72780%0.796SS**  trans-150.278.9145.2-146.5-16.6000114
734T27.1Very low25.1Very low147 Ų147162 Ų16290%0.90282%0.822SS**  trans-99.972.1-179.753.80000112.5
735S25.7Very low25Very low84 Ų84159.4 Ų159.459%0.58782%0.815SS**  trans-145.4-7.1173.975.50000118.3L737S735-L737 PolarHBondContact O-N 3.14Å
736L24.9Very low24.9Very low160 Ų160156.5 Ų156.584%0.83881%0.812SS**THydrogen-bonded Turntrans-88.412.4-170.4-89.6167.7000117
737L23.2Very low24.8Very low162 Ų162155.5 Ų155.585%0.84881%0.807SS**THydrogen-bonded Turntrans-88-5.7-174.4-137.883.7000116S735S735-L737 PolarHBondContact O-N 3.14Å
738S24Very low24.6Very low102 Ų102159.9 Ų159.971%0.71381%0.812SS**SBendtrans-99.9-1.2-165.162.20000116.9
739K24.1Very low24.7Very low190 Ų190157.5 Ų157.583%0.82681%0.807SS**SBendtrans-120.86.9-163.3-98.1-179.6178.9174.90119.1
740L23Very low24.5Very low174 Ų174156 Ų15691%0.91180%0.803SS**  trans-119.415.4-177.1-68.7174.4000116.3S742L740-S742 PolarHBondContact O-N 2.85Å; L740-S742 VanDerWaalsContact O-N 3.13Å
741H21.7Very low24.2Very low168 Ų168155 Ų15578%0.77880%0.797SS**  trans-80.277.3164.3-75.4-39.7000112.4E270E270-H741 IonicContact OE1-CE1 2.77Å
742S23.4Very low24Very low116 Ų116149.8 Ų149.881%0.81178%0.779SS**  trans-145.9103.1161.1-159.20000115.1L740L740-S742 PolarHBondContact O-N 2.85Å; L740-S742 VanDerWaalsContact O-N 3.13Å
743R22.7Very low24Very low196 Ų196146.9 Ų146.974%0.7477%0.766SS**  trans-33.9141170.2-55.1164.8179.7-174.10.3116
744R22.2Very low23.8Very low256 Ų256141.6 Ų141.697%0.96674%0.742SS**  trans-129.7137.1131.5-78.6-168.4177.1176.30.3110.7
745K22.4Very low23.7Very low177 Ų177137.3 Ų137.377%0.7772%0.715SS**  trans-91.1148.9179.4-60.2170.2177.9174.30109.5
746S24.5Very low23.7Very low121 Ų121137 Ų13785%0.84671%0.713SS**  trans-134.7142.915258.60000110
747H22.8Very low23.7Very low158 Ų158136.9 Ų136.973%0.73170%0.702SS**  trans-92.6141178.9-72.2-105.5000109.7
748F24Very low23.7Very low209 Ų209135.1 Ų135.192%0.91770%0.698SS**  trans-178.5149.5131.5-100.5-75.9000108.3
749P24.3Very low23.7Very low119 Ų119141 Ų14177%0.77370%0.704SS**  trans-91.6164.5-165.933.5-26.9000114.6
750T25.3Very low23.7Very low110 Ų110139.4 Ų139.468%0.67570%0.697SS**  trans-84.3146.9-167.844.40000115.1
751L22.3Very low23.7Very low145 Ų145136.3 Ų136.376%0.75970%0.697SS**  trans-104.6157.5178.7-103.7151.3000113.3T753L751-T753 PolarHBondContact O-OG1 2.96Å
752P23.2Very low23.9Very low68 Ų68133.1 Ų133.144%0.44269%0.693SS.*  trans-25.7162.4169.144.2-25.4000120.3K860 S861P752-K860 CarbonylContact C-O 3.59Å; P752-S861 CarbonylContact C-O 3.51Å; P752-S861 VanDerWaalsContact CA-O 3.25Å; P752-S861 WeakPolarHBondContact CA-O 3.34Å; P752-S861 WeakPolarHBondContact CB-O 3.14Å
753T26.4Very low24Very low87 Ų87132 Ų13253%0.53469%0.691SS.*  -174.65.8-113.782.50000116.4L751 K860 S861L751-T753 PolarHBondContact O-OG1 2.96Å; T753-K860 VanDerWaalsContact C-CE 3.47Å; T753-K860 HydrophobicContact CG2-CB 3.57Å; T753-K860 HydrophobicContact CG2-CD 3.5Å; T753-K860 HydrophobicContact CG2-CG 3.68Å; T753-K860 PolarHBondContact N-O 3.45Å; T753-K860 WeakPolarHBondContact O-CE 3.49Å; T753-K860 PolarHBondContact O-NZ 2.65Å; T753-S861 PolarHBondContact N-O 3.4Å
754A23.5Very low24.2Very low25 Ų25127.2 Ų127.221%0.20769%0.686CS.*  trans-70.6123.1-179.200000124.8K860 S861A754-K860 HydrophobicContact CB-CB 4.27Å; A754-K860 VanDerWaalsContact O-CB 3.24Å; A754-K860 WeakPolarHBondContact O-CB 3.3Å; A754-K860 WeakPolarHBondContact O-CE 3.14Å; A754-K860 WeakPolarHBondContact O-CG 3.39Å; A754-S861 VanDerWaalsContact CB-CB 3.47Å; A754-S861 VanDerWaalsContact CB-N 3.28Å; A754-S861 WeakPolarHBondContact CB-OG 3.11Å
755V23.6Very low24.2Very low57 Ų57121 Ų12135%0.34567%0.671SS.*  36.699.4121.2-167.70000121.7Y17 K1046Y17-V755 VanDerWaalsContact OH-CG1 3.3Å; Y17-V755 WeakPolarHBondContact OH-CG1 3.48Å; V755-K1046 PolarHBondContact O-NZ 3.05Å
756S25.9Very low24.6Very low77 Ų77122.7 Ų122.754%0.53867%0.674SS.*  55.7124.8121.7-162.10000122.7
757Y25.1Very low24.8Very low158 Ų158119.2 Ų119.262%0.6266%0.657SS**  trans-152.586.9143.3-93.3-69.9000110.9K1046Y757-K1046 HydrophobicContact CE2-CD 4.39Å
758V24.5Very low25Very low124 Ų124117.4 Ų117.475%0.75265%0.653SS**  trans-135.796.4160.2-179.80000108.6
759R22.8Very low25.4Very low226 Ų226111.7 Ų111.785%0.85363%0.634SS**  trans-177.799.4159.8-105.8179.9-161.2-179.98.8109.1
760K24.2Very low25.8Very low156 Ų156112.9 Ų112.968%0.67863%0.625SS**  trans171.650149.6-95.8178-175.2-1750109.8S762K760-S762 VanDerWaalsContact C-N 3.27Å; K760-S762 PolarHBondContact O-N 2.85Å
761A23.1Very low26.2Very low109 Ų109113 Ų11390%0.90162%0.62SS**  trans-91.275156.400000106.4
762S25Very low26.9Very low101 Ų101110.3 Ų110.371%0.70661%0.612SS**  trans-84.2111.2174.5-65.30000107.2K760 P764K760-S762 VanDerWaalsContact C-N 3.27Å; K760-S762 PolarHBondContact O-N 2.85Å; S762-P764 WeakPolarHBondContact O-CD 3.25Å
763A25.5Very low27.6Very low93 Ų93114 Ų11477%0.76962%0.623SS**  trans-57.3124.8175.200000109.4L765A763-L765 PolarHBondContact O-N 3.47Å
764P27.7Very low28.1Very low95 Ų95115 Ų11562%0.61763%0.631SS**  trans-66.8125-175.823.8-32.5000111.2S762 Y766S762-P764 WeakPolarHBondContact O-CD 3.25Å; P764-Y766 HydrophobicContact CB-CD2 4.42Å; P764-Y766 HydrophobicContact CB-CE2 4.01Å; P764-Y766 HydrophobicContact CG-CD2 4.39Å; P764-Y766 HydrophobicContact CG-CE2 3.74Å; P764-Y766 WeakPolarHBondContact O-CD2 3.38Å; P764-Y766 PolarHBondContact O-N 3.22Å
765L23.3Very low28.7Very low126 Ų126119.3 Ų119.366%0.6666%0.657SS**  trans-8097.2179.9-161.799.4000109.5A763 G767 A824A763-L765 PolarHBondContact O-N 3.47Å; L765-G767 VanDerWaalsContact C-N 3.32Å; L765-G767 PolarHBondContact O-N 3.26Å; L765-A824 HydrophobicContact CD1-CB 4.28Å
766Y29.1Very low29.5Very low212 Ų212122.6 Ų122.683%0.83168%0.68SS**  trans-79.376.4-179.4-78.5-81.3000112.7P764P764-Y766 HydrophobicContact CB-CD2 4.42Å; P764-Y766 HydrophobicContact CB-CE2 4.01Å; P764-Y766 HydrophobicContact CG-CD2 4.39Å; P764-Y766 HydrophobicContact CG-CE2 3.74Å; P764-Y766 WeakPolarHBondContact O-CD2 3.38Å; P764-Y766 PolarHBondContact O-N 3.22Å
767G29.9Very low30.1Very low48 Ų48127.8 Ų127.850%0.49570%0.695SS.*  trans80.4160.9164.700000116.3L765L765-G767 VanDerWaalsContact C-N 3.32Å; L765-G767 PolarHBondContact O-N 3.26Å
768L26.8Very low30.5Very low121 Ų121125.5 Ų125.563%0.63470%0.7SS**PPolyproline II helixtrans-103.9125.3171.7-68170.3000108.4
769V31.1Very low31.1Very low88 Ų88125 Ų12553%0.53370%0.699SS.*BIsolated β-bridgetrans-94.2119.8174.1-1790000108.4L771V769-L771 HydrophobicContact CG1-CD2 4.28Å; V769-L771 HydrophobicContact CG1-CG 4.42Å
770Y34.3Very low31.4Very low145 Ų145123.2 Ų123.257%0.56971%0.706SS**PPolyproline II helixtrans-79.8120.7171.2178.7-108.8000109.3P772 Y822Y770-P772 HydrophobicContact CE1-CB 3.99Å; Y770-Y822 HydrophobicContact CD2-CD1 4.47Å; Y770-Y822 AromaticContact CD2-CE1 3.68Å; Y770-Y822 HydrophobicContact CD2-CE1 3.68Å; Y770-Y822 AromaticContact CD2-CZ 3.85Å
771L33.8Very low31.8Very low111 Ų111120.5 Ų120.558%0.58171%0.706SS**  trans-109.3107.3172.5-67.5173000107.4V769 E773V769-L771 HydrophobicContact CG1-CD2 4.28Å; V769-L771 HydrophobicContact CG1-CG 4.42Å; L771-E773 PolarHBondContact O-N 2.86Å
772P36.2Very low32Very low90 Ų90120.9 Ų120.958%0.58470%0.702SS**PPolyproline II helixtrans-64133174.526.2-32.4000109.4Y770Y770-P772 HydrophobicContact CE1-CB 3.99Å
773E37.5Very low32.3Very low144 Ų144121.8 Ų121.867%0.67371%0.708SS**PPolyproline II helixtrans-64.1134.2179.4-144.4169.4-161.100109.7L771L771-E773 PolarHBondContact O-N 2.86Å
774P37Very low32.4Very low110 Ų110124.7 Ų124.771%0.71471%0.71SS**PPolyproline II helixtrans-61.9134.9-179.725-33.7000109.6
775P37.3Very low32.5Very low115 Ų115129.6 Ų129.675%0.74772%0.722SS**PPolyproline II helixtrans-58.2138.3-174.522.8-33.3000110.6Q777P775-Q777 PolarHBondContact O-N 2.79Å
776P39Very low32.6Very low126 Ų126129.3 Ų129.382%0.81873%0.726SS**PPolyproline II helixtrans-58.2126-17221.9-33.1000110.6
777Q38Very low32.5Very low186 Ų186123.9 Ų123.987%0.86972%0.719SS**PPolyproline II helixtrans-60122.5175.5-67.6-173.1-13.300108.4P775P775-Q777 PolarHBondContact O-N 2.79Å
778P34.4Very low32.4Very low109 Ų109128.1 Ų128.171%0.70873%0.73SS**PPolyproline II helixtrans-63.3141.4-176.925.4-33.5000109.8L780P778-L780 PolarHBondContact O-N 2.88Å
779P38.1Very low32.3Very low114 Ų114129.1 Ų129.174%0.7474%0.735SS**PPolyproline II helixtrans-59.9133.6-175.424-33.6000110.9S781P779-S781 VanDerWaalsContact C-N 3.25Å; P779-S781 PolarHBondContact O-N 3.16Å
780L28.6Very low32Very low189 Ų189134.5 Ų134.599%0.9975%0.751SS**  trans-66.581.8175.2-76.3159.5000110.4P778P778-L780 PolarHBondContact O-N 2.88Å
781S32.8Very low31.5Very low98 Ų98132.5 Ų132.569%0.68576%0.758SS**  trans-129.7124.7167.958.20000109.9P779P779-S781 VanDerWaalsContact C-N 3.25Å; P779-S781 PolarHBondContact O-N 3.16Å
782S27.6Very low31.2Very low117 Ų117131.8 Ų131.882%0.81876%0.762SS**  trans-67.3124.4-175.749.80000113.8
783S29.9Very low30.9Very low120 Ų120134.3 Ų134.384%0.83977%0.771SS**  trans170.7165.6133.944.20000111.5
784L28.6Very low30.1Very low154 Ų154136.6 Ų136.681%0.80678%0.779SS**  trans-83.8159.1-169.4-56.9102.9000113.7
785F29.1Very low29.5Very low199 Ų199138.4 Ų138.487%0.87378%0.782SS**  trans154.1178.5135.2-85.3-69.9000112.7
786T26.4Very low28.8Very low119 Ų119142.3 Ų142.373%0.7379%0.787SS**  trans-127.4152.6-136.949.60000118.3
787S26Very low28Very low99 Ų99142.2 Ų142.269%0.69278%0.784SS**  trans87144.4142.676.50000124
788N27.7Very low27.4Very low136 Ų136141.1 Ų141.173%0.72778%0.784SS**  trans88.396.3149.2-64.1-22.2000124.5
789I24.4Very low26.8Very low142 Ų142143 Ų14373%0.72879%0.788SS**  43.7120.5110.3-58.2164.1000119.7
790K26.2Very low26.1Very low201 Ų201142.8 Ų142.887%0.87479%0.789SS**  173.6166.3102.8-128.6150.5-168.4178.80115
791S23.7Very low26Very low103 Ų103142.8 Ų142.872%0.7278%0.784SS**  trans-92.5166.1-176.449.40000115.1
792S26.2Very low25.5Very low96 Ų96143.4 Ų143.467%0.67179%0.788SS**  165.9154.1125.4550000117.1
793N29.6Very low25.4Very low143 Ų143146.1 Ų146.177%0.76579%0.791SS**  trans67.9130.8153.1-53.9-22.6000120.4
794F20.8Very low25.1Very low192 Ų192149.5 Ų149.584%0.84279%0.791SS**  cis66.4112.239.6-87.1-81.9000116.3
795L24.9Very low24.8Very low149 Ų149147.8 Ų147.878%0.7879%0.789SS**  172.7139.1113.3-95.4160.9000116.4
796K23.5Very low24.6Very low196 Ų196147.3 Ų147.385%0.85279%0.79SS**  trans31.1131.3148.4-80.7-178.4176-177.10124.2
797V22Very low24.4Very low124 Ų124148.3 Ų148.375%0.75280%0.795SS**  trans-78148.7152.8174.20000110.4
798D25.2Very low24.3Very low163 Ų163149.9 Ų149.987%0.87280%0.801SS**  trans-139.3156.6159.3-153.2-11.9000110.7
799L21.8Very low24.1Very low150 Ų150146.8 Ų146.879%0.78580%0.801SS**  trans-141.598.1-153.1-151.3136.7000112
800S23.2Very low24.1Very low109 Ų109147.6 Ų147.676%0.76281%0.807SS**  trans-159.7163.4165.463.80000113.7
801Q27.3Very low24Very low189 Ų189144 Ų14488%0.88381%0.806SS**  trans84.697.6174.8-52.9-164.39.900117.8
802S22Very low23.9Very low110 Ų110146.9 Ų146.977%0.76981%0.812SS**  trans-78.1148.6161.347.50000112.1
803I25.4Very low23.8Very low174 Ų174149.6 Ų149.689%0.89281%0.814SS**  trans-167.7159137.8-99.3152.6000109.6
804K23.7Very low23.6Very low191 Ų191152.3 Ų152.383%0.8382%0.822SS**  trans-71.6150.1-159.5-66.1171.1179173.70114.6
805P22.2Very low23.9Very low119 Ų119149.1 Ų149.177%0.77381%0.814SS**  trans-81.5119.2-177.632.2-33.9000112.6
806Q23.8Very low24Very low189 Ų189147.4 Ų147.488%0.88381%0.814SS**  trans-98.5111.8154.9-82.6-169.8-30.900109T808Q806-T808 PolarHBondContact O-N 3.06Å; Q806-T808 VanDerWaalsContact O-N 3.13Å
807V22.9Very low24.2Very low139 Ų139145.7 Ų145.784%0.84281%0.812SS**  trans-79.295.9-178.6-178.90000109.2
808T24.5Very low24.6Very low132 Ų132144.6 Ų144.681%0.8181%0.811SS**  trans-123.2124.8156.948.30000107.7Q806Q806-T808 PolarHBondContact O-N 3.06Å; Q806-T808 VanDerWaalsContact O-N 3.13Å
809G23Very low24.9Very low72 Ų72144.1 Ų144.174%0.74281%0.808SS**  trans-75.7137-171.400000111.7
810N24Very low25.4Very low158 Ų158138 Ų13885%0.84578%0.781SS**  trans-139.9139.9149.3-97.5-34.4000108.4I812N810-I812 PolarHBondContact O-N 3.11Å
811C24.3Very low25.7Very low127 Ų127137 Ų13786%0.85877%0.773SS**PPolyproline II helixtrans-59.2117.2-177.1-65.10000110.7
812I22.1Very low25.8Very low163 Ų163134.6 Ų134.684%0.83676%0.757SS**PPolyproline II helixtrans-79120.5159.6-62.9179.9000106.2N810N810-I812 PolarHBondContact O-N 3.11Å
813Q24.7Very low26.1Very low153 Ų153138 Ų13872%0.71575%0.753SS**PPolyproline II helixtrans-61.8131.8-176.4-67.2164.1-37.400110.5N815Q813-N815 PolarHBondContact O-N 3.15Å
814E24.3Very low26.1Very low199 Ų199132.3 Ų132.393%0.9373%0.732SS**  trans-71.671.2173.4-67.9-177.1144.700110.7S816E814-S816 PolarHBondContact O-N 2.86Å
815N26.7Very low26.1Very low126 Ų126127.4 Ų127.467%0.67473%0.727SS**  trans-79.5104.5172.8-78.3-15.2000110.2Q813Q813-N815 PolarHBondContact O-N 3.15Å
816S28.1Very low26.3Very low113 Ų113128.8 Ų128.879%0.7973%0.726SS**  trans54.566.6153.163.80000116.9E814E814-S816 PolarHBondContact O-N 2.86Å
817I26.3Very low26.3Very low159 Ų159127.7 Ų127.782%0.81573%0.726SS**  trans-88.2112.4144.6-62.1177.8000106.1
818S30.7Very low26.5Very low102 Ų102126.1 Ų126.171%0.71372%0.718SS**  trans-56.3144.6177.850.90000112.2G820S818-G820 PolarHBondContact O-N 3.23Å
819D31.9Very low26.6Very low153 Ų153125.6 Ų125.682%0.81872%0.717SS**  trans-63.239.1-173.4-83-49.3000117C821D819-C821 PolarHBondContact O-N 3.39Å; D819-C821 VanDerWaalsContact O-N 3.08Å
820G31.6Very low26.9Very low22 Ų22128 Ų12823%0.22772%0.719CS.*  trans-61.5110.8174.200000111.8S818 Y822S818-G820 PolarHBondContact O-N 3.23Å; G820-Y822 VanDerWaalsContact O-CD2 3.23Å; G820-Y822 WeakPolarHBondContact O-CD2 3.49Å; G820-Y822 PolarHBondContact O-N 3.33Å
821C31.2Very low27.2Very low86 Ų86125.4 Ų125.458%0.58171%0.711SS**  trans-76.391.7-170.2-155.50000113D819 R823D819-C821 PolarHBondContact O-N 3.39Å; D819-C821 VanDerWaalsContact O-N 3.08Å; C821-R823 PolarHBondContact O-N 3.04Å
822Y29.6Very low27.4Very low140 Ų140122.8 Ų122.855%0.54971%0.705SS.*  trans-67120168.4-63.6-92.2000110.6Y770 G820Y770-Y822 HydrophobicContact CD2-CD1 4.47Å; Y770-Y822 AromaticContact CD2-CE1 3.68Å; Y770-Y822 HydrophobicContact CD2-CE1 3.68Å; Y770-Y822 AromaticContact CD2-CZ 3.85Å; G820-Y822 VanDerWaalsContact O-CD2 3.23Å; G820-Y822 WeakPolarHBondContact O-CD2 3.49Å; G820-Y822 PolarHBondContact O-N 3.33Å
823R26.8Very low27.7Very low181 Ų181119.9 Ų119.968%0.68370%0.696SS**BIsolated β-bridgetrans-111.7131.5174.2-79.5-169.3171.3-139.10112.5C821C821-R823 PolarHBondContact O-N 3.04Å
824A25.3Very low27.6Very low54 Ų54114.6 Ų114.645%0.44668%0.682SS.*  trans-76.4126166.800000110.1L765L765-A824 HydrophobicContact CD1-CB 4.28Å
825A24.3Very low27.8Very low88 Ų88111.4 Ų111.473%0.72767%0.671SS**  trans-85.4115.6174.400000110.4
826I25.8Very low28.2Very low149 Ų149109.2 Ų109.276%0.76466%0.659SS**  trans-107.8105.3171.3-58.2173.2000107.4
827L24.1Very low28.4Very low166 Ų166105.3 Ų105.387%0.86963%0.629SS**PPolyproline II helixtrans-90.1121.7171.3-78.5168.4000109.8
828P26.7Very low28.9Very low106 Ų10699 Ų9969%0.68860%0.601SS**PPolyproline II helixtrans-77.5146.3178.531-34000111.9
829P27.6Very low29.2Very low120 Ų120100 Ų10078%0.77959%0.592SS**PPolyproline II helixtrans-79.7152.8-17631.3-35.4000113.7
830P29.5Very low29.6Very low123 Ų12397.2 Ų97.280%0.79957%0.574SS**PPolyproline II helixtrans-75.7159.2-175.5-15.431.3000115.2
831P29.6Very low29.8Very low104 Ų10499.8 Ų99.868%0.67558%0.582SS**PPolyproline II helixtrans-98.1146.4-160.8-0.221.2000116K839P831-K839 PolarHBondContact O-NZ 2.82Å
832G28.3Very low29.9Very low71 Ų71100.8 Ų100.873%0.73258%0.578SS**  cis139.7-28.1-5.700000115.7
833T27.9Very low30.5Very low103 Ų10397 Ų9763%0.63257%0.57SS**  trans-150.2116.3-176.554.30000112.7
834G23.7Very low31.1Very low42 Ų4291.3 Ų91.343%0.43356%0.562SS.*  trans114.593.3165.800000116.5
835L27.7Very low31.5Very low131 Ų13193.5 Ų93.569%0.68657%0.565SS**  trans-58.7154143.2-89.458.5000108.6
836D36.1Very low31.7Very low80 Ų8098 Ų9843%0.42856%0.563SS.*  cis-141.5146.612.3-100.5-38.5000106.9H840D836-H840 IonicContact OD1-CE1 3.79Å; D836-H840 PolarHBondContact OD1-CE1 2.94Å; D836-H840 IonicContact OD1-ND1 3.21Å; D836-H840 PolarHBondContact OD1-ND1 3.32Å
837L31.9Very low32.2Very low31 Ų3198.2 Ų98.216%0.16256%0.561CS.*SBendcis-163-10.942.8-160.458.2000116R574 H840R574-L837 VanDerWaalsContact CZ-CD2 3.49Å; R574-L837 VanDerWaalsContact NH1-CD1 3.3Å; L837-H840 WeakPolarHBondContact O-CB 3.5Å
838A37.5Very low32.7Very low27 Ų2794.8 Ų94.822%0.22355%0.551CS.*SBendtrans-95.2-18.5177.100000113.3F707 H840 L841 E842F707-A838 HydrophobicContact CD1-CB 4.22Å; F707-A838 HydrophobicContact CD2-CB 4.22Å; F707-A838 HydrophobicContact CE1-CB 3.79Å; F707-A838 HydrophobicContact CE2-CB 3.8Å; F707-A838 HydrophobicContact CG-CB 4.44Å; F707-A838 HydrophobicContact CZ-CB 3.59Å; A838-H840 PolarHBondContact O-N 3.38Å; A838-L841 WeakPolarHBondContact O-CA 3.46Å; A838-L841 WeakPolarHBondContact O-CB 3.3Å; A838-L841 PolarHBondContact O-N 3.46Å; A838-E842 PolarHBondContact O-N 2.98Å
839K35.6Very low32.8Very low123 Ų12396.8 Ų96.854%0.53555%0.552SS.*Hα-helixtrans-61.5-21.9158.6-123.9176.2-175.51790111.5P831 T843P831-K839 PolarHBondContact O-NZ 2.82Å; K839-T843 PolarHBondContact O-N 2.8Å; K839-T843 PolarHBondContact O-OG1 2.94Å; K839-T843 VanDerWaalsContact O-OG1 3.05Å
840H39.8Very low32.6Very low95 Ų9598.2 Ų98.244%0.4455%0.553SS.*Hα-helixtrans-75.3-23167.6-111.4129.5000113.7D836 L837 A838 A844D836-H840 IonicContact OD1-CE1 3.79Å; D836-H840 PolarHBondContact OD1-CE1 2.94Å; D836-H840 IonicContact OD1-ND1 3.21Å; D836-H840 PolarHBondContact OD1-ND1 3.32Å; L837-H840 WeakPolarHBondContact O-CB 3.5Å; A838-H840 PolarHBondContact O-N 3.38Å; H840-A844 VanDerWaalsContact O-CB 3.3Å; H840-A844 WeakPolarHBondContact O-CB 3.06Å; H840-A844 PolarHBondContact O-N 2.82Å
841L37.1Very low32.7Very low75 Ų7596.3 Ų96.339%0.39354%0.54SS..Hα-helixtrans-71.9-40.8169.8-144.683.4000109.9L623 A838 I845L623-L841 HydrophobicContact CD2-CD2 3.7Å; A838-L841 WeakPolarHBondContact O-CA 3.46Å; A838-L841 WeakPolarHBondContact O-CB 3.3Å; A838-L841 PolarHBondContact O-N 3.46Å; L841-I845 PolarHBondContact O-N 3.04Å
842E33.4Very low32.4Very low107 Ų10794.9 Ų94.950%0.553%0.527SS..Hα-helixtrans-75.9-42.9-179-162.7-173.5160.600113.5A838 A844 I845A838-E842 PolarHBondContact O-N 2.98Å; E842-A844 PolarHBondContact O-N 2.99Å; E842-I845 WeakPolarHBondContact O-CB 3.36Å; E842-I845 PolarHBondContact O-N 2.9Å
843T41.9Very low32.3Very low60 Ų6095.3 Ų95.337%0.36852%0.515SS..Hα-helixtrans-66.1-27.5175.6-54.20000111.9K839 I845 R846 Q847K839-T843 PolarHBondContact O-N 2.8Å; K839-T843 PolarHBondContact O-OG1 2.94Å; K839-T843 VanDerWaalsContact O-OG1 3.05Å; T843-I845 VanDerWaalsContact C-N 3.27Å; T843-I845 PolarHBondContact O-N 3.11Å; T843-R846 CarbonylContact O-C 3.3Å; T843-R846 PolarHBondContact O-N 3.29Å; T843-Q847 HydrophobicContact CG2-CB 4.46Å; T843-Q847 HydrophobicContact CG2-CG 3.83Å; T843-Q847 PolarHBondContact O-N 2.69Å
844A39.4Very low32Very low62 Ų6293.1 Ų93.151%0.51250%0.504SS..Hα-helixtrans-72.8-16.2173.500000114H840 E842 R846 S848H840-A844 VanDerWaalsContact O-CB 3.3Å; H840-A844 WeakPolarHBondContact O-CB 3.06Å; H840-A844 PolarHBondContact O-N 2.82Å; E842-A844 PolarHBondContact O-N 2.99Å; A844-R846 VanDerWaalsContact C-N 3.29Å; A844-S848 PolarHBondContact O-OG 3.22Å
845I34Very low32.1Very low100 Ų10094.7 Ų94.751%0.51350%0.497SS..Hα-helixtrans-77.1-18.2166.3-67.2167.9000110.9V557 L841 E842 T843V557-I845 HydrophobicContact CG1-CG1 4.24Å; L841-I845 PolarHBondContact O-N 3.04Å; E842-I845 WeakPolarHBondContact O-CB 3.36Å; E842-I845 PolarHBondContact O-N 2.9Å; T843-I845 VanDerWaalsContact C-N 3.27Å; T843-I845 PolarHBondContact O-N 3.11Å
846R28.9Very low31.9Very low183 Ų18392 Ų9269%0.69149%0.486SS*.Hα-helixtrans-114.9-29.2-171.1-70-178.7173.5-102.73.2116.3T843 A844T843-R846 CarbonylContact O-C 3.3Å; T843-R846 PolarHBondContact O-N 3.29Å; A844-R846 VanDerWaalsContact C-N 3.29Å
847Q36Very low31.3Very low153 Ų15390.3 Ų90.372%0.71548%0.481SS*.G310 helixtrans-87.4-1.5179.6-82.2-170.8-22.300114.8T843 M849T843-Q847 HydrophobicContact CG2-CB 4.46Å; T843-Q847 HydrophobicContact CG2-CG 3.83Å; T843-Q847 PolarHBondContact O-N 2.69Å; Q847-M849 PolarHBondContact O-N 3.46Å
848S33.5Very low31.1Very low94 Ų9493 Ų9366%0.65750%0.502SS*.G310 helixtrans-78.56.3166.643.80000113.5A844A844-S848 PolarHBondContact O-OG 3.22Å
849M28.7Very low30.4Very low148 Ų14895 Ų9573%0.72951%0.507SS*.G310 helixtrans-121.53.5-172.3-85-66.7-63.900116Q847Q847-M849 PolarHBondContact O-N 3.46Å
850L25.3Very low29.9Very low150 Ų15092.1 Ų92.179%0.78549%0.494SS*.  trans-173.8147.8158.3-98.5150.1000110.3
851P29.6Very low29.2Very low83 Ų8388.5 Ų88.554%0.53948%0.48SS..  trans-89.6-151.7178.239.1-32.7000110.9
852L24.4Very low28.5Very low75 Ų7590.2 Ų90.239%0.39349%0.493SS..  trans88.295177.7-48-169.9000113.6V981 L982L852-V981 WeakPolarHBondContact CD2-O 3.44Å; L852-L982 HydrophobicContact CD1-CD2 4.33Å
853T25.1Very low28.1Very low80 Ų8091.1 Ų91.149%0.49151%0.506SS..  75.6159.973.864.60000112V981T853-V981 VanDerWaalsContact OG1-CB 3.27Å; T853-V981 WeakPolarHBondContact OG1-CB 3.44Å; T853-V981 PolarHBondContact OG1-O 3Å
854S23Very low27.1Very low56 Ų5695.7 Ų95.739%0.39253%0.527SS..  cis-165.4-149.9-29.960.10000107.8V981S854-V981 VanDerWaalsContact OG-CG1 3.3Å; S854-V981 WeakPolarHBondContact OG-CG1 3.38Å
855R25.2Very low26.4Very low76 Ų76101.7 Ų101.729%0.28754%0.541SS..  trans77.2123170.4-46.217985.7127.90.6115.2V981 I989 Y991R855-V981 HydrophobicContact CG-CG2 4.31Å; R855-I989 HydrophobicContact CG-CD1 4.31Å; R855-I989 HydrophobicContact CG-CG1 4.24Å; R855-I989 HydrophobicContact CG-CG2 4Å; R855-I989 PolarHBondContact NH1-O 2.77Å; R855-Y991 PolarHBondContact NE-OH 3.19Å; R855-Y991 PolarHBondContact NH1-OH 2.82Å
856T23.8Very low25.9Very low74 Ų74104.9 Ų104.945%0.45456%0.56SS.*  cis89.613925.477.40000116.9
857S22.6Very low25.6Very low45 Ų45101.8 Ų101.832%0.31556%0.56SS.*  trans83.7107.9140.1-159.40000120.2Q859 R1011S857-Q859 WeakPolarHBondContact OG-CB 3.33Å; S857-R1011 PolarHBondContact OG-NE 3.32Å
858S28.2Very low25Very low88 Ų88101 Ų10162%0.61556%0.561SS**  trans-160.396.7142.7600000108.2
859Q23.2Very low24.5Very low68 Ų68105.9 Ų105.932%0.31857%0.573SS.*  cis59.3100.331.4-129.2-56.1-59.600110.4S857 L1010 R1011S857-Q859 WeakPolarHBondContact OG-CB 3.33Å; Q859-L1010 VanDerWaalsContact CD-C 3.46Å; Q859-L1010 PolarHBondContact NE2-O 3.49Å; Q859-L1010 PolarHBondContact OE1-O 3.43Å; Q859-R1011 HydrophobicContact CG-CB 3.75Å; Q859-R1011 HydrophobicContact CG-CG 3.58Å; Q859-R1011 VanDerWaalsContact OE1-N 3.17Å
860K25.9Very low24.3Very low63 Ų63107.2 Ų107.227%0.27458%0.578SS.*  trans-151.3151.4-174.8-35.1176.768.5-1610112.8P752 T753 A754P752-K860 CarbonylContact C-O 3.59Å; T753-K860 VanDerWaalsContact C-CE 3.47Å; T753-K860 HydrophobicContact CG2-CB 3.57Å; T753-K860 HydrophobicContact CG2-CD 3.5Å; T753-K860 HydrophobicContact CG2-CG 3.68Å; T753-K860 PolarHBondContact N-O 3.45Å; T753-K860 WeakPolarHBondContact O-CE 3.49Å; T753-K860 PolarHBondContact O-NZ 2.65Å; A754-K860 HydrophobicContact CB-CB 4.27Å; A754-K860 VanDerWaalsContact O-CB 3.24Å; A754-K860 WeakPolarHBondContact O-CB 3.3Å; A754-K860 WeakPolarHBondContact O-CE 3.14Å; A754-K860 WeakPolarHBondContact O-CG 3.39Å
861S24.6Very low24.2Very low19 Ų19105.2 Ų105.213%0.13358%0.576CS.*PPolyproline II helixtrans-79.4160.4-156.5-40.30000119.4P752 T753 A754 L1010P752-S861 CarbonylContact C-O 3.51Å; P752-S861 VanDerWaalsContact CA-O 3.25Å; P752-S861 WeakPolarHBondContact CA-O 3.34Å; P752-S861 WeakPolarHBondContact CB-O 3.14Å; T753-S861 PolarHBondContact N-O 3.4Å; A754-S861 VanDerWaalsContact CB-CB 3.47Å; A754-S861 VanDerWaalsContact CB-N 3.28Å; A754-S861 WeakPolarHBondContact CB-OG 3.11Å; S861-L1010 WeakPolarHBondContact OG-CD1 3.49Å; S861-L1010 WeakPolarHBondContact OG-CD2 3.43Å
862T22.8Very low23.8Very low110 Ų110107 Ų10768%0.67559%0.586SS**PPolyproline II helixtrans-73.1158.7151.3340000113.7
863T23.9Very low23.7Very low126 Ų126112.7 Ų112.777%0.77361%0.607SS**PPolyproline II helixtrans-92.6138.3179.8-54.60000111.4
864I22Very low23.6Very low157 Ų157114.5 Ų114.581%0.80562%0.619SS**PPolyproline II helixtrans-91.7137.5165.6-69.2174.8000108.8
865K23.5Very low23.4Very low188 Ų188119.1 Ų119.182%0.81764%0.636SS**PPolyproline II helixtrans-77.7129.9177.3-67.1177.8176.8179.30110.2
866N24Very low23.3Very low167 Ų167122.2 Ų122.289%0.89365%0.654SS**PPolyproline II helixtrans-76.3155164.3-85.9-11000110.9
867V22.3Very low23.4Very low117 Ų117126.1 Ų126.171%0.70967%0.667SS**  trans-115.8142.6-169.1164.60000110
868N22.8Very low23.5Very low137 Ų137132.7 Ų132.773%0.73369%0.692SS**  trans58.3122.3163.8-64.3-11.8000119.9
869H24.6Very low23.4Very low196 Ų196131.9 Ų131.991%0.90770%0.698SS**  -139.5142.3117.8-109.3-75.3000110.7
870Q23.5Very low23.5Very low176 Ų176135.2 Ų135.282%0.82272%0.718SS**  trans-87.3140.1178.8-62.1163.7-3500110.7
871S24Very low23.7Very low108 Ų108142.2 Ų142.276%0.75575%0.749SS**  trans-165.291.6157.7510000112.9
872T21Very low23.7Very low122 Ų122150 Ų15075%0.74878%0.783SS**  trans28143.2131.462.10000122.4
873K21.4Very low23.9Very low193 Ų193152.8 Ų152.884%0.83979%0.792SS**  trans76.6145.8162.5-62.1173.8-178.9179.20114.8
874T22.7Very low23.8Very low119 Ų119153 Ų15373%0.7379%0.788SS**  cis-156.6152.23.2-4.30000111.4
875M19.6Very low24Very low152 Ų152154.7 Ų154.775%0.74979%0.792SS**  trans41.7137.9142.8-70.2-120.781.200123.4
876Q22.4Very low24Very low142 Ų142152.7 Ų152.766%0.66479%0.786SS**  106.7134.7128.7-94.9176.122.600121.5
877Q27.7Very low24.1Very low156 Ų156151.6 Ų151.673%0.72979%0.785SS**  trans70.9102.8158.9-61.9167.344.100115.6
878Q22.8Very low24.7Very low182 Ų182151.8 Ų151.885%0.8579%0.789SS**  77.9122.254.3-164171.811.800112.1
879G27.5Very low24.9Very low72 Ų72154 Ų15474%0.74280%0.795SS**  trans167.680.1-171.300000111.3
880D24.9Very low25Very low137 Ų137150.6 Ų150.673%0.73379%0.788SS**  trans-66.8152.3-173.6-51.5-73.9000113.7
881K30.7Very low24.9Very low211 Ų211151.5 Ų151.592%0.91779%0.792SS**  trans-159.793.9149.9-113.3168.3-169.6-177.90111.1
882E22.8Very low25Very low183 Ų183156 Ų15686%0.85580%0.798SS**  trans-63146.8158.1-58.6174.9130.600109.7
883I27.1Very low24.9Very low168 Ų168155.4 Ų155.486%0.86280%0.799SS**  -160.9137.3122.1-97.6153.7000108.1
884L22.2Very low25Very low130 Ų130155.1 Ų155.168%0.68180%0.803SS**  trans-96.4124.2-172.7173.977.4000109.6Q886L884-Q886 HydrophobicContact CD1-CG 3.82Å; L884-Q886 HydrophobicContact CD2-CG 4.32Å; L884-Q886 HydrophobicContact CG-CG 4.02Å
885E27.5Very low25Very low193 Ų193155.7 Ų155.790%0.90281%0.806SS**  trans-126.7122.1153.2-82.9-168.2154.100109.7
886Q23.3Very low25.3Very low146 Ų146153.4 Ų153.468%0.68281%0.812SS**  trans-98.3141.2-179.5-63.5171.6-16.600109.6L884L884-Q886 HydrophobicContact CD1-CG 3.82Å; L884-Q886 HydrophobicContact CD2-CG 4.32Å; L884-Q886 HydrophobicContact CG-CG 4.02Å
887T26.5Very low25.4Very low144 Ų144151.3 Ų151.388%0.88381%0.813SS**  trans-168.4113.7134.110.40000109.9
888P34.5Very low25.2Very low120 Ų120150.3 Ų150.378%0.77981%0.811SS**  trans-103.7120.6174.134.4-25.9000111.2
889E27.3Very low25.5Very low185 Ų185148.2 Ų148.286%0.86481%0.811SS**  trans-122.596.6167.6-72.3-158.1152.500112.7
890T25.8Very low25.6Very low123 Ų123150.5 Ų150.576%0.75581%0.806SS**  trans39.2114.6139.848.70000120.5K892T890-K892 PolarHBondContact O-N 3.32Å
891Q21Very low25.7Very low195 Ų195151.4 Ų151.491%0.91181%0.811SS**  trans-42127.9149.8-60.4166.4-21.100112.6
892K27Very low25.7Very low202 Ų202147.8 Ų147.888%0.87880%0.801SS**  trans-136104147.2-83.1-168.7177.4172.10110.8T890T890-K892 PolarHBondContact O-N 3.32Å
893S19.4Very low25.8Very low110 Ų110149 Ų14977%0.76980%0.804SS**  trans-63.2127.8158.2172.40000109
894M23.3Very low25.8Very low187 Ų187148.2 Ų148.292%0.92180%0.8SS**  trans-148.4104.5153.4-125.8176.4175.300110.4
895T22.1Very low26Very low131 Ų131149.2 Ų149.280%0.80481%0.805SS**  trans-62.5125.4167.645.20000110.3
896A26.7Very low25.9Very low104 Ų104145.6 Ų145.686%0.8680%0.798SS**  trans-114.4133.9164.900000108.8
897S24Very low26Very low98 Ų98148.3 Ų148.369%0.68581%0.808SS**  trans-122.1147.8-156.654.80000113.7
898I23.9Very low26Very low135 Ų135149.4 Ų149.469%0.69281%0.807SS**  trans69.2114.1154.8-58.5152.1000117.2
899T29Very low25.5Very low138 Ų138149.8 Ų149.885%0.84781%0.807SS**  -142.990.5129.338.10000109.8N901T899-N901 PolarHBondContact O-N 2.8Å
900D28.3Very low25.4Very low120 Ų120146.5 Ų146.564%0.64280%0.8SS**  trans-71.5121.8176.1-73.4-61.4000112.1
901N27.5Very low25.4Very low157 Ų157148.2 Ų148.284%0.8480%0.803SS**  trans-106.167.2167.6-88.6-37.9000110.3T899 F903T899-N901 PolarHBondContact O-N 2.8Å; N901-F903 PolarHBondContact O-N 2.73Å
902N30.1Very low25.5Very low134 Ų134145.6 Ų145.672%0.71780%0.795SS**  trans-77.1104.8177.8-88.2-40.3000111.8I904N902-I904 PolarHBondContact O-N 3.36Å
903F24.8Very low25.4Very low209 Ų209141 Ų14192%0.91779%0.788SS**  trans-71.7106.6171.8-115.5-100.9000110.5N901 I905N901-F903 PolarHBondContact O-N 2.73Å; F903-I905 PolarHBondContact O-N 2.93Å
904I28.4Very low25.7Very low152 Ų152141.2 Ų141.278%0.77979%0.79SS**PPolyproline II helixtrans-79.1116.3-178.9-61.4175.4000110.2N902N902-I904 PolarHBondContact O-N 3.36Å
905I26Very low25.9Very low150 Ų150137.2 Ų137.277%0.76979%0.786SS**PPolyproline II helixtrans-74.9127.3170-62.5175.1000108.5F903 K907F903-I905 PolarHBondContact O-N 2.93Å; I905-K907 PolarHBondContact O-N 2.96Å
906P24.4Very low26.1Very low117 Ų117134.3 Ų134.376%0.7678%0.783SS**PPolyproline II helixtrans-65.7128.6-175-20.832.6000112.5L908P906-L908 PolarHBondContact O-N 3.48Å
907K27Very low26.1Very low204 Ų204138.5 Ų138.589%0.88778%0.781SS**PPolyproline II helixtrans-65.3129.9170.3-78.4-177.9175178.20110.1I905 V909I905-K907 PolarHBondContact O-N 2.96Å; K907-V909 PolarHBondContact O-N 2.8Å
908L24.8Very low26.3Very low166 Ų166140.3 Ų140.387%0.86978%0.784SS**PPolyproline II helixtrans-61.9124.7173.5-166.271.9000109.4P906 T910P906-L908 PolarHBondContact O-N 3.48Å; L908-T910 PolarHBondContact O-N 3.45Å
909V25.2Very low26.4Very low128 Ų128142.6 Ų142.678%0.77680%0.796SS**  trans-72.8109.6-178.9175.30000109.4K907 I911K907-V909 PolarHBondContact O-N 2.8Å; V909-I911 PolarHBondContact O-N 2.98Å
910T25.1Very low26.4Very low117 Ų117142 Ų14272%0.71879%0.792SS**  trans-71.4117.3170.1-540000109.3L908 N912L908-T910 PolarHBondContact O-N 3.45Å; T910-N912 PolarHBondContact O-N 2.67Å
911I25.4Very low26.4Very low159 Ų159142.5 Ų142.582%0.81580%0.795SS**  trans-74.3122.9173.4-63.3174.7000108.4V909V909-I911 PolarHBondContact O-N 2.98Å
912N24Very low26.5Very low139 Ų139142.9 Ų142.974%0.74380%0.795SS**  trans-80.1175-179.8-80.8-35.4000112.9T910T910-N912 PolarHBondContact O-N 2.67Å
913S25Very low26.4Very low106 Ų106140.3 Ų140.374%0.74179%0.788SS**  trans76.386.1162.546.30000119.5
914S25.4Very low26.6Very low115 Ų115139.6 Ų139.680%0.80479%0.787SS**  52.9117.3114.164.30000121.3
915A27.2Very low26.5Very low102 Ų102138.6 Ų138.684%0.84379%0.792SS**  -171.2109.9118.300000113.7
916G25.3Very low26.6Very low71 Ų71136.6 Ų136.673%0.73279%0.791SS**  trans70.7125.7135.700000122.5
917K27.1Very low27Very low191 Ų191139.6 Ų139.683%0.8380%0.795SS**  trans72.3135.1143.9-61.7-171.1179.1-177.30118
918D27.9Very low27.2Very low137 Ų137138 Ų13873%0.73380%0.795SS**  cis-140128-7.5-78.2-47000108.2
919L27.7Very low27.4Very low182 Ų182135.4 Ų135.495%0.95379%0.789SS**  trans-86.8112.6172.1-110.990.2000109.5N921L919-N921 PolarHBondContact O-N 3.41Å
920V28.8Very low27.8Very low127 Ų127136.4 Ų136.477%0.7779%0.79SS**  trans-69.6124.7169.2176.10000108.8I922V920-I922 PolarHBondContact O-N 3.13Å
921N27Very low28.4Very low130 Ų130139.8 Ų139.870%0.69580%0.798SS**  trans-77.6108.3-171.1-168.123.4000111.5L919 S923L919-N921 PolarHBondContact O-N 3.41Å; N921-S923 PolarHBondContact ND2-OG 2.95Å; N921-S923 WeakPolarHBondContact OD1-CB 3.46Å; N921-S923 PolarHBondContact OD1-OG 3.34Å; N921-S923 VanDerWaalsContact OD1-OG 3.08Å
922I29.8Very low29Very low164 Ų164138.3 Ų138.384%0.84179%0.788SS**  trans-114.673.5169.1-51.5179.4000107.8V920V920-I922 PolarHBondContact O-N 3.13Å
923S28.5Very low29.8Very low81 Ų81136.4 Ų136.457%0.56678%0.776SS**  trans-113.856.1-178.667.40000111.6N921N921-S923 PolarHBondContact ND2-OG 2.95Å; N921-S923 WeakPolarHBondContact OD1-CB 3.46Å; N921-S923 PolarHBondContact OD1-OG 3.34Å; N921-S923 VanDerWaalsContact OD1-OG 3.08Å
924E28.6Very low30.7Very low193 Ų193137.5 Ų137.590%0.90277%0.774SS**  trans-150.149.6178.3-131.8168.5-130.400113.4
925C27.4Very low31.6Very low132 Ų132139.2 Ų139.289%0.89277%0.769SS**  trans-155.870.9160.8-160.70000110.6
926S28.1Very low32.2Very low107 Ų107139.7 Ų139.775%0.74875%0.752SS**  trans-14466-178.664.50000112.1
927Q32.8Very low33.1Very low181 Ų181140.2 Ų140.285%0.84674%0.741SS**SBendtrans-159.8142.5162.6-105.8157.428.400108.1
928I30.9Very low33.7Very low169 Ų169138.3 Ų138.387%0.86773%0.733SS**SBendtrans79.9141.4-164.6-48163.5000112.2
929C29.2Very low34.4Very low113 Ų113138.1 Ų138.176%0.76473%0.728SS**  trans76.357.3-175.5-57.30000117.4
930N32.5Very low35Very low149 Ų149134.4 Ų134.480%0.79771%0.708SS**  trans-127.712.4166.6-106.6-4000115.1
931E37.5Very low35.6Very low187 Ų187130.5 Ų130.587%0.87469%0.686SS**SBendtrans-107.1-7.9175.3-68.4-173.715700113.8
932E38.7Very low36.2Very low128 Ų128129.2 Ų129.260%0.59868%0.679SS**SBendtrans-91.62.4-176.7-136-163.5-129.200114.5K936E932-K936 IonicContact OE2-NZ 3.35Å; E932-K936 PolarHBondContact OE2-NZ 2.82Å
933I40.2Very low36.7Very low99 Ų99127.3 Ų127.351%0.50867%0.67SS.*Hα-helixtrans-91.3-33.7-176.4-64.1177.9000111.8E935 K936 T937I933-E935 PolarHBondContact O-N 2.87Å; I933-K936 PolarHBondContact O-N 3.28Å; I933-T937 PolarHBondContact O-N 2.89Å; I933-T937 PolarHBondContact O-OG1 2.84Å; I933-T937 VanDerWaalsContact O-OG1 3.13Å
934D44.1Very low37.1Very low130 Ų130130.5 Ų130.570%0.69568%0.676SS**Hα-helixtrans-72.9-23.2-176.9-83.90.3000114.1T937D934-T937 PolarHBondContact O-OG1 3.26Å
935E43.6Very low37.5Very low151 Ų151127.3 Ų127.371%0.70666%0.659SS**Hα-helixtrans-73.7-41170.9-74.6-162.9136.500111.8I933 K938 E939I933-E935 PolarHBondContact O-N 2.87Å; E935-K938 WeakPolarHBondContact O-CB 3.19Å; E935-K938 PolarHBondContact O-N 2.89Å; E935-E939 PolarHBondContact O-N 3.39Å
936K40.4Very low37.9Very low111 Ų111124.4 Ų124.448%0.48365%0.645SS.*Hα-helixtrans-72.5-29.9-177.2-78168.6-177.3147.40113.5E932 I933 K938 I940E932-K936 IonicContact OE2-NZ 3.35Å; E932-K936 PolarHBondContact OE2-NZ 2.82Å; I933-K936 PolarHBondContact O-N 3.28Å; K936-K938 VanDerWaalsContact C-N 3.35Å; K936-I940 WeakPolarHBondContact O-CG1 3.41Å; K936-I940 PolarHBondContact O-N 3.11Å
937T44.6Very low38.2Very low82 Ų82126.3 Ų126.350%0.50364%0.642SS.*Hα-helixtrans-72.3-27.6172.337.40000112.8I933 D934 S941I933-T937 PolarHBondContact O-N 2.89Å; I933-T937 PolarHBondContact O-OG1 2.84Å; I933-T937 VanDerWaalsContact O-OG1 3.13Å; D934-T937 PolarHBondContact O-OG1 3.26Å; T937-S941 PolarHBondContact O-N 2.66Å
938K39.6Very low38.4Very low151 Ų151126.1 Ų126.166%0.65764%0.641SS**Hα-helixtrans-67-46.9169-95178.5175.3171.80112.5E935 K936 I940 S941 D942E935-K938 WeakPolarHBondContact O-CB 3.19Å; E935-K938 PolarHBondContact O-N 2.89Å; K936-K938 VanDerWaalsContact C-N 3.35Å; K938-I940 PolarHBondContact O-N 3.46Å; K938-S941 PolarHBondContact O-N 3.25Å; K938-S941 VanDerWaalsContact O-N 3.08Å; K938-D942 PolarHBondContact O-N 3.27Å; K938-D942 VanDerWaalsContact O-N 3.11Å
939E41.9Very low38.4Very low133 Ų133124.3 Ų124.362%0.62163%0.633SS**Hα-helixtrans-56.9-34.9179-74.7-168135.100113.1E935 L943E935-E939 PolarHBondContact O-N 3.39Å; E939-L943 WeakPolarHBondContact O-CG 3.44Å; E939-L943 PolarHBondContact O-N 3.29Å
940I41.9Very low38.7Very low105 Ų105126.9 Ų126.954%0.53864%0.639SS.*Hα-helixtrans-71.8-40.7177.4-62.9170.3000111.3K936 K938 D942 L943 E944K936-I940 WeakPolarHBondContact O-CG1 3.41Å; K936-I940 PolarHBondContact O-N 3.11Å; K938-I940 PolarHBondContact O-N 3.46Å; I940-D942 VanDerWaalsContact C-N 3.27Å; I940-D942 PolarHBondContact O-N 3.29Å; I940-L943 PolarHBondContact O-N 3.12Å; I940-E944 PolarHBondContact O-N 3.23Å
941S41.4Very low38.9Very low45 Ų45125 Ų12532%0.31563%0.629SS.*Hα-helixtrans-63.8-31.9176.21770000113.1T937 K938 K945T937-S941 PolarHBondContact O-N 2.66Å; K938-S941 PolarHBondContact O-N 3.25Å; K938-S941 VanDerWaalsContact O-N 3.08Å; S941-K945 WeakPolarHBondContact O-CG 3.44Å; S941-K945 PolarHBondContact O-N 3.22Å; S941-K945 PolarHBondContact OG-NZ 3.46Å
942D39.1Very low38.5Very low102 Ų102119.6 Ų119.655%0.54562%0.624SS.*Hα-helixtrans-80.2-22.9-178.5-69.1-20.8000111.9K938 I940 A946K938-D942 PolarHBondContact O-N 3.27Å; K938-D942 VanDerWaalsContact O-N 3.11Å; I940-D942 VanDerWaalsContact C-N 3.27Å; I940-D942 PolarHBondContact O-N 3.29Å; D942-A946 PolarHBondContact O-N 2.9Å
943L40.6Very low38.4Very low124 Ų124118.4 Ų118.465%0.64963%0.625SS**Hα-helixtrans-73.5-38.1171.1-78.4165.5000113E939 I940 A946E939-L943 WeakPolarHBondContact O-CG 3.44Å; E939-L943 PolarHBondContact O-N 3.29Å; I940-L943 PolarHBondContact O-N 3.12Å; L943-A946 PolarHBondContact O-N 3.07Å
944E36.4Very low37.8Very low148 Ų148115.3 Ų115.369%0.69262%0.618SS**Hα-helixtrans-71.1-37.8177.5-68.4-173.2150.800112.1I940 A946 E947I940-E944 PolarHBondContact O-N 3.23Å; E944-A946 VanDerWaalsContact C-N 3.27Å; E944-A946 PolarHBondContact O-N 2.68Å; E944-E947 PolarHBondContact O-N 3.36Å
945K37Very low37.2Very low126 Ų126113.5 Ų113.555%0.54862%0.616SS.*Hα-helixtrans-66.6-26.8175.8-74.6171.4-177.6158.20113.6S941 E947 E948S941-K945 WeakPolarHBondContact O-CG 3.44Å; S941-K945 PolarHBondContact O-N 3.22Å; S941-K945 PolarHBondContact OG-NZ 3.46Å; K945-E947 PolarHBondContact O-N 3.45Å; K945-E948 PolarHBondContact O-N 2.77Å
946A36.1Very low36.5Very low71 Ų71111.3 Ų111.359%0.58762%0.617SS**THydrogen-bonded Turntrans-68.1-9.1178.700000114.3D942 L943 E944D942-A946 PolarHBondContact O-N 2.9Å; L943-A946 PolarHBondContact O-N 3.07Å; E944-A946 VanDerWaalsContact C-N 3.27Å; E944-A946 PolarHBondContact O-N 2.68Å
947E33.4Very low36Very low148 Ų148110.1 Ų110.169%0.69262%0.615SS**THydrogen-bonded Turntrans-95.6-13.4175.2-66.4-150.9132.200114.8E944 K945E944-E947 PolarHBondContact O-N 3.36Å; K945-E947 PolarHBondContact O-N 3.45Å
948E38.3Very low35.5Very low176 Ų176109.2 Ų109.282%0.82261%0.612SS**THydrogen-bonded Turntrans-92.2-22.3178.1-65.7-162.3151.300113.9K945 D950K945-E948 PolarHBondContact O-N 2.77Å; E948-D950 PolarHBondContact O-N 3.26Å; E948-D950 VanDerWaalsContact O-N 3.14Å
949D30.4Very low35.2Very low132 Ų132105.2 Ų105.271%0.70661%0.608SS**  trans-86.369.7176.7-74.3-29.8000112.9D951D949-D951 PolarHBondContact O-N 2.67Å
950D36.1Very low34.7Very low166 Ų166105 Ų10589%0.88860%0.604SS**THydrogen-bonded Turntrans-73.942.9174.4-167.631.5000113.5E948E948-D950 PolarHBondContact O-N 3.26Å; E948-D950 VanDerWaalsContact O-N 3.14Å
951D35.5Very low34.3Very low109 Ų109101.4 Ų101.458%0.58359%0.586SS**THydrogen-bonded Turntrans-97.3-14.7175.7102.2-20000113.4D949 T953D949-D951 PolarHBondContact O-N 2.67Å; D951-T953 VanDerWaalsContact C-N 3.27Å; D951-T953 PolarHBondContact O-N 2.82Å; D951-T953 WeakPolarHBondContact OD1-CB 3.28Å; D951-T953 WeakPolarHBondContact OD1-CG2 3.39Å; D951-T953 PolarHBondContact OD1-N 3.37Å; D951-T953 PolarHBondContact OD1-OG1 2.98Å; D951-T953 WeakPolarHBondContact OD2-CG2 3.44Å; D951-T953 PolarHBondContact OD2-OG1 3.17Å
952G29.3Very low34Very low74 Ų74106.8 Ų106.876%0.76361%0.607SS**  trans69.512.8171.500000115.9
953T37.6Very low33.7Very low103 Ų103105.8 Ų105.863%0.63261%0.607SS**  trans-77.7-22.6-174.857.40000114.6D951 S955D951-T953 VanDerWaalsContact C-N 3.27Å; D951-T953 PolarHBondContact O-N 2.82Å; D951-T953 WeakPolarHBondContact OD1-CB 3.28Å; D951-T953 WeakPolarHBondContact OD1-CG2 3.39Å; D951-T953 PolarHBondContact OD1-N 3.37Å; D951-T953 PolarHBondContact OD1-OG1 2.98Å; D951-T953 WeakPolarHBondContact OD2-CG2 3.44Å; D951-T953 PolarHBondContact OD2-OG1 3.17Å; T953-S955 PolarHBondContact O-N 3.01Å; T953-S955 VanDerWaalsContact O-N 3.12Å
954G27.2Very low33.5Very low35 Ų35107.9 Ų107.936%0.36161%0.611SS.*  trans64.118.5165.300000116.6S956G954-S956 PolarHBondContact O-N 3.49Å
955S30.4Very low33.7Very low92 Ų92104.9 Ų104.964%0.64360%0.597SS**Hα-helixtrans-61.5-41.6-170.1-167.60000114T953 I957 S958T953-S955 PolarHBondContact O-N 3.01Å; T953-S955 VanDerWaalsContact O-N 3.12Å; S955-I957 VanDerWaalsContact C-N 3.32Å; S955-I957 PolarHBondContact O-N 3.48Å; S955-S958 PolarHBondContact O-N 3.04Å
956S30.2Very low33.9Very low105 Ų105102 Ų10273%0.73459%0.593SS**Hα-helixtrans-59.3-37.1-175.1-174.70000113.8G954 F960G954-S956 PolarHBondContact O-N 3.49Å; S956-F960 PolarHBondContact O-N 3.02Å
957I29.5Very low34.3Very low85 Ų85104.7 Ų104.744%0.43661%0.607SS.*Hα-helixtrans-71.9-33.9-176.8-73.8173.6000112.3S955 A959 F960 I961S955-I957 VanDerWaalsContact C-N 3.32Å; S955-I957 PolarHBondContact O-N 3.48Å; I957-A959 VanDerWaalsContact C-N 3.35Å; I957-A959 PolarHBondContact O-N 3.41Å; I957-F960 PolarHBondContact O-N 2.97Å; I957-I961 HydrophobicContact CG2-CD1 3.65Å; I957-I961 HydrophobicContact CG2-CG1 4.22Å; I957-I961 WeakPolarHBondContact O-CG1 3.35Å; I957-I961 PolarHBondContact O-N 3.47Å
958S33.9Very low35.3Very low63 Ų63100.7 Ų100.744%0.44159%0.591SS.*Hα-helixtrans-61.6-44.6178.1-60.70000111.2S955 F960 I961 E962S955-S958 PolarHBondContact O-N 3.04Å; S958-F960 VanDerWaalsContact C-N 3.32Å; S958-F960 PolarHBondContact O-N 3.19Å; S958-I961 PolarHBondContact O-N 3.26Å; S958-E962 PolarHBondContact O-N 3.06Å
959A33.2Very low37Very low68 Ų6896.6 Ų96.656%0.56257%0.574SS**Hα-helixtrans-62.6-35.117900000113.1I957I957-A959 VanDerWaalsContact C-N 3.35Å; I957-A959 PolarHBondContact O-N 3.41Å
960F31.6Very low39.5Very low127 Ų12790.4 Ų90.456%0.55754%0.541SS*.Hα-helixtrans-81-27.7177.8-164.7-94.1000113.6S956 I957 S958 E962 S963S956-F960 PolarHBondContact O-N 3.02Å; I957-F960 PolarHBondContact O-N 2.97Å; S958-F960 VanDerWaalsContact C-N 3.32Å; S958-F960 PolarHBondContact O-N 3.19Å; F960-E962 VanDerWaalsContact C-N 3.29Å; F960-S963 PolarHBondContact O-N 3.14Å; F960-S963 PolarHBondContact O-OG 2.96Å; F960-S963 VanDerWaalsContact O-OG 3.09Å
961I32.6Very low41.7Very low30 Ų3086.7 Ų86.715%0.15452%0.519CS..Hα-helixtrans-66.4-35173.3-72.6173.7000110.8I957 S958I957-I961 HydrophobicContact CG2-CD1 3.65Å; I957-I961 HydrophobicContact CG2-CG1 4.22Å; I957-I961 WeakPolarHBondContact O-CG1 3.35Å; I957-I961 PolarHBondContact O-N 3.47Å; S958-I961 PolarHBondContact O-N 3.26Å
962E35.7Very low44.1Very low159 Ų15983.9 Ų83.974%0.74351%0.511SS*.Hα-helixtrans-71.8-30.1178-70.5179.9166.900113.4S958 F960 K964S958-E962 PolarHBondContact O-N 3.06Å; F960-E962 VanDerWaalsContact C-N 3.29Å; E962-K964 VanDerWaalsContact C-N 3.32Å; E962-K964 PolarHBondContact O-N 2.94Å
963S33.2Very low46.9Very low80 Ų8082.2 Ų82.256%0.55948%0.484SS*.THydrogen-bonded Turntrans-71.8-16.9-17273.60000115.8F960F960-S963 PolarHBondContact O-N 3.14Å; F960-S963 PolarHBondContact O-OG 2.96Å; F960-S963 VanDerWaalsContact O-OG 3.09Å
964K35.2Very low49.6Very low169 Ų16977.6 Ų77.674%0.73546%0.455SS*.THydrogen-bonded Turntrans-1241.7-176.7-89.2-179.4176.4172.80115.7E962 S966E962-K964 VanDerWaalsContact C-N 3.32Å; E962-K964 PolarHBondContact O-N 2.94Å; K964-S966 PolarHBondContact O-N 3.48Å
965Q41.7Very low52.6Low84 Ų8480.1 Ų80.139%0.39346%0.458SS..  trans-91.898.5176.5-70-170.725.500111.7
966S40.7Very low55.4Low67 Ų6777.8 Ų77.847%0.46944%0.437SS..  trans-50.6141149.657.30000108.5K964 D968 R1040K964-S966 PolarHBondContact O-N 3.48Å; S966-D968 WeakPolarHBondContact CB-OD2 3.49Å; S966-D968 PolarHBondContact O-N 3.29Å; S966-D968 PolarHBondContact OG-OD2 3.09Å; S966-R1040 PolarHBondContact OG-NH2 3.1Å
967S43.7Very low58.1Low126 Ų12676 Ų7688%0.88142%0.416SS*.SBendtrans-73.734-168.458.60000114.9N969S967-N969 PolarHBondContact O-N 3.32Å; S967-N969 VanDerWaalsContact O-N 3.15Å
968D56.5Low60.3Low64 Ų6475.5 Ų75.534%0.34242%0.419SS..  trans-75.2100.2179.5-59.7-51.2000110.3S966 L973 R1040 F1042S966-D968 WeakPolarHBondContact CB-OD2 3.49Å; S966-D968 PolarHBondContact O-N 3.29Å; S966-D968 PolarHBondContact OG-OD2 3.09Å; D968-L973 HydrophobicContact CB-CD1 3.79Å; D968-L973 HydrophobicContact CB-CG 4.32Å; D968-R1040 IonicContact OD2-NH2 2.65Å; D968-F1042 VanDerWaalsContact O-CD1 3.27Å; D968-F1042 WeakPolarHBondContact O-CD1 3.25Å; D968-F1042 WeakPolarHBondContact O-CE1 3.43Å
969N72.9Confident62.3Low90 Ų9079.8 Ų79.848%0.48144%0.437SS..  trans-56.2140.3168.3-177.4-15.6000110S967 Q971 A972S967-N969 PolarHBondContact O-N 3.32Å; S967-N969 VanDerWaalsContact O-N 3.15Å; N969-Q971 PolarHBondContact O-N 3.44Å; N969-Q971 PolarHBondContact OD1-N 3.01Å; N969-A972 VanDerWaalsContact O-CB 3.27Å; N969-A972 WeakPolarHBondContact O-CB 3.24Å; N969-A972 PolarHBondContact O-N 2.83Å
970V82.7Confident64.6Low2 Ų279.2 Ų79.21%0.01242%0.422CS..Hα-helixtrans-47.2-36.7178.665.60000113A972 L973 Y974 F1042 F1049V970-A972 VanDerWaalsContact C-N 3.27Å; V970-A972 PolarHBondContact O-N 2.83Å; V970-L973 PolarHBondContact O-N 3.15Å; V970-Y974 HydrophobicContact CG2-CD2 4.12Å; V970-Y974 PolarHBondContact O-N 2.94Å; V970-F1042 HydrophobicContact CB-CB 3.96Å; V970-F1042 HydrophobicContact CB-CD1 4.19Å; V970-F1042 HydrophobicContact CB-CD2 3.73Å; V970-F1042 HydrophobicContact CB-CE2 4.34Å; V970-F1042 HydrophobicContact CB-CG 3.66Å; V970-F1042 HydrophobicContact CG2-CD2 3.61Å; V970-F1042 HydrophobicContact CG2-CE2 4.06Å; V970-F1042 HydrophobicContact CG2-CG 4.09Å; V970-F1049 HydrophobicContact CB-CG 4.49Å; V970-F1049 HydrophobicContact CG1-CD1 4.15Å; V970-F1049 HydrophobicContact CG1-CD2 4.2Å; V970-F1049 HydrophobicContact CG1-CE1 4.12Å; V970-F1049 HydrophobicContact CG1-CE2 4.17Å; V970-F1049 HydrophobicContact CG1-CG 4.21Å; V970-F1049 HydrophobicContact CG1-CZ 4.13Å; V970-F1049 HydrophobicContact CG2-CB 4.31Å; V970-F1049 HydrophobicContact CG2-CD1 4.3Å; V970-F1049 HydrophobicContact CG2-CG 4.3Å
971Q82.8Confident66.9Low89 Ų8973.3 Ų73.342%0.41640%0.397SS..Hα-helixtrans-68.5-18.1179.1-60.1-177.513.900114.8N969N969-Q971 PolarHBondContact O-N 3.44Å; N969-Q971 PolarHBondContact OD1-N 3.01Å
972A85.6Confident69.2Low50 Ų5074.7 Ų74.741%0.41340%0.404SS..Hα-helixtrans-75.5-40176.700000111N969 V970 R996N969-A972 VanDerWaalsContact O-CB 3.27Å; N969-A972 WeakPolarHBondContact O-CB 3.24Å; N969-A972 PolarHBondContact O-N 2.83Å; V970-A972 VanDerWaalsContact C-N 3.27Å; V970-A972 PolarHBondContact O-N 2.83Å; A972-R996 PolarHBondContact O-NH1 2.9Å
973L88.6Confident71Confident38 Ų3868.4 Ų68.420%0.19938%0.382CS..Hα-helixtrans-96.9-30.9-174.4-66.4171.2000113.5D968 V970 R996 R1040 F1042D968-L973 HydrophobicContact CB-CD1 3.79Å; D968-L973 HydrophobicContact CB-CG 4.32Å; V970-L973 PolarHBondContact O-N 3.15Å; L973-R996 WeakPolarHBondContact O-CB 3.26Å; L973-R996 WeakPolarHBondContact O-CG 2.78Å; L973-R996 PolarHBondContact O-N 3.3Å; L973-R1040 VanDerWaalsContact CD1-NH1 3.33Å; L973-F1042 HydrophobicContact CD1-CE1 4.11Å; L973-F1042 HydrophobicContact CD1-CZ 3.83Å
974Y93.2Very high72.5Confident6 Ų668 Ų682%0.02438%0.379CS..EExtended strand (participates in β ladder)trans-126.8146.1-175.6-55.8-88.3000112.1V970 I994 H995 V1002 I1004 E1039 F1042 V1051V970-Y974 HydrophobicContact CG2-CD2 4.12Å; V970-Y974 PolarHBondContact O-N 2.94Å; Y974-I994 WeakPolarHBondContact CA-O 3.29Å; Y974-H995 HydrophobicContact CD1-CB 3.96Å; Y974-H995 HydrophobicContact CE1-CB 3.8Å; Y974-H995 AromaticContact CE1-CD2 3.36Å; Y974-H995 WeakPolarHBondContact CE1-CD2 3.47Å; Y974-H995 AromaticContact CE1-CG 3.93Å; Y974-H995 AromaticContact CZ-CD2 3.54Å; Y974-V1002 HydrophobicContact CD1-CG1 4.46Å; Y974-V1002 HydrophobicContact CD1-CG2 3.9Å; Y974-V1002 HydrophobicContact CE1-CG1 4.21Å; Y974-V1002 HydrophobicContact CE1-CG2 4.42Å; Y974-I1004 HydrophobicContact CG-CD1 4.5Å; Y974-E1039 WeakPolarHBondContact CE1-OE1 3.38Å; Y974-E1039 VanDerWaalsContact OH-CD 3.31Å; Y974-E1039 PolarHBondContact OH-OE1 3.37Å; Y974-F1042 AromaticContact CD2-CE2 3.79Å; Y974-F1042 HydrophobicContact CD2-CE2 3.79Å; Y974-F1042 HydrophobicContact CD2-CZ 4.12Å; Y974-F1042 AromaticContact CE2-CE2 3.37Å; Y974-F1042 HydrophobicContact CE2-CE2 3.37Å; Y974-F1042 AromaticContact CE2-CZ 3.58Å; Y974-F1042 HydrophobicContact CE2-CZ 3.58Å; Y974-V1051 HydrophobicContact CD1-CG1 4.02Å; Y974-V1051 HydrophobicContact CD2-CG2 4.41Å; Y974-V1051 HydrophobicContact CE1-CG1 3.54Å; Y974-V1051 HydrophobicContact CE2-CG2 4.28Å
975E91.4Very high73.6Confident89 Ų8962.2 Ų62.242%0.41637%0.368SS..EExtended strand (participates in β ladder)trans-107.3118.3168.8-167.5168.3161.500107.5F977 G993 I994 R996E975-F977 HydrophobicContact CB-CE1 4.45Å; E975-F977 HydrophobicContact CG-CD1 4.42Å; E975-F977 HydrophobicContact CG-CE1 3.93Å; E975-G993 CarbonylContact O-C 3.53Å; E975-G993 WeakPolarHBondContact O-CA 3.32Å; E975-I994 HydrophobicContact CB-CD1 4.49Å; E975-I994 HydrophobicContact CB-CG1 3.82Å; E975-I994 PolarHBondContact N-O 3.36Å; E975-I994 PolarHBondContact O-N 3.25Å; E975-R996 HydrophobicContact CB-CG 4.08Å
976I89.1Confident74.2Confident42 Ų4261 Ų6122%0.21536%0.362CS..EExtended strand (participates in β ladder)trans-95.1127.9-179.7-55.8173.8000107.2P978 Y991 I1004 F1049I976-P978 VanDerWaalsContact O-CD 3.28Å; I976-P978 WeakPolarHBondContact O-CD 3.38Å; I976-Y991 HydrophobicContact CG2-CD2 3.46Å; I976-Y991 VanDerWaalsContact CG2-CD2 3.46Å; I976-Y991 HydrophobicContact CG2-CE2 4.12Å; I976-Y991 HydrophobicContact CG2-CG 3.69Å; I976-I1004 HydrophobicContact CD1-CG2 4.25Å; I976-I1004 HydrophobicContact CG1-CD1 3.72Å; I976-I1004 HydrophobicContact CG1-CG2 4.42Å; I976-F1049 HydrophobicContact CD1-CD1 3.96Å; I976-F1049 HydrophobicContact CD1-CE1 3.83Å
977F86Confident75.1Confident68 Ų6858.6 Ų58.630%0.29834%0.343SS..EExtended strand (participates in β ladder)trans-92.3105.9177-56.3-39.2000109.6E975 D979 E980 Y991 G992 I994E975-F977 HydrophobicContact CB-CE1 4.45Å; E975-F977 HydrophobicContact CG-CD1 4.42Å; E975-F977 HydrophobicContact CG-CE1 3.93Å; F977-D979 PolarHBondContact O-N 3.41Å; F977-E980 HydrophobicContact CB-CB 4Å; F977-E980 WeakPolarHBondContact CD2-OE2 3.36Å; F977-E980 PolarHBondContact O-N 2.94Å; F977-Y991 WeakPolarHBondContact O-CD1 3.05Å; F977-G992 PolarHBondContact N-O 3.2Å; F977-I994 HydrophobicContact CE1-CG1 4.39Å; F977-I994 HydrophobicContact CE2-CG1 4.5Å; F977-I994 HydrophobicContact CE2-CG2 3.94Å; F977-I994 HydrophobicContact CZ-CB 4.36Å; F977-I994 HydrophobicContact CZ-CD1 4.01Å; F977-I994 HydrophobicContact CZ-CG1 3.75Å; F977-I994 HydrophobicContact CZ-CG2 3.91Å
978P75.8Confident76.2Confident74 Ų7453 Ų5348%0.48131%0.305SS..EExtended strand (participates in β ladder)trans-70.8-20.9-171.4-18.134000113.7I976 Y991I976-P978 VanDerWaalsContact O-CD 3.28Å; I976-P978 WeakPolarHBondContact O-CD 3.38Å; P978-Y991 HydrophobicContact CB-CE1 4.37Å; P978-Y991 WeakPolarHBondContact O-CE1 3.4Å
979D75.2Confident77.2Confident153 Ų15350.3 Ų50.382%0.81829%0.291SS*.EExtended strand (participates in β ladder)trans-89.9-17.7-179.1-53.2-47.3000112F977 V981F977-D979 PolarHBondContact O-N 3.41Å; D979-V981 PolarHBondContact O-N 3.32Å
980E82.2Confident77.7Confident57 Ų5747.5 Ų47.527%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-93.877174.6-167.1-172.3-176.500110F977 L982 Y991 G992 K1054F977-E980 HydrophobicContact CB-CB 4Å; F977-E980 WeakPolarHBondContact CD2-OE2 3.36Å; F977-E980 PolarHBondContact O-N 2.94Å; E980-L982 HydrophobicContact CG-CD2 3.98Å; E980-L982 PolarHBondContact O-N 3.29Å; E980-Y991 CarbonylContact O-C 3.52Å; E980-Y991 WeakPolarHBondContact O-CA 3.46Å; E980-G992 PolarHBondContact O-N 2.87Å; E980-G992 WeakPolarHBondContact OE2-CA 3.38Å; E980-K1054 WeakPolarHBondContact OE1-CE 3.47Å; E980-K1054 IonicContact OE1-NZ 2.71Å; E980-K1054 PolarHBondContact OE1-NZ 3.49Å; E980-K1054 VanDerWaalsContact OE1-NZ 3.11Å
981V79.9Confident78Confident3 Ų349.2 Ų49.22%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-87.5101.4175.7170.90000110.6L852 T853 S854 R855 D979 G983 I989 V990 Y991L852-V981 WeakPolarHBondContact CD2-O 3.44Å; T853-V981 VanDerWaalsContact OG1-CB 3.27Å; T853-V981 WeakPolarHBondContact OG1-CB 3.44Å; T853-V981 PolarHBondContact OG1-O 3Å; S854-V981 VanDerWaalsContact OG-CG1 3.3Å; S854-V981 WeakPolarHBondContact OG-CG1 3.38Å; R855-V981 HydrophobicContact CG-CG2 4.31Å; D979-V981 PolarHBondContact O-N 3.32Å; V981-G983 PolarHBondContact O-N 3.47Å; V981-I989 HydrophobicContact CB-CG2 4.42Å; V981-I989 HydrophobicContact CG1-CG2 3.28Å; V981-I989 HydrophobicContact CG2-CG2 4.29Å; V981-V990 CarbonylContact C-O 3.51Å; V981-Y991 HydrophobicContact CG2-CD1 3.54Å; V981-Y991 HydrophobicContact CG2-CE1 3.45Å; V981-Y991 VanDerWaalsContact CG2-CE1 3.45Å
982L80.4Confident78.5Confident58 Ų5845 Ų4530%0.30426%0.264SS..EExtended strand (participates in β ladder)trans-67.3-32.8-178.9-56177.6000113.1L852 E980 V990 A1003 K1054L852-L982 HydrophobicContact CD1-CD2 4.33Å; E980-L982 HydrophobicContact CG-CD2 3.98Å; E980-L982 PolarHBondContact O-N 3.29Å; L982-V990 HydrophobicContact CB-CB 4.43Å; L982-V990 HydrophobicContact CB-CG1 4.22Å; L982-V990 HydrophobicContact CD1-CG1 4.27Å; L982-V990 PolarHBondContact N-O 2.91Å; L982-A1003 HydrophobicContact CD1-CB 3.99Å; L982-K1054 HydrophobicContact CD1-CD 3.98Å; L982-K1054 HydrophobicContact CD1-CG 4.16Å
983G73.5Confident78.9Confident28 Ų2842.7 Ų42.729%0.28924%0.244SC..EExtended strand (participates in β ladder)trans-172.7149.3179.300000113.4V981 I989 V990V981-G983 PolarHBondContact O-N 3.47Å; G983-I989 CarbonylContact O-C 3.56Å; G983-I989 WeakPolarHBondContact O-CA 3.29Å; G983-I989 VanDerWaalsContact O-CG2 3.23Å; G983-I989 WeakPolarHBondContact O-CG2 3.4Å; G983-V990 PolarHBondContact N-O 3.22Å; G983-V990 PolarHBondContact O-N 3.06Å
984S66.5Low79.1Confident70 Ų7042.2 Ų42.249%0.4924%0.242SC..EExtended strand (participates in β ladder)trans-129.3123.3-178.163.10000111.8I989S984-I989 VanDerWaalsContact CB-CG1 3.46Å
985G57.2Low79.2Confident48 Ų4843 Ų4350%0.49525%0.246SC..EExtended strand (participates in β ladder)trans-134-174-177.800000113.5F987 G988G985-F987 PolarHBondContact O-N 2.97Å; G985-G988 CarbonylContact C-O 3.45Å; G985-G988 PolarHBondContact N-O 3.39Å; G985-G988 PolarHBondContact O-N 3.15Å
986Q55.3Low79.2Confident59 Ų5944.6 Ų44.628%0.27625%0.248SC..THydrogen-bonded Turntrans-66.9-23.5-177.264155.84.700114.2F1012Q986-F1012 WeakPolarHBondContact O-CE1 3.46Å; Q986-F1012 WeakPolarHBondContact O-CZ 3.37Å
987F58.8Low79.3Confident17 Ų1751.6 Ų51.68%0.07528%0.277CS..THydrogen-bonded Turntrans-85.8-20-178-59.6-67.2000112.6G985 I1007 F1012 G1140 F1141G985-F987 PolarHBondContact O-N 2.97Å; F987-I1007 WeakPolarHBondContact O-CG1 3.48Å; F987-I1007 WeakPolarHBondContact O-CG2 3.43Å; F987-F1012 VanDerWaalsContact O-CE2 3.23Å; F987-F1012 WeakPolarHBondContact O-CE2 3.47Å; F987-G1140 WeakPolarHBondContact CZ-O 3.32Å; F987-F1141 HydrophobicContact CE2-CD2 4.05Å; F987-F1141 HydrophobicContact CE2-CE2 4.09Å; F987-F1141 HydrophobicContact CZ-CD1 4.41Å; F987-F1141 HydrophobicContact CZ-CD2 4.01Å; F987-F1141 HydrophobicContact CZ-CE1 4.48Å; F987-F1141 HydrophobicContact CZ-CE2 4.09Å; F987-F1141 HydrophobicContact CZ-CG 4.22Å; F987-F1141 HydrophobicContact CZ-CZ 4.36Å
988G67.3Low79.6Confident8 Ų852.5 Ų52.58%0.08229%0.288CS..EExtended strand (participates in β ladder)trans150.9-166.4-165.800000110G985 V1006G985-G988 CarbonylContact C-O 3.45Å; G985-G988 PolarHBondContact N-O 3.39Å; G985-G988 PolarHBondContact O-N 3.15Å; G988-V1006 WeakPolarHBondContact CA-O 3.47Å
989I76Confident80.4Confident8 Ų855.4 Ų55.44%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-139.8135.3-176.3-58.5100.8000108.5R855 V981 G983 S984 V1006R855-I989 HydrophobicContact CG-CD1 4.31Å; R855-I989 HydrophobicContact CG-CG1 4.24Å; R855-I989 HydrophobicContact CG-CG2 4Å; R855-I989 PolarHBondContact NH1-O 2.77Å; V981-I989 HydrophobicContact CB-CG2 4.42Å; V981-I989 HydrophobicContact CG1-CG2 3.28Å; V981-I989 HydrophobicContact CG2-CG2 4.29Å; G983-I989 CarbonylContact O-C 3.56Å; G983-I989 WeakPolarHBondContact O-CA 3.29Å; G983-I989 VanDerWaalsContact O-CG2 3.23Å; G983-I989 WeakPolarHBondContact O-CG2 3.4Å; S984-I989 VanDerWaalsContact CB-CG1 3.46Å; I989-V1006 PolarHBondContact N-O 3.09Å; I989-V1006 PolarHBondContact O-N 3.11Å
990V85.3Confident81.2Confident31 Ų3154 Ų5419%0.18828%0.276CS..EExtended strand (participates in β ladder)trans-87.2129-178.6-170.50000109.5V981 L982 G983 A1003 I1004 K1005V981-V990 CarbonylContact C-O 3.51Å; L982-V990 HydrophobicContact CB-CB 4.43Å; L982-V990 HydrophobicContact CB-CG1 4.22Å; L982-V990 HydrophobicContact CD1-CG1 4.27Å; L982-V990 PolarHBondContact N-O 2.91Å; G983-V990 PolarHBondContact N-O 3.22Å; G983-V990 PolarHBondContact O-N 3.06Å; V990-A1003 HydrophobicContact CG1-CB 3.93Å; V990-I1004 WeakPolarHBondContact CA-O 2.99Å; V990-K1005 HydrophobicContact CG2-CB 4.12Å; V990-K1005 HydrophobicContact CG2-CG 4.05Å
991Y89Confident81.7Confident38 Ų3856.7 Ų56.715%0.14929%0.289CS..EExtended strand (participates in β ladder)trans-106.2153.5170.3-67.4-67.5000110.8R855 I976 F977 P978 E980 V981 A1003 I1004 V1006R855-Y991 PolarHBondContact NE-OH 3.19Å; R855-Y991 PolarHBondContact NH1-OH 2.82Å; I976-Y991 HydrophobicContact CG2-CD2 3.46Å; I976-Y991 VanDerWaalsContact CG2-CD2 3.46Å; I976-Y991 HydrophobicContact CG2-CE2 4.12Å; I976-Y991 HydrophobicContact CG2-CG 3.69Å; F977-Y991 WeakPolarHBondContact O-CD1 3.05Å; P978-Y991 HydrophobicContact CB-CE1 4.37Å; P978-Y991 WeakPolarHBondContact O-CE1 3.4Å; E980-Y991 CarbonylContact O-C 3.52Å; E980-Y991 WeakPolarHBondContact O-CA 3.46Å; V981-Y991 HydrophobicContact CG2-CD1 3.54Å; V981-Y991 HydrophobicContact CG2-CE1 3.45Å; V981-Y991 VanDerWaalsContact CG2-CE1 3.45Å; Y991-A1003 WeakPolarHBondContact O-CA 3.41Å; Y991-I1004 PolarHBondContact N-O 3.28Å; Y991-I1004 PolarHBondContact O-N 2.74Å; Y991-V1006 HydrophobicContact CD2-CB 4.43Å; Y991-V1006 HydrophobicContact CD2-CG2 3.65Å; Y991-V1006 HydrophobicContact CE2-CB 4.4Å; Y991-V1006 HydrophobicContact CE2-CG2 3.93Å
992G91.8Very high82.4Confident0 Ų056.5 Ų56.50%029%0.288CS..EExtended strand (participates in β ladder)trans-71.8162.8156.500000111.4F977 E980F977-G992 PolarHBondContact N-O 3.2Å; E980-G992 PolarHBondContact O-N 2.87Å; E980-G992 WeakPolarHBondContact OE2-CA 3.38Å
993G93.6Very high83.1Confident1 Ų154.2 Ų54.21%0.0128%0.277CS..EExtended strand (participates in β ladder)trans179.8179.2-179.600000112E975 E1001 V1002E975-G993 CarbonylContact O-C 3.53Å; E975-G993 WeakPolarHBondContact O-CA 3.32Å; G993-E1001 CarbonylContact O-C 3.52Å; G993-E1001 WeakPolarHBondContact O-CA 3.39Å; G993-V1002 PolarHBondContact N-O 2.8Å; G993-V1002 VanDerWaalsContact N-O 3.07Å; G993-V1002 PolarHBondContact O-N 3.37Å
994I94.1Very high84Confident29 Ų2952.9 Ų52.915%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-131.6144.1176.556.8173.4000112.2Y974 E975 F977 R996 K999 R1000Y974-I994 WeakPolarHBondContact CA-O 3.29Å; E975-I994 HydrophobicContact CB-CD1 4.49Å; E975-I994 HydrophobicContact CB-CG1 3.82Å; E975-I994 PolarHBondContact N-O 3.36Å; E975-I994 PolarHBondContact O-N 3.25Å; F977-I994 HydrophobicContact CE1-CG1 4.39Å; F977-I994 HydrophobicContact CE2-CG1 4.5Å; F977-I994 HydrophobicContact CE2-CG2 3.94Å; F977-I994 HydrophobicContact CZ-CB 4.36Å; F977-I994 HydrophobicContact CZ-CD1 4.01Å; F977-I994 HydrophobicContact CZ-CG1 3.75Å; F977-I994 HydrophobicContact CZ-CG2 3.91Å; I994-R996 PolarHBondContact O-N 3.49Å; I994-K999 HydrophobicContact CD1-CD 4.41Å; I994-R1000 CarbonylContact C-O 3.51Å; I994-R1000 VanDerWaalsContact CA-O 3.29Å; I994-R1000 WeakPolarHBondContact CA-O 3.35Å
995H94.4Very high84.9Confident23 Ų2350.1 Ų50.111%0.10624%0.242CC..EExtended strand (participates in β ladder)trans-76115.8165.9-177.9-80.3000109.2Y974 K997 T998 K999 R1000 E1039Y974-H995 HydrophobicContact CD1-CB 3.96Å; Y974-H995 HydrophobicContact CE1-CB 3.8Å; Y974-H995 AromaticContact CE1-CD2 3.36Å; Y974-H995 WeakPolarHBondContact CE1-CD2 3.47Å; Y974-H995 AromaticContact CE1-CG 3.93Å; Y974-H995 AromaticContact CZ-CD2 3.54Å; H995-K997 VanDerWaalsContact C-N 3.32Å; H995-K997 PolarHBondContact O-N 2.77Å; H995-K997 VanDerWaalsContact O-N 3.16Å; H995-T998 PolarHBondContact ND1-N 3.11Å; H995-T998 PolarHBondContact ND1-OG1 2.84Å; H995-T998 PolarHBondContact O-N 2.77Å; H995-K999 VanDerWaalsContact O-CA 3.3Å; H995-K999 WeakPolarHBondContact O-CA 3.38Å; H995-K999 PolarHBondContact O-N 2.69Å; H995-R1000 HydrophobicContact CB-CG 3.79Å; H995-R1000 PolarHBondContact N-O 2.94Å; H995-E1039 IonicContact CD2-OE1 3.07Å; H995-E1039 PolarHBondContact CD2-OE1 3.4Å
996R92.3Very high86.2Confident121 Ų12148 Ų4846%0.45722%0.22SC..THydrogen-bonded Turntrans-62.4-32.2-162.3-64.5176.875.6-123.82.2114.3A972 L973 E975 I994 K999A972-R996 PolarHBondContact O-NH1 2.9Å; L973-R996 WeakPolarHBondContact O-CB 3.26Å; L973-R996 WeakPolarHBondContact O-CG 2.78Å; L973-R996 PolarHBondContact O-N 3.3Å; E975-R996 HydrophobicContact CB-CG 4.08Å; I994-R996 PolarHBondContact O-N 3.49Å; R996-K999 WeakPolarHBondContact O-CE 3.48Å
997K90.9Very high87Confident190 Ų19045.4 Ų45.483%0.82621%0.208SC*.THydrogen-bonded Turntrans-79.8-47.5-179.6-173.4-175.3179-177.70113.3H995H995-K997 VanDerWaalsContact C-N 3.32Å; H995-K997 PolarHBondContact O-N 2.77Å; H995-K997 VanDerWaalsContact O-N 3.16Å
998T92.9Very high87.4Confident86 Ų8645.8 Ų45.853%0.52821%0.211SC..THydrogen-bonded Turntrans-94.5-11.1-17350.30000113.1H995 R1000H995-T998 PolarHBondContact ND1-N 3.11Å; H995-T998 PolarHBondContact ND1-OG1 2.84Å; H995-T998 PolarHBondContact O-N 2.77Å; T998-R1000 PolarHBondContact O-N 3.08Å
999K92.2Very high87.5Confident136 Ų13648.3 Ų48.359%0.59122%0.219SC*.  trans60.27.7-177.4-57.5-61.4-173.7175.80116I994 H995 R996I994-K999 HydrophobicContact CD1-CD 4.41Å; H995-K999 VanDerWaalsContact O-CA 3.3Å; H995-K999 WeakPolarHBondContact O-CA 3.38Å; H995-K999 PolarHBondContact O-N 2.69Å; R996-K999 WeakPolarHBondContact O-CE 3.48Å
1000R91.5Very high86.8Confident123 Ų12350.3 Ų50.346%0.46423%0.23SC..  trans-60.8142.217167.9167164.4-157.1-10.7111.1I994 H995 T998 V1002 E1039I994-R1000 CarbonylContact C-O 3.51Å; I994-R1000 VanDerWaalsContact CA-O 3.29Å; I994-R1000 WeakPolarHBondContact CA-O 3.35Å; H995-R1000 HydrophobicContact CB-CG 3.79Å; H995-R1000 PolarHBondContact N-O 2.94Å; T998-R1000 PolarHBondContact O-N 3.08Å; R1000-V1002 HydrophobicContact CG-CG1 4.31Å; R1000-E1039 IonicContact CZ-OE1 3.73Å; R1000-E1039 IonicContact CZ-OE2 3.92Å; R1000-E1039 VanDerWaalsContact NE-CD 3.34Å; R1000-E1039 IonicContact NE-OE1 2.69Å; R1000-E1039 PolarHBondContact NE-OE1 3.05Å; R1000-E1039 VanDerWaalsContact NE-OE1 3.11Å; R1000-E1039 IonicContact NE-OE2 2.66Å; R1000-E1039 PolarHBondContact NE-OE2 3.39Å; R1000-E1039 IonicContact NH1-OE2 3.33Å; R1000-E1039 IonicContact NH2-OE1 2.87Å; R1000-E1039 PolarHBondContact NH2-OE1 3.21Å; R1000-E1039 IonicContact NH2-OE2 2.71Å; R1000-E1039 PolarHBondContact NH2-OE2 2.98Å
1001E93.8Very high85.2Confident113 Ų11352.3 Ų52.353%0.52823%0.234SC..EExtended strand (participates in β ladder)trans-70.6148.1168.4-60.8-163.8169.100111.4G993 K1054G993-E1001 CarbonylContact O-C 3.52Å; G993-E1001 WeakPolarHBondContact O-CA 3.39Å; E1001-K1054 HydrophobicContact CB-CB 4.05Å; E1001-K1054 HydrophobicContact CB-CD 4.09Å; E1001-K1054 WeakPolarHBondContact OE2-CD 3.32Å; E1001-K1054 IonicContact OE2-NZ 2.81Å; E1001-K1054 PolarHBondContact OE2-NZ 3.41Å
1002V94.9Very high83.3Confident0 Ų051.9 Ų51.90%023%0.233CC..EExtended strand (participates in β ladder)trans-142.5152.2179.8-66.40000111.4Y974 G993 R1000 I1004 E1039 V1051 M1052Y974-V1002 HydrophobicContact CD1-CG1 4.46Å; Y974-V1002 HydrophobicContact CD1-CG2 3.9Å; Y974-V1002 HydrophobicContact CE1-CG1 4.21Å; Y974-V1002 HydrophobicContact CE1-CG2 4.42Å; G993-V1002 PolarHBondContact N-O 2.8Å; G993-V1002 VanDerWaalsContact N-O 3.07Å; G993-V1002 PolarHBondContact O-N 3.37Å; R1000-V1002 HydrophobicContact CG-CG1 4.31Å; V1002-I1004 HydrophobicContact CG2-CD1 3.73Å; V1002-I1004 HydrophobicContact CG2-CG1 3.87Å; V1002-E1039 VanDerWaalsContact CG1-OE2 3.27Å; V1002-E1039 WeakPolarHBondContact CG1-OE2 3.29Å; V1002-V1051 HydrophobicContact CB-CG1 3.95Å; V1002-V1051 HydrophobicContact CG1-CG1 4.1Å; V1002-V1051 HydrophobicContact CG2-CG1 4.24Å; V1002-M1052 CarbonylContact C-O 3.58Å; V1002-M1052 WeakPolarHBondContact CA-O 3.47Å; V1002-M1052 WeakPolarHBondContact CB-O 3.47Å
1003A94.8Very high81.2Confident9 Ų956.9 Ų56.97%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-102128.5169.800000109.4L982 V990 Y991 M1052 K1054L982-A1003 HydrophobicContact CD1-CB 3.99Å; V990-A1003 HydrophobicContact CG1-CB 3.93Å; Y991-A1003 WeakPolarHBondContact O-CA 3.41Å; A1003-M1052 PolarHBondContact N-O 3.38Å; A1003-M1052 PolarHBondContact O-N 3.18Å; A1003-K1054 HydrophobicContact CB-CB 4.5Å
1004I91.1Very high79.2Confident0 Ų062.4 Ų62.40%030%0.299CS..EExtended strand (participates in β ladder)trans-122.899-171.5-56.3175.6000109.7Y974 I976 V990 Y991 V1002 V1006 F1049 V1050 V1051Y974-I1004 HydrophobicContact CG-CD1 4.5Å; I976-I1004 HydrophobicContact CD1-CG2 4.25Å; I976-I1004 HydrophobicContact CG1-CD1 3.72Å; I976-I1004 HydrophobicContact CG1-CG2 4.42Å; V990-I1004 WeakPolarHBondContact CA-O 2.99Å; Y991-I1004 PolarHBondContact N-O 3.28Å; Y991-I1004 PolarHBondContact O-N 2.74Å; V1002-I1004 HydrophobicContact CG2-CD1 3.73Å; V1002-I1004 HydrophobicContact CG2-CG1 3.87Å; I1004-V1006 HydrophobicContact CG2-CG2 4.06Å; I1004-V1006 PolarHBondContact O-N 3.03Å; I1004-F1049 HydrophobicContact CG2-CB 4.42Å; I1004-F1049 HydrophobicContact CG2-CD1 4.21Å; I1004-V1050 CarbonylContact C-O 3.48Å; I1004-V1050 WeakPolarHBondContact CA-O 3.34Å; I1004-V1051 HydrophobicContact CG1-CG1 4.24Å; I1004-V1051 HydrophobicContact CG1-CG2 4.29Å; I1004-V1051 HydrophobicContact CG2-CG2 4.45Å
1005K85.9Confident77.1Confident12 Ų1270.3 Ų70.35%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-74.4109.7175.3-166.1-177.2-165.9-176.80108.7V990 I1007 E1023 F1049 V1050 M1052 D1138V990-K1005 HydrophobicContact CG2-CB 4.12Å; V990-K1005 HydrophobicContact CG2-CG 4.05Å; K1005-I1007 HydrophobicContact CD-CD1 4.34Å; K1005-I1007 HydrophobicContact CG-CG1 4.28Å; K1005-E1023 IonicContact NZ-OE1 3.47Å; K1005-E1023 PolarHBondContact NZ-OE1 3.19Å; K1005-E1023 IonicContact NZ-OE2 3.37Å; K1005-E1023 PolarHBondContact NZ-OE2 3.36Å; K1005-F1049 WeakPolarHBondContact O-CA 3.29Å; K1005-V1050 HydrophobicContact CB-CB 3.96Å; K1005-V1050 HydrophobicContact CB-CG2 4.08Å; K1005-V1050 HydrophobicContact CD-CG2 4.29Å; K1005-V1050 PolarHBondContact N-O 3.47Å; K1005-V1050 PolarHBondContact O-N 3.42Å; K1005-M1052 HydrophobicContact CB-CE 4.24Å; K1005-D1138 IonicContact NZ-OD1 3.19Å; K1005-D1138 PolarHBondContact NZ-OD1 3.5Å
1006V83.8Confident75Confident5 Ų573.5 Ų73.53%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-100114179.1-175.40000109.9G988 I989 Y991 I1004 F1049G988-V1006 WeakPolarHBondContact CA-O 3.47Å; I989-V1006 PolarHBondContact N-O 3.09Å; I989-V1006 PolarHBondContact O-N 3.11Å; Y991-V1006 HydrophobicContact CD2-CB 4.43Å; Y991-V1006 HydrophobicContact CD2-CG2 3.65Å; Y991-V1006 HydrophobicContact CE2-CB 4.4Å; Y991-V1006 HydrophobicContact CE2-CG2 3.93Å; I1004-V1006 HydrophobicContact CG2-CG2 4.06Å; I1004-V1006 PolarHBondContact O-N 3.03Å; V1006-F1049 HydrophobicContact CG1-CD1 4.27Å; V1006-F1049 HydrophobicContact CG1-CE1 3.95Å; V1006-F1049 HydrophobicContact CG1-CZ 4.44Å; V1006-F1049 HydrophobicContact CG2-CD1 3.74Å; V1006-F1049 HydrophobicContact CG2-CE1 3.92Å
1007I72.4Confident73.2Confident3 Ų371.7 Ų71.72%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-108.5128.3-177.8-56.9176.9000108.7F987 K1005 F1012 L1020 R1047 V1048 V1050F987-I1007 WeakPolarHBondContact O-CG1 3.48Å; F987-I1007 WeakPolarHBondContact O-CG2 3.43Å; K1005-I1007 HydrophobicContact CD-CD1 4.34Å; K1005-I1007 HydrophobicContact CG-CG1 4.28Å; I1007-F1012 HydrophobicContact CG2-CD2 4.09Å; I1007-F1012 HydrophobicContact CG2-CE2 3.97Å; I1007-L1020 HydrophobicContact CB-CD1 4.22Å; I1007-L1020 HydrophobicContact CD1-CD1 4.16Å; I1007-L1020 HydrophobicContact CD1-CD2 4.11Å; I1007-L1020 HydrophobicContact CD1-CG 3.87Å; I1007-L1020 HydrophobicContact CG2-CD1 3.42Å; I1007-L1020 VanDerWaalsContact CG2-CD1 3.42Å; I1007-L1020 HydrophobicContact CG2-CG 4.25Å; I1007-R1047 CarbonylContact O-C 3.45Å; I1007-R1047 WeakPolarHBondContact O-CA 3.35Å; I1007-R1047 WeakPolarHBondContact O-CB 3.37Å; I1007-V1048 HydrophobicContact CB-CB 4.37Å; I1007-V1048 PolarHBondContact N-O 2.82Å; I1007-V1048 PolarHBondContact O-N 3.05Å; I1007-V1050 HydrophobicContact CD1-CG2 4.19Å
1008D68.2Low71.6Confident26 Ų2665.7 Ų65.714%0.13933%0.326CS..EExtended strand (participates in β ladder)trans-97110178.3-153.2-53.6000110.5L1010 R1011 F1012 R1047D1008-L1010 PolarHBondContact O-N 3.43Å; D1008-L1010 WeakPolarHBondContact OD1-CB 3.08Å; D1008-L1010 PolarHBondContact OD1-N 3.48Å; D1008-R1011 HydrophobicContact CB-CB 4.3Å; D1008-R1011 WeakPolarHBondContact O-CB 3.43Å; D1008-R1011 PolarHBondContact O-N 2.9Å; D1008-F1012 WeakPolarHBondContact O-CD2 3.38Å; D1008-F1012 WeakPolarHBondContact O-CE2 3.47Å; D1008-R1047 HydrophobicContact CB-CG 4.49Å; D1008-R1047 IonicContact OD2-CZ 2.87Å; D1008-R1047 IonicContact OD2-NE 2.67Å; D1008-R1047 PolarHBondContact OD2-NE 3.23Å; D1008-R1047 IonicContact OD2-NH2 3.32Å; D1008-R1047 PolarHBondContact OD2-NH2 2.98Å; D1008-R1047 VanDerWaalsContact OD2-NH2 3.13Å
1009K68.4Low69.9Low60 Ų6064.3 Ų64.326%0.26131%0.314SS..G310 helixtrans-58.2-34.2-176.8-68.5-179.8166.5-177.50111.8R1011 F1012 E1043 T1044 K1046 V1048K1009-R1011 PolarHBondContact O-N 3.4Å; K1009-F1012 PolarHBondContact O-N 2.89Å; K1009-E1043 WeakPolarHBondContact CE-OE1 3.37Å; K1009-E1043 IonicContact NZ-OE1 3.84Å; K1009-E1043 PolarHBondContact NZ-OE1 3.25Å; K1009-T1044 WeakPolarHBondContact CE-O 3.32Å; K1009-T1044 PolarHBondContact NZ-O 3.27Å; K1009-K1046 WeakPolarHBondContact CB-O 3.24Å; K1009-K1046 PolarHBondContact N-O 2.96Å; K1009-V1048 HydrophobicContact CG-CG2 4.25Å
1010L61Low68.4Low51 Ų5159 Ų5927%0.26729%0.292SS..G310 helixtrans-67.2-20.8-178.3-59.2167.6000111.9Q859 S861 D1008 F1012 K1046Q859-L1010 VanDerWaalsContact CD-C 3.46Å; Q859-L1010 PolarHBondContact NE2-O 3.49Å; Q859-L1010 PolarHBondContact OE1-O 3.43Å; S861-L1010 WeakPolarHBondContact OG-CD1 3.49Å; S861-L1010 WeakPolarHBondContact OG-CD2 3.43Å; D1008-L1010 PolarHBondContact O-N 3.43Å; D1008-L1010 WeakPolarHBondContact OD1-CB 3.08Å; D1008-L1010 PolarHBondContact OD1-N 3.48Å; L1010-F1012 VanDerWaalsContact C-N 3.35Å; L1010-K1046 HydrophobicContact CD1-CB 4.28Å; L1010-K1046 HydrophobicContact CD1-CD 4.16Å; L1010-K1046 HydrophobicContact CD1-CG 4.06Å
1011R52Low67.1Low73 Ų7356 Ų5628%0.27528%0.282SS..G310 helixtrans-82.7-10.2-178.8-159.8166.6-164.9-163.54.5113.6S857 Q859 D1008 K1009S857-R1011 PolarHBondContact OG-NE 3.32Å; Q859-R1011 HydrophobicContact CG-CB 3.75Å; Q859-R1011 HydrophobicContact CG-CG 3.58Å; Q859-R1011 VanDerWaalsContact OE1-N 3.17Å; D1008-R1011 HydrophobicContact CB-CB 4.3Å; D1008-R1011 WeakPolarHBondContact O-CB 3.43Å; D1008-R1011 PolarHBondContact O-N 2.9Å; K1009-R1011 PolarHBondContact O-N 3.4Å
1012F49.8Very low65.8Low29 Ų2952.6 Ų52.613%0.12727%0.268CS..SBendtrans-134.2100.1-170.8-55.2-60000111Q986 F987 I1007 D1008 K1009 L1010 R1016Q986-F1012 WeakPolarHBondContact O-CE1 3.46Å; Q986-F1012 WeakPolarHBondContact O-CZ 3.37Å; F987-F1012 VanDerWaalsContact O-CE2 3.23Å; F987-F1012 WeakPolarHBondContact O-CE2 3.47Å; I1007-F1012 HydrophobicContact CG2-CD2 4.09Å; I1007-F1012 HydrophobicContact CG2-CE2 3.97Å; D1008-F1012 WeakPolarHBondContact O-CD2 3.38Å; D1008-F1012 WeakPolarHBondContact O-CE2 3.47Å; K1009-F1012 PolarHBondContact O-N 2.89Å; L1010-F1012 VanDerWaalsContact C-N 3.35Å; F1012-R1016 HydrophobicContact CB-CB 3.93Å
1013P47.2Very low64.5Low104 Ų10452.9 Ų52.968%0.67527%0.269SS*.  trans-58.9143.1177.1-23.534000112.3K1015 R1016P1013-K1015 VanDerWaalsContact C-N 3.28Å; P1013-K1015 PolarHBondContact O-N 2.86Å; P1013-R1016 PolarHBondContact O-N 3.35Å
1014T51.2Low63.3Low117 Ų11753.1 Ų53.172%0.71827%0.269SS*.G310 helixtrans-6.4-52.7178.536.90000118.7R1016 E1017T1014-R1016 PolarHBondContact O-N 2.85Å; T1014-R1016 VanDerWaalsContact O-N 3.11Å; T1014-E1017 VanDerWaalsContact O-CB 3.28Å; T1014-E1017 WeakPolarHBondContact O-CB 3.46Å; T1014-E1017 PolarHBondContact O-N 3.49Å
1015K50.9Low62.4Low196 Ų19655.6 Ų55.685%0.85229%0.287SS*.G310 helixtrans-56.1-27.1178.5-81.5-166.5173.1-173.30115.1P1013P1013-K1015 VanDerWaalsContact C-N 3.28Å; P1013-K1015 PolarHBondContact O-N 2.86Å
1016R49.2Very low62Low90 Ų9055.2 Ų55.234%0.3429%0.285SS..G310 helixtrans-89.4-13.3177.2-74.8-169.5-177.1-174.6-0.6114.1F1012 P1013 T1014 A1018 Q1019 L1020F1012-R1016 HydrophobicContact CB-CB 3.93Å; P1013-R1016 PolarHBondContact O-N 3.35Å; T1014-R1016 PolarHBondContact O-N 2.85Å; T1014-R1016 VanDerWaalsContact O-N 3.11Å; R1016-A1018 PolarHBondContact O-N 2.91Å; R1016-Q1019 WeakPolarHBondContact O-CB 3.45Å; R1016-Q1019 PolarHBondContact O-N 3.22Å; R1016-Q1019 VanDerWaalsContact O-N 3.12Å; R1016-L1020 PolarHBondContact O-N 3.32Å; R1016-L1020 VanDerWaalsContact O-N 3.07Å
1017E54.9Low61.6Low83 Ų8355.2 Ų55.239%0.38829%0.285SS..Hα-helixtrans-61.7-35.5173.4-163.3-173.6131.200110.7T1014 L1020 K1021T1014-E1017 VanDerWaalsContact O-CB 3.28Å; T1014-E1017 WeakPolarHBondContact O-CB 3.46Å; T1014-E1017 PolarHBondContact O-N 3.49Å; E1017-L1020 PolarHBondContact O-N 3.2Å; E1017-K1021 HydrophobicContact CG-CD 4.4Å; E1017-K1021 WeakPolarHBondContact O-CB 3.25Å; E1017-K1021 WeakPolarHBondContact O-CG 3.33Å; E1017-K1021 PolarHBondContact O-N 3.46Å; E1017-K1021 VanDerWaalsContact OE1-CE 3.25Å; E1017-K1021 WeakPolarHBondContact OE1-CE 3.37Å; E1017-K1021 IonicContact OE1-NZ 2.76Å; E1017-K1021 PolarHBondContact OE1-NZ 3.06Å
1018A57.6Low61.8Low64 Ų6460.6 Ų60.653%0.52931%0.305SS..Hα-helixtrans-60.7-42.3171.500000113R1016 L1020 K1021 N1022R1016-A1018 PolarHBondContact O-N 2.91Å; A1018-L1020 VanDerWaalsContact C-N 3.34Å; A1018-K1021 PolarHBondContact O-N 3.13Å; A1018-N1022 WeakPolarHBondContact O-CB 3.45Å; A1018-N1022 PolarHBondContact O-N 2.93Å
1019Q57.9Low62.4Low56 Ų5665.2 Ų65.226%0.26233%0.33SS..Hα-helixtrans-64.4-40.5175.8-69.1-177.8-34.200111.7R1016 N1022 E1023R1016-Q1019 WeakPolarHBondContact O-CB 3.45Å; R1016-Q1019 PolarHBondContact O-N 3.22Å; R1016-Q1019 VanDerWaalsContact O-N 3.12Å; Q1019-N1022 PolarHBondContact O-N 3Å; Q1019-E1023 PolarHBondContact O-N 2.78Å
1020L60.4Low63.3Low25 Ų2563 Ų6313%0.13132%0.321CS..Hα-helixtrans-63-54.1176.3-154.4175.6000109.9I1007 R1016 E1017 A1018 N1022 E1023 V1024 V1048I1007-L1020 HydrophobicContact CB-CD1 4.22Å; I1007-L1020 HydrophobicContact CD1-CD1 4.16Å; I1007-L1020 HydrophobicContact CD1-CD2 4.11Å; I1007-L1020 HydrophobicContact CD1-CG 3.87Å; I1007-L1020 HydrophobicContact CG2-CD1 3.42Å; I1007-L1020 VanDerWaalsContact CG2-CD1 3.42Å; I1007-L1020 HydrophobicContact CG2-CG 4.25Å; R1016-L1020 PolarHBondContact O-N 3.32Å; R1016-L1020 VanDerWaalsContact O-N 3.07Å; E1017-L1020 PolarHBondContact O-N 3.2Å; A1018-L1020 VanDerWaalsContact C-N 3.34Å; L1020-N1022 PolarHBondContact O-N 3.13Å; L1020-E1023 WeakPolarHBondContact O-CB 3.47Å; L1020-E1023 PolarHBondContact O-N 2.92Å; L1020-V1024 HydrophobicContact CD2-CG2 4.01Å; L1020-V1024 WeakPolarHBondContact O-CG2 3.39Å; L1020-V1024 PolarHBondContact O-N 3.16Å; L1020-V1048 HydrophobicContact CD1-CB 4.34Å; L1020-V1048 HydrophobicContact CD1-CG2 3.9Å; L1020-V1048 HydrophobicContact CD2-CB 4.13Å; L1020-V1048 HydrophobicContact CD2-CG1 3.97Å; L1020-V1048 HydrophobicContact CD2-CG2 4.02Å
1021K64.5Low64.5Low59 Ų5967.2 Ų67.226%0.25734%0.344SS..Hα-helixtrans-52.2-37.2174.4-78171.4169.2168.30112.4E1017 A1018 V1024 S1025E1017-K1021 HydrophobicContact CG-CD 4.4Å; E1017-K1021 WeakPolarHBondContact O-CB 3.25Å; E1017-K1021 WeakPolarHBondContact O-CG 3.33Å; E1017-K1021 PolarHBondContact O-N 3.46Å; E1017-K1021 VanDerWaalsContact OE1-CE 3.25Å; E1017-K1021 WeakPolarHBondContact OE1-CE 3.37Å; E1017-K1021 IonicContact OE1-NZ 2.76Å; E1017-K1021 PolarHBondContact OE1-NZ 3.06Å; A1018-K1021 PolarHBondContact O-N 3.13Å; K1021-V1024 WeakPolarHBondContact O-CB 3.23Å; K1021-V1024 PolarHBondContact O-N 3.15Å; K1021-S1025 WeakPolarHBondContact O-CB 3.23Å; K1021-S1025 PolarHBondContact O-N 2.94Å; K1021-S1025 PolarHBondContact O-OG 3.28Å
1022N66.1Low66.4Low43 Ų4364.9 Ų64.923%0.2334%0.336CS..Hα-helixtrans-73.2-37.817717186.1000113.6A1018 Q1019 L1020 V1024 S1025 I1026 A1142A1018-N1022 WeakPolarHBondContact O-CB 3.45Å; A1018-N1022 PolarHBondContact O-N 2.93Å; Q1019-N1022 PolarHBondContact O-N 3Å; L1020-N1022 PolarHBondContact O-N 3.13Å; N1022-V1024 PolarHBondContact O-N 2.9Å; N1022-S1025 WeakPolarHBondContact CA-OG 3.3Å; N1022-S1025 PolarHBondContact O-N 2.95Å; N1022-S1025 PolarHBondContact O-OG 2.99Å; N1022-I1026 VanDerWaalsContact O-CB 3.3Å; N1022-I1026 WeakPolarHBondContact O-CB 3.42Å; N1022-I1026 VanDerWaalsContact O-CG1 3.26Å; N1022-I1026 WeakPolarHBondContact O-CG1 3.41Å; N1022-I1026 PolarHBondContact O-N 3.21Å; N1022-A1142 PolarHBondContact ND2-O 3.5Å
1023E67.9Low68.4Low5 Ų565.7 Ų65.72%0.02334%0.344CS..Hα-helixtrans-58.7-41.2168.4-172.7176.1178.200110.4K1005 Q1019 L1020 L1027 F1139K1005-E1023 IonicContact NZ-OE1 3.47Å; K1005-E1023 PolarHBondContact NZ-OE1 3.19Å; K1005-E1023 IonicContact NZ-OE2 3.37Å; K1005-E1023 PolarHBondContact NZ-OE2 3.36Å; Q1019-E1023 PolarHBondContact O-N 2.78Å; L1020-E1023 WeakPolarHBondContact O-CB 3.47Å; L1020-E1023 PolarHBondContact O-N 2.92Å; E1023-L1027 HydrophobicContact CG-CD1 3.93Å; E1023-L1027 WeakPolarHBondContact O-CB 3.31Å; E1023-L1027 WeakPolarHBondContact O-CG 3.39Å; E1023-L1027 PolarHBondContact O-N 2.82Å; E1023-F1139 HydrophobicContact CG-CB 4.17Å
1024V68Low70.6Confident14 Ų1461 Ų619%0.08531%0.314CS..Hα-helixtrans-64.6-51.3176.1-166.90000112.3L1020 K1021 N1022 I1026 L1027 R1028 M1041L1020-V1024 HydrophobicContact CD2-CG2 4.01Å; L1020-V1024 WeakPolarHBondContact O-CG2 3.39Å; L1020-V1024 PolarHBondContact O-N 3.16Å; K1021-V1024 WeakPolarHBondContact O-CB 3.23Å; K1021-V1024 PolarHBondContact O-N 3.15Å; N1022-V1024 PolarHBondContact O-N 2.9Å; V1024-I1026 VanDerWaalsContact C-N 3.33Å; V1024-I1026 PolarHBondContact O-N 3.35Å; V1024-L1027 PolarHBondContact O-N 3.45Å; V1024-R1028 HydrophobicContact CG1-CG 4.29Å; V1024-R1028 VanDerWaalsContact CG1-NE 3.35Å; V1024-R1028 WeakPolarHBondContact O-CB 3.12Å; V1024-R1028 VanDerWaalsContact O-CG 3.28Å; V1024-R1028 WeakPolarHBondContact O-CG 3.46Å; V1024-R1028 PolarHBondContact O-N 3.31Å; V1024-M1041 HydrophobicContact CB-CE 4.04Å; V1024-M1041 HydrophobicContact CB-SD 4.09Å; V1024-M1041 HydrophobicContact CG1-CE 3.74Å; V1024-M1041 HydrophobicContact CG1-SD 3.46Å; V1024-M1041 WeakPolarHBondContact CG1-SD 3.48Å; V1024-M1041 HydrophobicContact CG2-CE 3.37Å; V1024-M1041 HydrophobicContact CG2-SD 3.45Å; V1024-M1041 WeakPolarHBondContact CG2-SD 3.14Å
1025S72.6Confident72.7Confident53 Ų5355.6 Ų55.637%0.37128%0.281SS..Hα-helixtrans-69.2-32.9-173.565.20000112.1K1021 N1022 N1029K1021-S1025 WeakPolarHBondContact O-CB 3.23Å; K1021-S1025 PolarHBondContact O-N 2.94Å; K1021-S1025 PolarHBondContact O-OG 3.28Å; N1022-S1025 WeakPolarHBondContact CA-OG 3.3Å; N1022-S1025 PolarHBondContact O-N 2.95Å; N1022-S1025 PolarHBondContact O-OG 2.99Å; S1025-N1029 PolarHBondContact O-ND2 3.06Å
1026I77.9Confident74.7Confident3 Ų346.5 Ų46.52%0.01524%0.242CC..Hα-helixtrans-65.6-63.3170.2-70.6171.5000109.2N1022 V1024 R1028 N1029 L1030 I1095 F1139 A1142N1022-I1026 VanDerWaalsContact O-CB 3.3Å; N1022-I1026 WeakPolarHBondContact O-CB 3.42Å; N1022-I1026 VanDerWaalsContact O-CG1 3.26Å; N1022-I1026 WeakPolarHBondContact O-CG1 3.41Å; N1022-I1026 PolarHBondContact O-N 3.21Å; V1024-I1026 VanDerWaalsContact C-N 3.33Å; V1024-I1026 PolarHBondContact O-N 3.35Å; I1026-R1028 VanDerWaalsContact C-N 3.27Å; I1026-R1028 PolarHBondContact O-N 3.37Å; I1026-R1028 VanDerWaalsContact O-N 3.15Å; I1026-N1029 PolarHBondContact O-N 3.42Å; I1026-L1030 HydrophobicContact CG2-CD1 3.71Å; I1026-L1030 HydrophobicContact CG2-CG 4.19Å; I1026-L1030 WeakPolarHBondContact O-CG 3.31Å; I1026-L1030 PolarHBondContact O-N 3.06Å; I1026-I1095 HydrophobicContact CG2-CD1 4.17Å; I1026-I1095 HydrophobicContact CG2-CG2 4.18Å; I1026-F1139 HydrophobicContact CG2-CD1 3.85Å; I1026-F1139 HydrophobicContact CG2-CG 4.46Å; I1026-A1142 HydrophobicContact CD1-CB 3.87Å
1027L74.9Confident76.6Confident5 Ų546.2 Ų46.23%0.02625%0.247CC..Hα-helixtrans-59-32.7-172-77.2173.8000114E1023 V1024 N1029 L1030 V1036 L1038 F1139E1023-L1027 HydrophobicContact CG-CD1 3.93Å; E1023-L1027 WeakPolarHBondContact O-CB 3.31Å; E1023-L1027 WeakPolarHBondContact O-CG 3.39Å; E1023-L1027 PolarHBondContact O-N 2.82Å; V1024-L1027 PolarHBondContact O-N 3.45Å; L1027-N1029 PolarHBondContact O-N 3.11Å; L1027-L1030 HydrophobicContact CD2-CD1 4.45Å; L1027-L1030 PolarHBondContact O-N 3.07Å; L1027-V1036 HydrophobicContact CD2-CG1 4.39Å; L1027-L1038 HydrophobicContact CB-CB 4.2Å; L1027-L1038 HydrophobicContact CB-CD2 3.81Å; L1027-F1139 HydrophobicContact CD2-CB 4.44Å; L1027-F1139 HydrophobicContact CD2-CD2 3.56Å; L1027-F1139 HydrophobicContact CD2-CE2 3.95Å; L1027-F1139 HydrophobicContact CD2-CG 4.02Å; L1027-F1139 HydrophobicContact CG-CB 4.27Å; L1027-F1139 HydrophobicContact CG-CD2 4.28Å; L1027-F1139 HydrophobicContact CG-CG 4.37Å
1028R77.4Confident78.1Confident117 Ų11743.6 Ų43.644%0.44224%0.236SC..Hα-helixtrans-59.9-27.8175.1-80179.2-176.8175.27.2113.9V1024 I1026 L1038V1024-R1028 HydrophobicContact CG1-CG 4.29Å; V1024-R1028 VanDerWaalsContact CG1-NE 3.35Å; V1024-R1028 WeakPolarHBondContact O-CB 3.12Å; V1024-R1028 VanDerWaalsContact O-CG 3.28Å; V1024-R1028 WeakPolarHBondContact O-CG 3.46Å; V1024-R1028 PolarHBondContact O-N 3.31Å; I1026-R1028 VanDerWaalsContact C-N 3.27Å; I1026-R1028 PolarHBondContact O-N 3.37Å; I1026-R1028 VanDerWaalsContact O-N 3.15Å; R1028-L1038 HydrophobicContact CG-CD2 3.88Å
1029N80Confident79.5Confident123 Ų12342.5 Ų42.566%0.65822%0.219SC*.THydrogen-bonded Turntrans-102.85.4-176.4-65.4-40.2000112.7S1025 I1026 L1027S1025-N1029 PolarHBondContact O-ND2 3.06Å; I1026-N1029 PolarHBondContact O-N 3.42Å; L1027-N1029 PolarHBondContact O-N 3.11Å
1030L86.9Confident80.7Confident14 Ų1444 Ų447%0.07322%0.223CC..  trans-101.4127.8176.4-56.2-174.2000111.3I1026 L1027 V1035 Y1089 L1090 I1095 F1139I1026-L1030 HydrophobicContact CG2-CD1 3.71Å; I1026-L1030 HydrophobicContact CG2-CG 4.19Å; I1026-L1030 WeakPolarHBondContact O-CG 3.31Å; I1026-L1030 PolarHBondContact O-N 3.06Å; L1027-L1030 HydrophobicContact CD2-CD1 4.45Å; L1027-L1030 PolarHBondContact O-N 3.07Å; L1030-V1035 HydrophobicContact CB-CG1 4.27Å; L1030-V1035 HydrophobicContact CD1-CG1 4.02Å; L1030-Y1089 HydrophobicContact CB-CE1 4.33Å; L1030-Y1089 HydrophobicContact CD2-CE1 3.79Å; L1030-L1090 HydrophobicContact CD1-CD2 3.58Å; L1030-L1090 HydrophobicContact CD2-CD2 3.93Å; L1030-L1090 HydrophobicContact CG-CD2 4.41Å; L1030-I1095 HydrophobicContact CD2-CD1 3.64Å; L1030-F1139 HydrophobicContact CD1-CD1 4.12Å; L1030-F1139 HydrophobicContact CD1-CE1 3.62Å; L1030-F1139 HydrophobicContact CD1-CZ 3.9Å
1031N86.7Confident81.8Confident138 Ų13843.6 Ų43.674%0.73822%0.221SC*.  trans-143.2101.5169.2-178.68.4000107.4Y1089N1031-Y1089 PolarHBondContact N-OH 3.44Å; N1031-Y1089 WeakPolarHBondContact O-CE2 3.37Å; N1031-Y1089 PolarHBondContact O-OH 3.45Å
1032H91.7Very high82.7Confident25 Ų2541.3 Ų41.312%0.11621%0.21CC..  trans-155.4136.4179.3-179.9-101.2000109.2G1034 V1035 Y1089H1032-G1034 PolarHBondContact ND1-N 2.81Å; H1032-G1034 PolarHBondContact O-N 3.22Å; H1032-G1034 VanDerWaalsContact O-N 3.1Å; H1032-V1035 HydrophobicContact CB-CB 4.36Å; H1032-V1035 HydrophobicContact CB-CG2 4.14Å; H1032-V1035 PolarHBondContact O-N 3.24Å; H1032-Y1089 HydrophobicContact CB-CD1 3.57Å; H1032-Y1089 HydrophobicContact CB-CD2 3.91Å; H1032-Y1089 HydrophobicContact CB-CE1 3.61Å; H1032-Y1089 HydrophobicContact CB-CE2 3.94Å; H1032-Y1089 HydrophobicContact CB-CG 3.74Å; H1032-Y1089 AromaticContact CD2-CD2 3.75Å; H1032-Y1089 AromaticContact CD2-CG 3.72Å; H1032-Y1089 AromaticContact CG-CD1 3.9Å; H1032-Y1089 AromaticContact CG-CG 3.69Å
1033P91.6Very high83.4Confident46 Ų4642.4 Ų42.430%0.29921%0.214SC..THydrogen-bonded Turntrans-58.5-28.9-176.4-27.636.5000114.6V1035 Q1133 K1135 F1272P1033-V1035 VanDerWaalsContact C-N 3.33Å; P1033-Q1133 PolarHBondContact O-NE2 2.65Å; P1033-K1135 VanDerWaalsContact O-CE 3.25Å; P1033-K1135 WeakPolarHBondContact O-CE 3.47Å; P1033-K1135 WeakPolarHBondContact O-CG 3.34Å; P1033-F1272 HydrophobicContact CB-CD2 3.67Å; P1033-F1272 HydrophobicContact CB-CE1 4.45Å; P1033-F1272 HydrophobicContact CB-CE2 3.48Å; P1033-F1272 VanDerWaalsContact CB-CE2 3.48Å; P1033-F1272 HydrophobicContact CB-CG 4.27Å; P1033-F1272 HydrophobicContact CB-CZ 3.91Å; P1033-F1272 HydrophobicContact CG-CB 4.33Å; P1033-F1272 HydrophobicContact CG-CD1 4.22Å; P1033-F1272 HydrophobicContact CG-CD2 3.69Å; P1033-F1272 HydrophobicContact CG-CE1 4.46Å; P1033-F1272 HydrophobicContact CG-CE2 4Å; P1033-F1272 HydrophobicContact CG-CG 3.84Å; P1033-F1272 HydrophobicContact CG-CZ 4.38Å
1034G94.8Very high83.9Confident4 Ų444.2 Ų44.24%0.04123%0.226CC..THydrogen-bonded Turntrans-86.613.817600000115.8H1032 A1086 I1134 K1135 L1136H1032-G1034 PolarHBondContact ND1-N 2.81Å; H1032-G1034 PolarHBondContact O-N 3.22Å; H1032-G1034 VanDerWaalsContact O-N 3.1Å; G1034-A1086 WeakPolarHBondContact O-CB 3.26Å; G1034-I1134 WeakPolarHBondContact CA-O 3.34Å; G1034-K1135 WeakPolarHBondContact O-CA 2.91Å; G1034-L1136 PolarHBondContact O-N 3.09Å
1035V94.6Very high84.2Confident5 Ų549.6 Ų49.63%0.0326%0.261CS..BIsolated β-bridgetrans-126.6142.6177.1175.30000108.6L1030 H1032 P1033 N1037 L1090 F1139L1030-V1035 HydrophobicContact CB-CG1 4.27Å; L1030-V1035 HydrophobicContact CD1-CG1 4.02Å; H1032-V1035 HydrophobicContact CB-CB 4.36Å; H1032-V1035 HydrophobicContact CB-CG2 4.14Å; H1032-V1035 PolarHBondContact O-N 3.24Å; P1033-V1035 VanDerWaalsContact C-N 3.33Å; V1035-N1037 PolarHBondContact O-N 3.06Å; V1035-L1090 HydrophobicContact CG2-CD2 4.41Å; V1035-F1139 HydrophobicContact CG1-CE2 3.83Å; V1035-F1139 HydrophobicContact CG1-CZ 3.7Å; V1035-F1139 HydrophobicContact CG2-CZ 4.41Å
1036V92.6Very high84.1Confident5 Ų549.8 Ų49.83%0.0326%0.255CS..  trans-61.7129.3178.269.40000111.2L1027 L1038 M1052 E1053 L1055 L1136 C1137L1027-V1036 HydrophobicContact CD2-CG1 4.39Å; V1036-L1038 PolarHBondContact O-N 3.41Å; V1036-M1052 HydrophobicContact CG1-SD 4.16Å; V1036-M1052 HydrophobicContact CG2-CB 4.06Å; V1036-M1052 HydrophobicContact CG2-SD 4.31Å; V1036-E1053 HydrophobicContact CG2-CG 3.87Å; V1036-L1055 HydrophobicContact CG2-CD1 4.48Å; V1036-L1136 WeakPolarHBondContact CG1-O 3.39Å; V1036-L1136 PolarHBondContact N-O 2.74Å; V1036-C1137 HydrophobicContact CB-CB 4.25Å; V1036-C1137 HydrophobicContact CG1-CB 3.92Å
1037N89.2Confident84.1Confident84 Ų8453 Ų5345%0.44927%0.267SS..  trans-75.6124.8179.6-172.726.9000111.5V1035 E1039 M1052 E1053V1035-N1037 PolarHBondContact O-N 3.06Å; N1037-E1039 PolarHBondContact O-N 3.39Å; N1037-M1052 WeakPolarHBondContact O-CA 3.49Å; N1037-E1053 HydrophobicContact CB-CG 4.4Å; N1037-E1053 VanDerWaalsContact CB-OE1 3.26Å; N1037-E1053 WeakPolarHBondContact CB-OE1 3.05Å; N1037-E1053 PolarHBondContact N-OE1 3.05Å; N1037-E1053 PolarHBondContact O-N 3.37Å
1038L86.7Confident84.3Confident27 Ų2753 Ų5314%0.14127%0.267CS..EExtended strand (participates in β ladder)trans-82.1107.8170.6176.866.1000109.5L1027 R1028 V1036 V1050 M1052L1027-L1038 HydrophobicContact CB-CB 4.2Å; L1027-L1038 HydrophobicContact CB-CD2 3.81Å; R1028-L1038 HydrophobicContact CG-CD2 3.88Å; V1036-L1038 PolarHBondContact O-N 3.41Å; L1038-V1050 HydrophobicContact CD1-CG1 3.39Å; L1038-M1052 HydrophobicContact CD1-CG 4.46Å
1039E86.5Confident84.7Confident41 Ų4148.3 Ų48.319%0.19225%0.25CC..EExtended strand (participates in β ladder)trans-75.7-52.1179.4173.4174173.400111.9Y974 H995 R1000 V1002 N1037 V1051Y974-E1039 WeakPolarHBondContact CE1-OE1 3.38Å; Y974-E1039 VanDerWaalsContact OH-CD 3.31Å; Y974-E1039 PolarHBondContact OH-OE1 3.37Å; H995-E1039 IonicContact CD2-OE1 3.07Å; H995-E1039 PolarHBondContact CD2-OE1 3.4Å; R1000-E1039 IonicContact CZ-OE1 3.73Å; R1000-E1039 IonicContact CZ-OE2 3.92Å; R1000-E1039 VanDerWaalsContact NE-CD 3.34Å; R1000-E1039 IonicContact NE-OE1 2.69Å; R1000-E1039 PolarHBondContact NE-OE1 3.05Å; R1000-E1039 VanDerWaalsContact NE-OE1 3.11Å; R1000-E1039 IonicContact NE-OE2 2.66Å; R1000-E1039 PolarHBondContact NE-OE2 3.39Å; R1000-E1039 IonicContact NH1-OE2 3.33Å; R1000-E1039 IonicContact NH2-OE1 2.87Å; R1000-E1039 PolarHBondContact NH2-OE1 3.21Å; R1000-E1039 IonicContact NH2-OE2 2.71Å; R1000-E1039 PolarHBondContact NH2-OE2 2.98Å; V1002-E1039 VanDerWaalsContact CG1-OE2 3.27Å; V1002-E1039 WeakPolarHBondContact CG1-OE2 3.29Å; N1037-E1039 PolarHBondContact O-N 3.39Å; E1039-V1051 HydrophobicContact CB-CG1 4.3Å; E1039-V1051 PolarHBondContact N-O 3.49Å
1040R84.3Confident85.1Confident87 Ų8742.6 Ų42.633%0.32822%0.219SC..EExtended strand (participates in β ladder)trans-161.7161.2-178.6-156.6154.9175.7179-2.5110.7S966 D968 L973 F1042 V1051S966-R1040 PolarHBondContact OG-NH2 3.1Å; D968-R1040 IonicContact OD2-NH2 2.65Å; L973-R1040 VanDerWaalsContact CD1-NH1 3.33Å; R1040-F1042 HydrophobicContact CB-CE2 4.06Å; R1040-F1042 HydrophobicContact CB-CZ 4.37Å; R1040-F1042 HydrophobicContact CG-CE2 3.93Å; R1040-F1042 HydrophobicContact CG-CZ 3.82Å; R1040-V1051 PolarHBondContact N-O 2.81Å; R1040-V1051 WeakPolarHBondContact O-CA 3.39Å; R1040-V1051 WeakPolarHBondContact O-CB 3.49Å; R1040-V1051 PolarHBondContact O-N 2.81Å
1041M83Confident85.2Confident18 Ų1841.9 Ų41.99%0.08922%0.216CC..EExtended strand (participates in β ladder)trans-126.4143.4169.7175165-68.500110.4V1024 V1048 F1049 V1050V1024-M1041 HydrophobicContact CB-CE 4.04Å; V1024-M1041 HydrophobicContact CB-SD 4.09Å; V1024-M1041 HydrophobicContact CG1-CE 3.74Å; V1024-M1041 HydrophobicContact CG1-SD 3.46Å; V1024-M1041 WeakPolarHBondContact CG1-SD 3.48Å; V1024-M1041 HydrophobicContact CG2-CE 3.37Å; V1024-M1041 HydrophobicContact CG2-SD 3.45Å; V1024-M1041 WeakPolarHBondContact CG2-SD 3.14Å; M1041-V1048 HydrophobicContact CE-CG1 3.93Å; M1041-V1048 HydrophobicContact CG-CG1 4Å; M1041-V1048 HydrophobicContact SD-CG1 3.65Å; M1041-F1049 WeakPolarHBondContact CA-O 3.5Å; M1041-V1050 HydrophobicContact CE-CB 4.16Å; M1041-V1050 HydrophobicContact CE-CG1 3.9Å; M1041-V1050 HydrophobicContact CE-CG2 3.69Å
1042F83.5Confident85.5Confident10 Ų1036.2 Ų36.24%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-123.5137.2168.7-56.7-90.8000109.8D968 V970 L973 Y974 R1040 F1049 V1051D968-F1042 VanDerWaalsContact O-CD1 3.27Å; D968-F1042 WeakPolarHBondContact O-CD1 3.25Å; D968-F1042 WeakPolarHBondContact O-CE1 3.43Å; V970-F1042 HydrophobicContact CB-CB 3.96Å; V970-F1042 HydrophobicContact CB-CD1 4.19Å; V970-F1042 HydrophobicContact CB-CD2 3.73Å; V970-F1042 HydrophobicContact CB-CE2 4.34Å; V970-F1042 HydrophobicContact CB-CG 3.66Å; V970-F1042 HydrophobicContact CG2-CD2 3.61Å; V970-F1042 HydrophobicContact CG2-CE2 4.06Å; V970-F1042 HydrophobicContact CG2-CG 4.09Å; L973-F1042 HydrophobicContact CD1-CE1 4.11Å; L973-F1042 HydrophobicContact CD1-CZ 3.83Å; Y974-F1042 AromaticContact CD2-CE2 3.79Å; Y974-F1042 HydrophobicContact CD2-CE2 3.79Å; Y974-F1042 HydrophobicContact CD2-CZ 4.12Å; Y974-F1042 AromaticContact CE2-CE2 3.37Å; Y974-F1042 HydrophobicContact CE2-CE2 3.37Å; Y974-F1042 AromaticContact CE2-CZ 3.58Å; Y974-F1042 HydrophobicContact CE2-CZ 3.58Å; R1040-F1042 HydrophobicContact CB-CE2 4.06Å; R1040-F1042 HydrophobicContact CB-CZ 4.37Å; R1040-F1042 HydrophobicContact CG-CE2 3.93Å; R1040-F1042 HydrophobicContact CG-CZ 3.82Å; F1042-F1049 HydrophobicContact CB-CB 4.22Å; F1042-F1049 HydrophobicContact CB-CD2 4.35Å; F1042-F1049 PolarHBondContact N-O 2.85Å; F1042-F1049 PolarHBondContact O-N 2.99Å; F1042-V1051 HydrophobicContact CD2-CG2 4.15Å; F1042-V1051 HydrophobicContact CE2-CG2 4.03Å
1043E80.5Confident85.5Confident67 Ų6737.2 Ų37.231%0.31319%0.19SC..EExtended strand (participates in β ladder)trans-118.5134.4176.9-174.6160.2-17000109.6K1009 V1048K1009-E1043 WeakPolarHBondContact CE-OE1 3.37Å; K1009-E1043 IonicContact NZ-OE1 3.84Å; K1009-E1043 PolarHBondContact NZ-OE1 3.25Å; E1043-V1048 HydrophobicContact CG-CG2 4.3Å
1044T79.5Confident85.6Confident43 Ų4337.5 Ų37.526%0.26419%0.186SC..  trans-125.8165.6174.567.80000108.8K1009 K1046 R1047 F1049K1009-T1044 WeakPolarHBondContact CE-O 3.32Å; K1009-T1044 PolarHBondContact NZ-O 3.27Å; T1044-K1046 PolarHBondContact O-N 3.37Å; T1044-R1047 PolarHBondContact N-O 2.73Å; T1044-R1047 PolarHBondContact O-N 3.15Å; T1044-R1047 WeakPolarHBondContact OG1-CA 3.33Å; T1044-R1047 PolarHBondContact OG1-N 2.87Å; T1044-R1047 PolarHBondContact OG1-O 3.2Å; T1044-F1049 HydrophobicContact CG2-CD2 4.47Å; T1044-F1049 HydrophobicContact CG2-CE2 3.91Å
1045P73.7Confident85.5Confident126 Ų12638.8 Ų38.882%0.81819%0.192SC*.SBendtrans-57.6-24.3177.1-28.336.6000114.5
1046K71.1Confident85.3Confident58 Ų5841.8 Ų41.825%0.25222%0.217SC..SBendtrans-108.2-27.1-179.9-64.9-172.9177.1-179.60114.7V755 Y757 K1009 L1010 T1044V755-K1046 PolarHBondContact O-NZ 3.05Å; Y757-K1046 HydrophobicContact CE2-CD 4.39Å; K1009-K1046 WeakPolarHBondContact CB-O 3.24Å; K1009-K1046 PolarHBondContact N-O 2.96Å; L1010-K1046 HydrophobicContact CD1-CB 4.28Å; L1010-K1046 HydrophobicContact CD1-CD 4.16Å; L1010-K1046 HydrophobicContact CD1-CG 4.06Å; T1044-K1046 PolarHBondContact O-N 3.37Å
1047R77.7Confident85.1Confident71 Ų7142.5 Ų42.527%0.26823%0.225SC..EExtended strand (participates in β ladder)trans-144.4148.6-167.3-64.7-175173.4168.3-1.2113.1I1007 D1008 T1044 F1049I1007-R1047 CarbonylContact O-C 3.45Å; I1007-R1047 WeakPolarHBondContact O-CA 3.35Å; I1007-R1047 WeakPolarHBondContact O-CB 3.37Å; D1008-R1047 HydrophobicContact CB-CG 4.49Å; D1008-R1047 IonicContact OD2-CZ 2.87Å; D1008-R1047 IonicContact OD2-NE 2.67Å; D1008-R1047 PolarHBondContact OD2-NE 3.23Å; D1008-R1047 IonicContact OD2-NH2 3.32Å; D1008-R1047 PolarHBondContact OD2-NH2 2.98Å; D1008-R1047 VanDerWaalsContact OD2-NH2 3.13Å; T1044-R1047 PolarHBondContact N-O 2.73Å; T1044-R1047 PolarHBondContact O-N 3.15Å; T1044-R1047 WeakPolarHBondContact OG1-CA 3.33Å; T1044-R1047 PolarHBondContact OG1-N 2.87Å; T1044-R1047 PolarHBondContact OG1-O 3.2Å; R1047-F1049 HydrophobicContact CB-CD2 4.47Å; R1047-F1049 HydrophobicContact CB-CE2 3.76Å; R1047-F1049 HydrophobicContact CB-CZ 4.1Å
1048V78.8Confident85.3Confident3 Ų340 Ų402%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-108.7140.1166.3-173.30000108.6I1007 K1009 L1020 M1041 E1043I1007-V1048 HydrophobicContact CB-CB 4.37Å; I1007-V1048 PolarHBondContact N-O 2.82Å; I1007-V1048 PolarHBondContact O-N 3.05Å; K1009-V1048 HydrophobicContact CG-CG2 4.25Å; L1020-V1048 HydrophobicContact CD1-CB 4.34Å; L1020-V1048 HydrophobicContact CD1-CG2 3.9Å; L1020-V1048 HydrophobicContact CD2-CB 4.13Å; L1020-V1048 HydrophobicContact CD2-CG1 3.97Å; L1020-V1048 HydrophobicContact CD2-CG2 4.02Å; M1041-V1048 HydrophobicContact CE-CG1 3.93Å; M1041-V1048 HydrophobicContact CG-CG1 4Å; M1041-V1048 HydrophobicContact SD-CG1 3.65Å; E1043-V1048 HydrophobicContact CG-CG2 4.3Å
1049F86Confident85.7Confident20 Ų2038.8 Ų38.89%0.08821%0.206CC..EExtended strand (participates in β ladder)trans-119.9113.2177.6-58.8-101.8000108.1V970 I976 I1004 K1005 V1006 M1041 F1042 T1044 R1047V970-F1049 HydrophobicContact CB-CG 4.49Å; V970-F1049 HydrophobicContact CG1-CD1 4.15Å; V970-F1049 HydrophobicContact CG1-CD2 4.2Å; V970-F1049 HydrophobicContact CG1-CE1 4.12Å; V970-F1049 HydrophobicContact CG1-CE2 4.17Å; V970-F1049 HydrophobicContact CG1-CG 4.21Å; V970-F1049 HydrophobicContact CG1-CZ 4.13Å; V970-F1049 HydrophobicContact CG2-CB 4.31Å; V970-F1049 HydrophobicContact CG2-CD1 4.3Å; V970-F1049 HydrophobicContact CG2-CG 4.3Å; I976-F1049 HydrophobicContact CD1-CD1 3.96Å; I976-F1049 HydrophobicContact CD1-CE1 3.83Å; I1004-F1049 HydrophobicContact CG2-CB 4.42Å; I1004-F1049 HydrophobicContact CG2-CD1 4.21Å; K1005-F1049 WeakPolarHBondContact O-CA 3.29Å; V1006-F1049 HydrophobicContact CG1-CD1 4.27Å; V1006-F1049 HydrophobicContact CG1-CE1 3.95Å; V1006-F1049 HydrophobicContact CG1-CZ 4.44Å; V1006-F1049 HydrophobicContact CG2-CD1 3.74Å; V1006-F1049 HydrophobicContact CG2-CE1 3.92Å; M1041-F1049 WeakPolarHBondContact CA-O 3.5Å; F1042-F1049 HydrophobicContact CB-CB 4.22Å; F1042-F1049 HydrophobicContact CB-CD2 4.35Å; F1042-F1049 PolarHBondContact N-O 2.85Å; F1042-F1049 PolarHBondContact O-N 2.99Å; T1044-F1049 HydrophobicContact CG2-CD2 4.47Å; T1044-F1049 HydrophobicContact CG2-CE2 3.91Å; R1047-F1049 HydrophobicContact CB-CD2 4.47Å; R1047-F1049 HydrophobicContact CB-CE2 3.76Å; R1047-F1049 HydrophobicContact CB-CZ 4.1Å
1050V86.7Confident85.8Confident2 Ų239 Ų391%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-97114.3173.2-158.40000107.4I1004 K1005 I1007 L1038 M1041 M1052I1004-V1050 CarbonylContact C-O 3.48Å; I1004-V1050 WeakPolarHBondContact CA-O 3.34Å; K1005-V1050 HydrophobicContact CB-CB 3.96Å; K1005-V1050 HydrophobicContact CB-CG2 4.08Å; K1005-V1050 HydrophobicContact CD-CG2 4.29Å; K1005-V1050 PolarHBondContact N-O 3.47Å; K1005-V1050 PolarHBondContact O-N 3.42Å; I1007-V1050 HydrophobicContact CD1-CG2 4.19Å; L1038-V1050 HydrophobicContact CD1-CG1 3.39Å; M1041-V1050 HydrophobicContact CE-CB 4.16Å; M1041-V1050 HydrophobicContact CE-CG1 3.9Å; M1041-V1050 HydrophobicContact CE-CG2 3.69Å; V1050-M1052 HydrophobicContact CG1-CG 4.26Å; V1050-M1052 HydrophobicContact CG1-SD 4.35Å
1051V90.9Very high85.9Confident0 Ų039.5 Ų39.50%021%0.214CC..EExtended strand (participates in β ladder)trans-101.2124.5179.6-173.20000109.2Y974 V1002 I1004 E1039 R1040 F1042Y974-V1051 HydrophobicContact CD1-CG1 4.02Å; Y974-V1051 HydrophobicContact CD2-CG2 4.41Å; Y974-V1051 HydrophobicContact CE1-CG1 3.54Å; Y974-V1051 HydrophobicContact CE2-CG2 4.28Å; V1002-V1051 HydrophobicContact CB-CG1 3.95Å; V1002-V1051 HydrophobicContact CG1-CG1 4.1Å; V1002-V1051 HydrophobicContact CG2-CG1 4.24Å; I1004-V1051 HydrophobicContact CG1-CG1 4.24Å; I1004-V1051 HydrophobicContact CG1-CG2 4.29Å; I1004-V1051 HydrophobicContact CG2-CG2 4.45Å; E1039-V1051 HydrophobicContact CB-CG1 4.3Å; E1039-V1051 PolarHBondContact N-O 3.49Å; R1040-V1051 PolarHBondContact N-O 2.81Å; R1040-V1051 WeakPolarHBondContact O-CA 3.39Å; R1040-V1051 WeakPolarHBondContact O-CB 3.49Å; R1040-V1051 PolarHBondContact O-N 2.81Å; F1042-V1051 HydrophobicContact CD2-CG2 4.15Å; F1042-V1051 HydrophobicContact CE2-CG2 4.03Å
1052M92.1Very high86.3Confident18 Ų1840.2 Ų40.29%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-133.7167.4-174.6-59.3174.2-62.100109.7V1002 A1003 K1005 V1036 N1037 L1038 V1050V1002-M1052 CarbonylContact C-O 3.58Å; V1002-M1052 WeakPolarHBondContact CA-O 3.47Å; V1002-M1052 WeakPolarHBondContact CB-O 3.47Å; A1003-M1052 PolarHBondContact N-O 3.38Å; A1003-M1052 PolarHBondContact O-N 3.18Å; K1005-M1052 HydrophobicContact CB-CE 4.24Å; V1036-M1052 HydrophobicContact CG1-SD 4.16Å; V1036-M1052 HydrophobicContact CG2-CB 4.06Å; V1036-M1052 HydrophobicContact CG2-SD 4.31Å; N1037-M1052 WeakPolarHBondContact O-CA 3.49Å; L1038-M1052 HydrophobicContact CD1-CG 4.46Å; V1050-M1052 HydrophobicContact CG1-CG 4.26Å; V1050-M1052 HydrophobicContact CG1-SD 4.35Å
1053E92.5Very high86.5Confident46 Ų4639.9 Ų39.922%0.21522%0.216CC..EExtended strand (participates in β ladder)trans-58.7143167.260.6-174.7132.500111.9V1036 N1037 L1055 K1135V1036-E1053 HydrophobicContact CG2-CG 3.87Å; N1037-E1053 HydrophobicContact CB-CG 4.4Å; N1037-E1053 VanDerWaalsContact CB-OE1 3.26Å; N1037-E1053 WeakPolarHBondContact CB-OE1 3.05Å; N1037-E1053 PolarHBondContact N-OE1 3.05Å; N1037-E1053 PolarHBondContact O-N 3.37Å; E1053-L1055 HydrophobicContact CG-CD1 4.43Å; E1053-L1055 HydrophobicContact CG-CD2 4.26Å; E1053-L1055 HydrophobicContact CG-CG 4.24Å; E1053-K1135 VanDerWaalsContact OE1-CD 3.28Å; E1053-K1135 WeakPolarHBondContact OE1-CD 3.47Å; E1053-K1135 IonicContact OE1-NZ 3.13Å; E1053-K1135 PolarHBondContact OE1-NZ 2.8Å; E1053-K1135 IonicContact OE2-NZ 3.46Å; E1053-K1135 PolarHBondContact OE2-NZ 3.43Å
1054K92.8Very high86.6Confident52 Ų5242.5 Ų42.523%0.22623%0.232CC..  trans-86.6134170.5-175.7158.6172.9-84.90109.5E980 L982 E1001 A1003E980-K1054 WeakPolarHBondContact OE1-CE 3.47Å; E980-K1054 IonicContact OE1-NZ 2.71Å; E980-K1054 PolarHBondContact OE1-NZ 3.49Å; E980-K1054 VanDerWaalsContact OE1-NZ 3.11Å; L982-K1054 HydrophobicContact CD1-CD 3.98Å; L982-K1054 HydrophobicContact CD1-CG 4.16Å; E1001-K1054 HydrophobicContact CB-CB 4.05Å; E1001-K1054 HydrophobicContact CB-CD 4.09Å; E1001-K1054 WeakPolarHBondContact OE2-CD 3.32Å; E1001-K1054 IonicContact OE2-NZ 2.81Å; E1001-K1054 PolarHBondContact OE2-NZ 3.41Å; A1003-K1054 HydrophobicContact CB-CB 4.5Å
1055L93.4Very high86.9Confident32 Ų3243.4 Ų43.417%0.16825%0.25CC..  trans-119.9163.9-177-64.6176.6000110V1036 E1053 G1057 L1106 A1108 K1135V1036-L1055 HydrophobicContact CG2-CD1 4.48Å; E1053-L1055 HydrophobicContact CG-CD1 4.43Å; E1053-L1055 HydrophobicContact CG-CD2 4.26Å; E1053-L1055 HydrophobicContact CG-CG 4.24Å; L1055-G1057 PolarHBondContact O-N 3.42Å; L1055-L1106 HydrophobicContact CB-CB 4.11Å; L1055-L1106 HydrophobicContact CD1-CB 3.44Å; L1055-L1106 VanDerWaalsContact CD1-CB 3.44Å; L1055-L1106 HydrophobicContact CD1-CD1 3.84Å; L1055-L1106 HydrophobicContact CD1-CG 4.29Å; L1055-L1106 HydrophobicContact CG-CB 4.41Å; L1055-A1108 HydrophobicContact CD2-CB 3.66Å; L1055-K1135 HydrophobicContact CD1-CB 3.87Å; L1055-K1135 HydrophobicContact CD1-CD 4.02Å; L1055-K1135 HydrophobicContact CD1-CG 4.3Å; L1055-K1135 HydrophobicContact CD2-CD 4.33Å
1056A88.9Confident87.6Confident68 Ų6838.5 Ų38.556%0.56222%0.219SC*.SBendtrans-81.2-11.8-163.200000114.9L1107 I1109A1056-L1107 WeakPolarHBondContact CB-O 3.36Å; A1056-L1107 PolarHBondContact N-O 3.08Å; A1056-I1109 HydrophobicContact CB-CD1 4.03Å; A1056-I1109 HydrophobicContact CB-CG1 4.2Å
1057G90Very high88.2Confident19 Ų1941.9 Ų41.920%0.19625%0.246CC..  trans156.8-166.8-175.400000110.3L1055 E1061 L1106 L1107L1055-G1057 PolarHBondContact O-N 3.42Å; G1057-E1061 WeakPolarHBondContact CA-OE2 3.4Å; G1057-L1106 WeakPolarHBondContact O-CA 3.39Å; G1057-L1107 PolarHBondContact O-N 2.84Å
1058D93Very high88.6Confident32 Ų3244.3 Ų44.317%0.17126%0.261CS..BIsolated β-bridgetrans-124.1169.6177.172.345.5000113.4L1060 E1061 M1062 V1105 L1106 L1107D1058-L1060 VanDerWaalsContact C-N 3.27Å; D1058-L1060 PolarHBondContact O-N 2.98Å; D1058-L1060 VanDerWaalsContact OD1-CA 3.3Å; D1058-L1060 WeakPolarHBondContact OD1-CA 3.32Å; D1058-L1060 VanDerWaalsContact OD1-CB 3.23Å; D1058-L1060 WeakPolarHBondContact OD1-CB 3.41Å; D1058-L1060 PolarHBondContact OD1-N 3.46Å; D1058-E1061 PolarHBondContact O-N 3.24Å; D1058-E1061 PolarHBondContact OD1-N 2.99Å; D1058-M1062 PolarHBondContact O-N 3.43Å; D1058-M1062 VanDerWaalsContact O-N 3.15Å; D1058-V1105 CarbonylContact C-O 3.53Å; D1058-V1105 WeakPolarHBondContact CA-O 3.18Å; D1058-L1106 HydrophobicContact CB-CD2 3.94Å; D1058-L1107 WeakPolarHBondContact O-CD1 3.48Å
1059M94.3Very high88.9Confident2 Ų245.5 Ų45.51%0.0127%0.274CS..Hα-helixtrans-68.9-24.1-178.7-170.5-174.2-176.900112.5M1062 I1063 L1071 L1079 I1083 P1102 V1105 I1183 S1187M1059-M1062 PolarHBondContact O-N 3.1Å; M1059-I1063 HydrophobicContact CG-CD1 4.21Å; M1059-I1063 WeakPolarHBondContact O-CD1 3.23Å; M1059-I1063 WeakPolarHBondContact O-CG1 3.28Å; M1059-I1063 PolarHBondContact O-N 3.26Å; M1059-L1071 HydrophobicContact CE-CD1 4.27Å; M1059-L1079 HydrophobicContact CE-CB 4.14Å; M1059-L1079 HydrophobicContact CE-CD1 3.8Å; M1059-L1079 HydrophobicContact CG-CD1 4.43Å; M1059-I1083 HydrophobicContact SD-CD1 4.15Å; M1059-P1102 HydrophobicContact CB-CB 3.97Å; M1059-P1102 WeakPolarHBondContact CB-O 3.41Å; M1059-P1102 HydrophobicContact CG-CB 4.24Å; M1059-P1102 PolarHBondContact N-O 3.37Å; M1059-P1102 HydrophobicContact SD-CB 4.47Å; M1059-V1105 HydrophobicContact CB-CB 3.86Å; M1059-V1105 HydrophobicContact CB-CG1 4.04Å; M1059-V1105 PolarHBondContact N-O 3.11Å; M1059-V1105 HydrophobicContact SD-CB 4.25Å; M1059-V1105 HydrophobicContact SD-CG1 4.06Å; M1059-V1105 HydrophobicContact SD-CG2 4.46Å; M1059-I1183 HydrophobicContact CE-CG2 3.99Å; M1059-I1183 HydrophobicContact SD-CG2 3.95Å; M1059-S1187 WeakPolarHBondContact CE-OG 3.14Å
1060L89.2Confident89.1Confident46 Ų4647.9 Ų47.924%0.24128%0.282CS..Hα-helixtrans-69.4-44.8173.6-175.363.7000110.6D1058 M1062 I1063 L1064 P1102 E1103D1058-L1060 VanDerWaalsContact C-N 3.27Å; D1058-L1060 PolarHBondContact O-N 2.98Å; D1058-L1060 VanDerWaalsContact OD1-CA 3.3Å; D1058-L1060 WeakPolarHBondContact OD1-CA 3.32Å; D1058-L1060 VanDerWaalsContact OD1-CB 3.23Å; D1058-L1060 WeakPolarHBondContact OD1-CB 3.41Å; D1058-L1060 PolarHBondContact OD1-N 3.46Å; L1060-M1062 VanDerWaalsContact C-N 3.26Å; L1060-M1062 PolarHBondContact O-N 3.26Å; L1060-I1063 PolarHBondContact O-N 3.39Å; L1060-L1064 HydrophobicContact CD1-CD1 4.07Å; L1060-L1064 HydrophobicContact CD1-CG 4.14Å; L1060-L1064 HydrophobicContact CD2-CD1 4.36Å; L1060-L1064 HydrophobicContact CG-CD1 3.84Å; L1060-L1064 HydrophobicContact CG-CG 4.28Å; L1060-L1064 WeakPolarHBondContact O-CB 3.32Å; L1060-L1064 VanDerWaalsContact O-CG 3.31Å; L1060-L1064 WeakPolarHBondContact O-CG 3.2Å; L1060-L1064 PolarHBondContact O-N 3.02Å; L1060-P1102 HydrophobicContact CB-CB 4Å; L1060-E1103 HydrophobicContact CB-CG 4.04Å; L1060-E1103 HydrophobicContact CD2-CG 3.59Å; L1060-E1103 HydrophobicContact CG-CG 4.44Å
1061E87.1Confident89.5Confident96 Ų9648.7 Ų48.745%0.44929%0.286SS..Hα-helixtrans-58.8-38.9173.5-68.8-171.8142.200111.3G1057 D1058 G1065G1057-E1061 WeakPolarHBondContact CA-OE2 3.4Å; D1058-E1061 PolarHBondContact O-N 3.24Å; D1058-E1061 PolarHBondContact OD1-N 2.99Å; E1061-G1065 WeakPolarHBondContact O-CA 3.22Å; E1061-G1065 PolarHBondContact O-N 2.73Å
1062M91.1Very high89.6Confident34 Ų3452.7 Ų52.717%0.16731%0.311CS..Hα-helixtrans-66-42.2175.3-168.5-173.3-175.800113D1058 M1059 L1060 S1066 L1071 V1075 L1079 L1107 Q1130 P1132D1058-M1062 PolarHBondContact O-N 3.43Å; D1058-M1062 VanDerWaalsContact O-N 3.15Å; M1059-M1062 PolarHBondContact O-N 3.1Å; L1060-M1062 VanDerWaalsContact C-N 3.26Å; L1060-M1062 PolarHBondContact O-N 3.26Å; M1062-S1066 PolarHBondContact O-N 3.46Å; M1062-L1071 HydrophobicContact CG-CD2 4.13Å; M1062-L1071 HydrophobicContact SD-CD1 4.47Å; M1062-V1075 HydrophobicContact CE-CG1 3.66Å; M1062-L1079 HydrophobicContact CE-CD1 4.39Å; M1062-L1079 HydrophobicContact SD-CD1 3.87Å; M1062-L1107 HydrophobicContact CB-CD1 3.78Å; M1062-L1107 HydrophobicContact CG-CD1 4.25Å; M1062-L1107 HydrophobicContact SD-CD1 3.92Å; M1062-Q1130 WeakPolarHBondContact CE-O 3.47Å; M1062-P1132 HydrophobicContact CE-CG 4.25Å; M1062-P1132 HydrophobicContact SD-CG 4.18Å
1063I87.4Confident89.8Confident2 Ų254 Ų541%0.0132%0.317CS..Hα-helixtrans-64.4-48.2176-68.2160.2000110.4M1059 L1060 S1066 G1069 L1071 P1102 V1186M1059-I1063 HydrophobicContact CG-CD1 4.21Å; M1059-I1063 WeakPolarHBondContact O-CD1 3.23Å; M1059-I1063 WeakPolarHBondContact O-CG1 3.28Å; M1059-I1063 PolarHBondContact O-N 3.26Å; L1060-I1063 PolarHBondContact O-N 3.39Å; I1063-S1066 WeakPolarHBondContact O-CB 3.37Å; I1063-S1066 PolarHBondContact O-N 2.8Å; I1063-G1069 CarbonylContact O-C 3.48Å; I1063-G1069 VanDerWaalsContact O-C 3.3Å; I1063-L1071 HydrophobicContact CG1-CD1 3.75Å; I1063-L1071 HydrophobicContact CG1-CG 3.86Å; I1063-P1102 HydrophobicContact CD1-CB 4.12Å; I1063-P1102 HydrophobicContact CD1-CG 4.19Å; I1063-V1186 HydrophobicContact CD1-CG1 4.4Å
1064L83.2Confident89.9Confident122 Ų12253.7 Ų53.764%0.63931%0.314SS*.Hα-helixtrans-73-27.9-177.8-65.7177.7000113.3L1060 S1066L1060-L1064 HydrophobicContact CD1-CD1 4.07Å; L1060-L1064 HydrophobicContact CD1-CG 4.14Å; L1060-L1064 HydrophobicContact CD2-CD1 4.36Å; L1060-L1064 HydrophobicContact CG-CD1 3.84Å; L1060-L1064 HydrophobicContact CG-CG 4.28Å; L1060-L1064 WeakPolarHBondContact O-CB 3.32Å; L1060-L1064 VanDerWaalsContact O-CG 3.31Å; L1060-L1064 WeakPolarHBondContact O-CG 3.2Å; L1060-L1064 PolarHBondContact O-N 3.02Å; L1064-S1066 VanDerWaalsContact C-N 3.35Å
1065G85.2Confident90Very high63 Ų6351.8 Ų51.865%0.64931%0.306SS*.Hα-helixtrans-80.1-12.917500000114.2E1061E1061-G1065 WeakPolarHBondContact O-CA 3.22Å; E1061-G1065 PolarHBondContact O-N 2.73Å
1066S88Confident90.2Very high23 Ų2350.2 Ų50.216%0.16130%0.298CS..SBendtrans-61.8137.9173.7177.80000111.2M1062 I1063 L1064 Q1068 G1069 R1070M1062-S1066 PolarHBondContact O-N 3.46Å; I1063-S1066 WeakPolarHBondContact O-CB 3.37Å; I1063-S1066 PolarHBondContact O-N 2.8Å; L1064-S1066 VanDerWaalsContact C-N 3.35Å; S1066-Q1068 PolarHBondContact O-N 3.32Å; S1066-Q1068 VanDerWaalsContact O-N 3.07Å; S1066-Q1068 PolarHBondContact OG-OE1 3.47Å; S1066-G1069 PolarHBondContact O-N 2.83Å; S1066-R1070 VanDerWaalsContact CB-O 3.28Å; S1066-R1070 WeakPolarHBondContact CB-O 3.46Å; S1066-R1070 PolarHBondContact OG-O 2.99Å
1067P84.8Confident90.6Very high128 Ų12848 Ų4883%0.83128%0.276SS*.THydrogen-bonded Turntrans-56.3-26.7177.3-25.334.6000114.5
1068Q84.7Confident91Very high122 Ų12247 Ų4757%0.5727%0.266SS*.THydrogen-bonded Turntrans-94.6-2.3177.7-62.479.2900113.2S1066 R1070S1066-Q1068 PolarHBondContact O-N 3.32Å; S1066-Q1068 VanDerWaalsContact O-N 3.07Å; S1066-Q1068 PolarHBondContact OG-OE1 3.47Å; Q1068-R1070 HydrophobicContact CB-CG 3.84Å; Q1068-R1070 PolarHBondContact O-N 3.14Å
1069G86.3Confident91.2Very high29 Ų2945.5 Ų45.530%0.29926%0.258SS..SBendtrans66.714.1-171.400000114.4I1063 S1066 G1190I1063-G1069 CarbonylContact O-C 3.48Å; I1063-G1069 VanDerWaalsContact O-C 3.3Å; S1066-G1069 PolarHBondContact O-N 2.83Å; G1069-G1190 WeakPolarHBondContact O-CA 3.38Å
1070R90Very high91.4Very high70 Ų7045.6 Ų45.626%0.26426%0.259SS..SBendtrans-153.8156.2-176.663.4-168.3179.1-132.516.1110.2S1066 Q1068 L1188 D1214S1066-R1070 VanDerWaalsContact CB-O 3.28Å; S1066-R1070 WeakPolarHBondContact CB-O 3.46Å; S1066-R1070 PolarHBondContact OG-O 2.99Å; Q1068-R1070 HydrophobicContact CB-CG 3.84Å; Q1068-R1070 PolarHBondContact O-N 3.14Å; R1070-L1188 WeakPolarHBondContact CD-O 3.11Å; R1070-D1214 IonicContact CZ-OD1 3.68Å; R1070-D1214 IonicContact NH1-OD1 3.21Å; R1070-D1214 IonicContact NH2-OD1 3.56Å; R1070-D1214 PolarHBondContact NH2-OD1 2.89Å
1071L94.4Very high91.9Very high18 Ų1844 Ų449%0.09425%0.251CS..  trans-92.7156.8179.1-58.4-179.8000111.1M1059 M1062 I1063 V1075 T1076 L1079 S1187M1059-L1071 HydrophobicContact CE-CD1 4.27Å; M1062-L1071 HydrophobicContact CG-CD2 4.13Å; M1062-L1071 HydrophobicContact SD-CD1 4.47Å; I1063-L1071 HydrophobicContact CG1-CD1 3.75Å; I1063-L1071 HydrophobicContact CG1-CG 3.86Å; L1071-V1075 HydrophobicContact CD1-CG1 4.28Å; L1071-V1075 HydrophobicContact CD2-CG1 4.5Å; L1071-T1076 WeakPolarHBondContact CB-OG1 3.38Å; L1071-L1079 HydrophobicContact CD1-CD1 3.83Å; L1071-S1187 PolarHBondContact N-O 3.23Å
1072T93.9Very high92.4Very high85 Ų8539.6 Ų39.652%0.52123%0.231SC..  trans-73.5161.3172.364.30000110.9R1074 V1075 T1076T1072-R1074 VanDerWaalsContact C-N 3.31Å; T1072-R1074 PolarHBondContact O-N 3.39Å; T1072-V1075 PolarHBondContact O-N 2.9Å; T1072-V1075 WeakPolarHBondContact OG1-CG2 3.24Å; T1072-V1075 PolarHBondContact OG1-N 3.16Å; T1072-T1076 WeakPolarHBondContact O-CB 3.42Å; T1072-T1076 PolarHBondContact O-N 2.76Å; T1072-T1076 PolarHBondContact O-OG1 3.07Å
1073E96.2Very high92.8Very high44 Ų4438 Ų3821%0.20622%0.223CC..Hα-helixtrans-60.1-39.8175-76.5-171.3-132.600112.7T1076 K1077 L1188 I1219 S1220 W1249E1073-T1076 PolarHBondContact O-N 2.86Å; E1073-K1077 WeakPolarHBondContact O-CB 3.49Å; E1073-K1077 PolarHBondContact O-N 3Å; E1073-L1188 HydrophobicContact CB-CD2 4.44Å; E1073-L1188 HydrophobicContact CG-CD2 3.76Å; E1073-I1219 WeakPolarHBondContact OE1-CA 3.44Å; E1073-S1220 PolarHBondContact OE1-N 3.2Å; E1073-S1220 PolarHBondContact OE1-OG 2.99Å; E1073-S1220 WeakPolarHBondContact OE2-CB 3.37Å; E1073-S1220 PolarHBondContact OE2-OG 3.24Å; E1073-W1249 HydrophobicContact CB-CZ2 4.15Å; E1073-W1249 HydrophobicContact CG-CZ2 4.15Å; E1073-W1249 PolarHBondContact OE2-NE1 2.97Å
1074R94.7Very high93.3Very high40 Ų4038.1 Ų38.115%0.15122%0.223CC..Hα-helixtrans-58.7-51.7177.7-178.6177.2173.9-175.8-2.8111.7T1072 Y1078 F1131 I1254 D1258 R1318T1072-R1074 VanDerWaalsContact C-N 3.31Å; T1072-R1074 PolarHBondContact O-N 3.39Å; R1074-Y1078 WeakPolarHBondContact O-CB 3.3Å; R1074-Y1078 PolarHBondContact O-N 3.15Å; R1074-F1131 HydrophobicContact CG-CE1 4.47Å; R1074-I1254 VanDerWaalsContact CZ-CG2 3.4Å; R1074-D1258 IonicContact CZ-OD1 3.49Å; R1074-D1258 IonicContact CZ-OD2 3.42Å; R1074-D1258 IonicContact NE-OD1 2.66Å; R1074-D1258 IonicContact NE-OD2 3.48Å; R1074-D1258 PolarHBondContact NE-OD2 2.95Å; R1074-D1258 VanDerWaalsContact NH2-CG 3.34Å; R1074-D1258 IonicContact NH2-OD1 2.76Å; R1074-D1258 PolarHBondContact NH2-OD1 3.41Å; R1074-D1258 IonicContact NH2-OD2 2.7Å; R1074-D1258 PolarHBondContact NH2-OD2 3.22Å; R1074-D1258 VanDerWaalsContact NH2-OD2 3.09Å; R1074-R1318 PolarHBondContact NH1-O 3.39Å; R1074-R1318 PolarHBondContact NH2-O 3.16Å
1075V95.2Very high94Very high12 Ų1232.4 Ų32.47%0.07319%0.194CC..Hα-helixtrans-65.1-45.3178.7174.90000110.4M1062 L1071 T1072 K1077 Y1078 L1079M1062-V1075 HydrophobicContact CE-CG1 3.66Å; L1071-V1075 HydrophobicContact CD1-CG1 4.28Å; L1071-V1075 HydrophobicContact CD2-CG1 4.5Å; T1072-V1075 PolarHBondContact O-N 2.9Å; T1072-V1075 WeakPolarHBondContact OG1-CG2 3.24Å; T1072-V1075 PolarHBondContact OG1-N 3.16Å; V1075-K1077 PolarHBondContact O-N 2.85Å; V1075-Y1078 WeakPolarHBondContact O-CB 3.41Å; V1075-Y1078 PolarHBondContact O-N 2.88Å; V1075-L1079 HydrophobicContact CG1-CD1 3.87Å; V1075-L1079 HydrophobicContact CG1-CG 4.32Å; V1075-L1079 VanDerWaalsContact O-CG 3.29Å; V1075-L1079 WeakPolarHBondContact O-CG 3.43Å; V1075-L1079 PolarHBondContact O-N 3.3Å
1076T97.4Very high94.5Very high0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-61.6-43.4-179.4-54.80000112L1071 T1072 E1073 L1079 A1080 L1184 L1188 W1249L1071-T1076 WeakPolarHBondContact CB-OG1 3.38Å; T1072-T1076 WeakPolarHBondContact O-CB 3.42Å; T1072-T1076 PolarHBondContact O-N 2.76Å; T1072-T1076 PolarHBondContact O-OG1 3.07Å; E1073-T1076 PolarHBondContact O-N 2.86Å; T1076-L1079 PolarHBondContact O-N 2.98Å; T1076-A1080 WeakPolarHBondContact O-CB 3.06Å; T1076-A1080 PolarHBondContact O-N 3.4Å; T1076-L1184 HydrophobicContact CG2-CD2 3.66Å; T1076-L1188 HydrophobicContact CG2-CD2 3.96Å; T1076-L1188 HydrophobicContact CG2-CG 4.08Å; T1076-L1188 WeakPolarHBondContact OG1-CD2 3.47Å; T1076-W1249 HydrophobicContact CG2-CH2 4.16Å
1077K97Very high95Very high20 Ų2028.3 Ų28.39%0.08716%0.155CC..Hα-helixtrans-65.4-40.7177.8-171.8-167.2-56.1-1750112E1073 V1075 A1080 T1081 W1249 M1250 D1252 C1255E1073-K1077 WeakPolarHBondContact O-CB 3.49Å; E1073-K1077 PolarHBondContact O-N 3Å; V1075-K1077 PolarHBondContact O-N 2.85Å; K1077-A1080 PolarHBondContact O-N 3.03Å; K1077-T1081 WeakPolarHBondContact O-CB 3.21Å; K1077-T1081 PolarHBondContact O-N 3.28Å; K1077-T1081 PolarHBondContact O-OG1 3.44Å; K1077-W1249 HydrophobicContact CB-CH2 3.88Å; K1077-W1249 HydrophobicContact CB-CZ2 4.08Å; K1077-W1249 HydrophobicContact CB-CZ3 4.15Å; K1077-W1249 WeakPolarHBondContact CD-O 3.3Å; K1077-W1249 WeakPolarHBondContact CE-O 3.49Å; K1077-W1249 HydrophobicContact CG-CE3 4.31Å; K1077-W1249 HydrophobicContact CG-CH2 4.46Å; K1077-W1249 HydrophobicContact CG-CZ3 4.29Å; K1077-W1249 PolarHBondContact NZ-O 3.18Å; K1077-W1249 VanDerWaalsContact NZ-O 3.1Å; K1077-M1250 HydrophobicContact CG-CE 4.11Å; K1077-M1250 HydrophobicContact CG-SD 3.98Å; K1077-D1252 HydrophobicContact CD-CB 3.79Å; K1077-D1252 VanDerWaalsContact NZ-CB 3.3Å; K1077-D1252 VanDerWaalsContact NZ-CG 3.31Å; K1077-D1252 IonicContact NZ-OD2 3.41Å; K1077-D1252 PolarHBondContact NZ-OD2 2.93Å; K1077-C1255 HydrophobicContact CD-CB 3.77Å; K1077-C1255 HydrophobicContact CG-CB 4.37Å
1078Y97.4Very high95.5Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-59.8-50.7173.8169.2-101.4000111.8R1074 V1075 T1081 Q1082 F1131 P1132 D1258 L1259 L1262R1074-Y1078 WeakPolarHBondContact O-CB 3.3Å; R1074-Y1078 PolarHBondContact O-N 3.15Å; V1075-Y1078 WeakPolarHBondContact O-CB 3.41Å; V1075-Y1078 PolarHBondContact O-N 2.88Å; Y1078-T1081 PolarHBondContact O-N 2.87Å; Y1078-Q1082 PolarHBondContact O-N 3.45Å; Y1078-F1131 HydrophobicContact CD1-CD1 4.09Å; Y1078-F1131 HydrophobicContact CD2-CD1 4.44Å; Y1078-F1131 VanDerWaalsContact CE1-C 3.43Å; Y1078-F1131 VanDerWaalsContact CE1-CA 3.47Å; Y1078-F1131 HydrophobicContact CE1-CB 3.8Å; Y1078-F1131 HydrophobicContact CE1-CD1 4.15Å; Y1078-F1131 HydrophobicContact CE1-CG 4.49Å; Y1078-F1131 HydrophobicContact CG-CD1 4.22Å; Y1078-F1131 PolarHBondContact OH-O 3.45Å; Y1078-P1132 VanDerWaalsContact CE1-O 3.23Å; Y1078-P1132 WeakPolarHBondContact CE1-O 3.31Å; Y1078-D1258 HydrophobicContact CD2-CB 3.8Å; Y1078-D1258 HydrophobicContact CE2-CB 4.04Å; Y1078-L1259 HydrophobicContact CD2-CD2 3.65Å; Y1078-L1259 HydrophobicContact CD2-CG 3.94Å; Y1078-L1259 HydrophobicContact CE2-CD2 3.85Å; Y1078-L1259 HydrophobicContact CE2-CG 4.28Å; Y1078-L1262 HydrophobicContact CE2-CB 4.43Å; Y1078-L1262 HydrophobicContact CE2-CD2 4.36Å; Y1078-L1262 WeakPolarHBondContact OH-CD2 3.32Å
1079L98.3Very high96Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-64.2-43.8176.7-59.8172.2000111.4M1059 M1062 L1071 V1075 T1076 T1081 Q1082 I1083 P1132 I1134M1059-L1079 HydrophobicContact CE-CB 4.14Å; M1059-L1079 HydrophobicContact CE-CD1 3.8Å; M1059-L1079 HydrophobicContact CG-CD1 4.43Å; M1062-L1079 HydrophobicContact CE-CD1 4.39Å; M1062-L1079 HydrophobicContact SD-CD1 3.87Å; L1071-L1079 HydrophobicContact CD1-CD1 3.83Å; V1075-L1079 HydrophobicContact CG1-CD1 3.87Å; V1075-L1079 HydrophobicContact CG1-CG 4.32Å; V1075-L1079 VanDerWaalsContact O-CG 3.29Å; V1075-L1079 WeakPolarHBondContact O-CG 3.43Å; V1075-L1079 PolarHBondContact O-N 3.3Å; T1076-L1079 PolarHBondContact O-N 2.98Å; L1079-T1081 VanDerWaalsContact C-N 3.31Å; L1079-T1081 PolarHBondContact O-N 3.43Å; L1079-Q1082 PolarHBondContact O-N 2.97Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.48Å; L1079-I1083 PolarHBondContact O-N 3.32Å; L1079-P1132 HydrophobicContact CD2-CG 3.96Å; L1079-I1134 HydrophobicContact CB-CG2 4.29Å; L1079-I1134 HydrophobicContact CD2-CG2 3.42Å; L1079-I1134 VanDerWaalsContact CD2-CG2 3.42Å; L1079-I1134 HydrophobicContact CG-CG2 4.41Å
1080A98.5Very high96.4Very high3 Ų321.1 Ų21.13%0.02510%0.097CC..Hα-helixtrans-62.8-35.117900000113T1076 K1077 I1083 L1084 L1184 M1250T1076-A1080 WeakPolarHBondContact O-CB 3.06Å; T1076-A1080 PolarHBondContact O-N 3.4Å; K1077-A1080 PolarHBondContact O-N 3.03Å; A1080-I1083 PolarHBondContact O-N 2.85Å; A1080-L1084 WeakPolarHBondContact O-CB 3.36Å; A1080-L1084 VanDerWaalsContact O-CG 3.24Å; A1080-L1084 WeakPolarHBondContact O-CG 3.31Å; A1080-L1084 PolarHBondContact O-N 3.38Å; A1080-L1184 HydrophobicContact CB-CD2 3.62Å; A1080-M1250 HydrophobicContact CB-CE 4.26Å
1081T98.3Very high96.5Very high13 Ų1318.1 Ų18.18%0.089%0.086CC..Hα-helixtrans-62.8-46.7175.6-53.70000110.3K1077 Y1078 L1079 L1084 V1085 L1245 M1250 L1259K1077-T1081 WeakPolarHBondContact O-CB 3.21Å; K1077-T1081 PolarHBondContact O-N 3.28Å; K1077-T1081 PolarHBondContact O-OG1 3.44Å; Y1078-T1081 PolarHBondContact O-N 2.87Å; L1079-T1081 VanDerWaalsContact C-N 3.31Å; L1079-T1081 PolarHBondContact O-N 3.43Å; T1081-L1084 PolarHBondContact O-N 2.82Å; T1081-V1085 HydrophobicContact CG2-CG2 4.48Å; T1081-V1085 WeakPolarHBondContact O-CG2 3.43Å; T1081-V1085 PolarHBondContact O-N 3.41Å; T1081-L1245 HydrophobicContact CG2-CD2 4.07Å; T1081-M1250 WeakPolarHBondContact OG1-CE 3.33Å; T1081-L1259 HydrophobicContact CG2-CD1 3.57Å; T1081-L1259 HydrophobicContact CG2-CD2 4.32Å
1082Q98.3Very high96.3Very high3 Ų323.3 Ų23.31%0.01411%0.114CC..Hα-helixtrans-63.5-42.5177.5-59.4-179.961.500112Y1078 L1079 V1085 A1086 P1132 I1134 L1259 L1262 L1273Y1078-Q1082 PolarHBondContact O-N 3.45Å; L1079-Q1082 PolarHBondContact O-N 2.97Å; Q1082-V1085 PolarHBondContact O-N 3.4Å; Q1082-A1086 WeakPolarHBondContact O-CB 3.29Å; Q1082-A1086 PolarHBondContact O-N 2.65Å; Q1082-P1132 PolarHBondContact NE2-O 3.15Å; Q1082-I1134 HydrophobicContact CB-CD1 4.13Å; Q1082-I1134 HydrophobicContact CB-CG1 3.38Å; Q1082-I1134 HydrophobicContact CG-CG1 4.4Å; Q1082-L1259 HydrophobicContact CG-CD2 3.97Å; Q1082-L1262 HydrophobicContact CG-CD2 4.35Å; Q1082-L1273 HydrophobicContact CB-CD2 4.15Å; Q1082-L1273 HydrophobicContact CG-CD1 4.05Å; Q1082-L1273 HydrophobicContact CG-CD2 3.86Å
1083I98.6Very high96Very high2 Ų225 Ų251%0.0111%0.111CC..Hα-helixtrans-58.9-47.9174.6-66.9166.1000110.6M1059 L1079 A1080 A1086 L1087 V1105 I1134 L1136 V1180 I1183M1059-I1083 HydrophobicContact SD-CD1 4.15Å; L1079-I1083 WeakPolarHBondContact O-CG1 3.48Å; L1079-I1083 PolarHBondContact O-N 3.32Å; A1080-I1083 PolarHBondContact O-N 2.85Å; I1083-A1086 PolarHBondContact O-N 3.06Å; I1083-L1087 HydrophobicContact CG2-CD1 3.92Å; I1083-L1087 WeakPolarHBondContact O-CG 3.27Å; I1083-L1087 PolarHBondContact O-N 2.73Å; I1083-V1105 HydrophobicContact CD1-CG1 4.1Å; I1083-V1105 HydrophobicContact CD1-CG2 4.1Å; I1083-V1105 HydrophobicContact CG1-CG1 4.21Å; I1083-V1105 HydrophobicContact CG1-CG2 4.44Å; I1083-I1134 HydrophobicContact CG1-CD1 3.8Å; I1083-I1134 HydrophobicContact CG1-CG1 4.09Å; I1083-L1136 HydrophobicContact CG1-CD2 4.45Å; I1083-V1180 HydrophobicContact CG2-CG2 4.02Å; I1083-I1183 HydrophobicContact CD1-CG2 4.39Å
1084L98.5Very high95.3Very high3 Ų324.4 Ų24.42%0.01611%0.111CC..Hα-helixtrans-64.2-41179.1-73.9169.5000111.9A1080 T1081 L1087 R1088 M1177 V1180 V1241 L1245 M1250A1080-L1084 WeakPolarHBondContact O-CB 3.36Å; A1080-L1084 VanDerWaalsContact O-CG 3.24Å; A1080-L1084 WeakPolarHBondContact O-CG 3.31Å; A1080-L1084 PolarHBondContact O-N 3.38Å; T1081-L1084 PolarHBondContact O-N 2.82Å; L1084-L1087 PolarHBondContact O-N 2.98Å; L1084-R1088 PolarHBondContact O-N 3.46Å; L1084-M1177 HydrophobicContact CD2-CE 3.65Å; L1084-M1177 HydrophobicContact CD2-SD 4.38Å; L1084-V1180 HydrophobicContact CD2-CG1 4.34Å; L1084-V1241 HydrophobicContact CB-CG1 4.26Å; L1084-V1241 HydrophobicContact CD2-CG1 4.36Å; L1084-V1241 WeakPolarHBondContact O-CG1 3.2Å; L1084-L1245 HydrophobicContact CB-CD1 4.36Å; L1084-L1245 HydrophobicContact CB-CD2 3.64Å; L1084-L1245 HydrophobicContact CB-CG 3.87Å; L1084-L1245 HydrophobicContact CD1-CD2 4.01Å; L1084-L1245 HydrophobicContact CD1-CG 4.23Å; L1084-L1245 HydrophobicContact CG-CD2 4.49Å; L1084-M1250 HydrophobicContact CD1-CE 4.13Å
1085V97.6Very high95Very high3 Ų322.9 Ų22.92%0.01811%0.106CC..Hα-helixtrans-64.9-41.4175.9170.90000111.6T1081 Q1082 L1087 R1088 Y1089 L1245 F1272 L1273T1081-V1085 HydrophobicContact CG2-CG2 4.48Å; T1081-V1085 WeakPolarHBondContact O-CG2 3.43Å; T1081-V1085 PolarHBondContact O-N 3.41Å; Q1082-V1085 PolarHBondContact O-N 3.4Å; V1085-L1087 VanDerWaalsContact C-N 3.35Å; V1085-R1088 WeakPolarHBondContact O-CB 3.45Å; V1085-R1088 PolarHBondContact O-N 2.83Å; V1085-Y1089 PolarHBondContact O-N 2.89Å; V1085-Y1089 VanDerWaalsContact O-N 3.15Å; V1085-L1245 HydrophobicContact CG2-CD1 4.37Å; V1085-L1245 HydrophobicContact CG2-CD2 4.27Å; V1085-F1272 VanDerWaalsContact CG1-O 3.29Å; V1085-F1272 WeakPolarHBondContact CG1-O 3.42Å; V1085-L1273 HydrophobicContact CB-CD2 4.06Å; V1085-L1273 HydrophobicContact CG1-CD2 4.09Å; V1085-L1273 HydrophobicContact CG2-CD2 4.28Å
1086A97.4Very high94.6Very high0 Ų022.4 Ų22.40%010%0.103CC..Hα-helixtrans-62.3-40.9172.700000112G1034 Q1082 I1083 Y1089 L1090 L1136G1034-A1086 WeakPolarHBondContact O-CB 3.26Å; Q1082-A1086 WeakPolarHBondContact O-CB 3.29Å; Q1082-A1086 PolarHBondContact O-N 2.65Å; I1083-A1086 PolarHBondContact O-N 3.06Å; A1086-Y1089 WeakPolarHBondContact O-CB 3.49Å; A1086-Y1089 PolarHBondContact O-N 2.9Å; A1086-L1090 WeakPolarHBondContact O-CG 3.45Å; A1086-L1090 PolarHBondContact O-N 3.24Å; A1086-L1090 VanDerWaalsContact O-N 3.11Å; A1086-L1136 HydrophobicContact CB-CD1 3.73Å; A1086-L1136 HydrophobicContact CB-CG 4.13Å
1087L97.3Very high94.3Very high0 Ų022.4 Ų22.40%010%0.103CC..Hα-helixtrans-66.6-36174.5-72.2168.3000112.9I1083 L1084 V1085 Y1089 L1090 H1091 L1100 L1136 D1176 V1180 V1241I1083-L1087 HydrophobicContact CG2-CD1 3.92Å; I1083-L1087 WeakPolarHBondContact O-CG 3.27Å; I1083-L1087 PolarHBondContact O-N 2.73Å; L1084-L1087 PolarHBondContact O-N 2.98Å; V1085-L1087 VanDerWaalsContact C-N 3.35Å; L1087-Y1089 VanDerWaalsContact C-N 3.28Å; L1087-Y1089 PolarHBondContact O-N 3.43Å; L1087-L1090 HydrophobicContact CD2-CD1 4.29Å; L1087-L1090 PolarHBondContact O-N 3.09Å; L1087-H1091 VanDerWaalsContact O-CB 3.22Å; L1087-H1091 WeakPolarHBondContact O-CB 3.22Å; L1087-H1091 PolarHBondContact O-CD2 3.1Å; L1087-H1091 PolarHBondContact O-N 3.25Å; L1087-L1100 HydrophobicContact CD1-CD1 3.7Å; L1087-L1100 HydrophobicContact CD2-CD1 3.84Å; L1087-L1100 HydrophobicContact CG-CD1 4.3Å; L1087-L1136 HydrophobicContact CD2-CD1 4.3Å; L1087-L1136 HydrophobicContact CG-CD1 4.33Å; L1087-D1176 HydrophobicContact CD1-CB 4.47Å; L1087-D1176 HydrophobicContact CD2-CB 4.02Å; L1087-V1180 HydrophobicContact CD1-CG2 3.55Å; L1087-V1241 HydrophobicContact CB-CG2 3.96Å
1088R96Very high93.9Very high96 Ų9621.8 Ų21.836%0.36210%0.101SC..Hα-helixtrans-56.2-47.3172.1-168173.758.1-177.3-4.3110.4L1084 V1085 L1090 L1092 V1241L1084-R1088 PolarHBondContact O-N 3.46Å; V1085-R1088 WeakPolarHBondContact O-CB 3.45Å; V1085-R1088 PolarHBondContact O-N 2.83Å; R1088-L1090 PolarHBondContact O-N 2.9Å; R1088-L1092 HydrophobicContact CG-CD1 3.92Å; R1088-L1092 HydrophobicContact CG-CG 4.45Å; R1088-L1092 VanDerWaalsContact O-CB 3.3Å; R1088-L1092 WeakPolarHBondContact O-CB 3.34Å; R1088-L1092 WeakPolarHBondContact O-CD1 3.12Å; R1088-L1092 WeakPolarHBondContact O-CG 3.47Å; R1088-L1092 PolarHBondContact O-N 3.07Å; R1088-V1241 HydrophobicContact CB-CG1 3.72Å; R1088-V1241 HydrophobicContact CG-CG1 4.39Å
1089Y95.2Very high93.4Very high31 Ų3122 Ų2212%0.12210%0.102CC..Hα-helixtrans-60.3-42178.7169.7-91.3000112.9L1030 N1031 H1032 V1085 A1086 L1087 R1093L1030-Y1089 HydrophobicContact CB-CE1 4.33Å; L1030-Y1089 HydrophobicContact CD2-CE1 3.79Å; N1031-Y1089 PolarHBondContact N-OH 3.44Å; N1031-Y1089 WeakPolarHBondContact O-CE2 3.37Å; N1031-Y1089 PolarHBondContact O-OH 3.45Å; H1032-Y1089 HydrophobicContact CB-CD1 3.57Å; H1032-Y1089 HydrophobicContact CB-CD2 3.91Å; H1032-Y1089 HydrophobicContact CB-CE1 3.61Å; H1032-Y1089 HydrophobicContact CB-CE2 3.94Å; H1032-Y1089 HydrophobicContact CB-CG 3.74Å; H1032-Y1089 AromaticContact CD2-CD2 3.75Å; H1032-Y1089 AromaticContact CD2-CG 3.72Å; H1032-Y1089 AromaticContact CG-CD1 3.9Å; H1032-Y1089 AromaticContact CG-CG 3.69Å; V1085-Y1089 PolarHBondContact O-N 2.89Å; V1085-Y1089 VanDerWaalsContact O-N 3.15Å; A1086-Y1089 WeakPolarHBondContact O-CB 3.49Å; A1086-Y1089 PolarHBondContact O-N 2.9Å; L1087-Y1089 VanDerWaalsContact C-N 3.28Å; L1087-Y1089 PolarHBondContact O-N 3.43Å; Y1089-R1093 VanDerWaalsContact CD2-NH1 3.3Å; Y1089-R1093 PolarHBondContact O-NH1 3.15Å; Y1089-R1093 PolarHBondContact OH-NE 3.29Å
1090L94.1Very high93.1Very high0 Ų022 Ų220%010%0.102CC..Hα-helixtrans-70.4-50.6176.9-64.6175.9000112L1030 V1035 A1086 L1087 R1088 L1092 R1093 S1094 I1095 L1136 F1139L1030-L1090 HydrophobicContact CD1-CD2 3.58Å; L1030-L1090 HydrophobicContact CD2-CD2 3.93Å; L1030-L1090 HydrophobicContact CG-CD2 4.41Å; V1035-L1090 HydrophobicContact CG2-CD2 4.41Å; A1086-L1090 WeakPolarHBondContact O-CG 3.45Å; A1086-L1090 PolarHBondContact O-N 3.24Å; A1086-L1090 VanDerWaalsContact O-N 3.11Å; L1087-L1090 HydrophobicContact CD2-CD1 4.29Å; L1087-L1090 PolarHBondContact O-N 3.09Å; R1088-L1090 PolarHBondContact O-N 2.9Å; L1090-L1092 VanDerWaalsContact C-N 3.31Å; L1090-L1092 PolarHBondContact O-N 3.02Å; L1090-R1093 CarbonylContact O-C 3.54Å; L1090-R1093 WeakPolarHBondContact O-CA 3.14Å; L1090-R1093 WeakPolarHBondContact O-CB 3.26Å; L1090-R1093 PolarHBondContact O-N 3.02Å; L1090-S1094 PolarHBondContact O-N 3.25Å; L1090-I1095 CarbonylContact C-O 3.47Å; L1090-I1095 VanDerWaalsContact C-O 3.27Å; L1090-I1095 HydrophobicContact CB-CB 4.28Å; L1090-I1095 HydrophobicContact CB-CG2 4.38Å; L1090-I1095 HydrophobicContact CD2-CB 4.45Å; L1090-I1095 HydrophobicContact CD2-CG2 4.09Å; L1090-I1095 PolarHBondContact O-N 3.18Å; L1090-L1136 HydrophobicContact CD1-CD1 4.12Å; L1090-F1139 HydrophobicContact CD1-CE1 3.83Å; L1090-F1139 HydrophobicContact CD1-CZ 4.09Å; L1090-F1139 HydrophobicContact CD2-CE1 3.79Å; L1090-F1139 HydrophobicContact CD2-CZ 4.24Å; L1090-F1139 HydrophobicContact CG-CE1 4.5Å
1091H92.8Very high92.8Very high7 Ų723 Ų233%0.03211%0.106CC..Hα-helixtrans-65.6-31.7-175.4-71.6-167.8000112.6L1087 R1093 S1094 I1095 R1173 D1176L1087-H1091 VanDerWaalsContact O-CB 3.22Å; L1087-H1091 WeakPolarHBondContact O-CB 3.22Å; L1087-H1091 PolarHBondContact O-CD2 3.1Å; L1087-H1091 PolarHBondContact O-N 3.25Å; H1091-R1093 VanDerWaalsContact C-N 3.26Å; H1091-R1093 PolarHBondContact O-N 2.94Å; H1091-S1094 PolarHBondContact O-N 3.05Å; H1091-S1094 VanDerWaalsContact O-N 3.13Å; H1091-I1095 PolarHBondContact CD2-O 3.37Å; H1091-I1095 VanDerWaalsContact CD2-O 3.31Å; H1091-R1173 PolarHBondContact CE1-O 2.81Å; H1091-R1173 VanDerWaalsContact CE1-O 3.25Å; H1091-D1176 IonicContact CD2-OD2 2.98Å; H1091-D1176 IonicContact CE1-OD2 3.1Å; H1091-D1176 IonicContact NE2-OD2 3.91Å; H1091-D1176 PolarHBondContact NE2-OD2 3.32Å
1092L89.5Confident92.4Very high128 Ų12822.3 Ų22.367%0.6710%0.102SC*.THydrogen-bonded Turntrans-68.9-22.4170.9-74.8171.5000113.2R1088 L1090 S1094R1088-L1092 HydrophobicContact CG-CD1 3.92Å; R1088-L1092 HydrophobicContact CG-CG 4.45Å; R1088-L1092 VanDerWaalsContact O-CB 3.3Å; R1088-L1092 WeakPolarHBondContact O-CB 3.34Å; R1088-L1092 WeakPolarHBondContact O-CD1 3.12Å; R1088-L1092 WeakPolarHBondContact O-CG 3.47Å; R1088-L1092 PolarHBondContact O-N 3.07Å; L1090-L1092 VanDerWaalsContact C-N 3.31Å; L1090-L1092 PolarHBondContact O-N 3.02Å; L1092-S1094 VanDerWaalsContact C-N 3.28Å
1093R88.1Confident91.9Very high121 Ų12125 Ų2546%0.45711%0.114SC..THydrogen-bonded Turntrans-93.215.7171-72.6168.1172.564.19112.1Y1089 L1090 H1091 I1095Y1089-R1093 VanDerWaalsContact CD2-NH1 3.3Å; Y1089-R1093 PolarHBondContact O-NH1 3.15Å; Y1089-R1093 PolarHBondContact OH-NE 3.29Å; L1090-R1093 CarbonylContact O-C 3.54Å; L1090-R1093 WeakPolarHBondContact O-CA 3.14Å; L1090-R1093 WeakPolarHBondContact O-CB 3.26Å; L1090-R1093 PolarHBondContact O-N 3.02Å; H1091-R1093 VanDerWaalsContact C-N 3.26Å; H1091-R1093 PolarHBondContact O-N 2.94Å; R1093-I1095 HydrophobicContact CB-CD1 4Å; R1093-I1095 HydrophobicContact CB-CG1 4.36Å; R1093-I1095 PolarHBondContact O-N 3.03Å; R1093-I1095 VanDerWaalsContact O-N 3.08Å
1094S82.1Confident91.6Very high31 Ų3125.5 Ų25.522%0.21712%0.117CC..THydrogen-bonded Turntrans57.813.5-172.5-62.80000114.5L1090 H1091 L1092 I1144 I1145L1090-S1094 PolarHBondContact O-N 3.25Å; H1091-S1094 PolarHBondContact O-N 3.05Å; H1091-S1094 VanDerWaalsContact O-N 3.13Å; L1092-S1094 VanDerWaalsContact C-N 3.28Å; S1094-I1144 CarbonylContact O-C 3.59Å; S1094-I1144 WeakPolarHBondContact O-CA 3.3Å; S1094-I1145 WeakPolarHBondContact CB-O 3.39Å; S1094-I1145 PolarHBondContact O-N 2.99Å
1095I87.8Confident91.5Very high8 Ų825.3 Ų25.34%0.04112%0.116CC..EExtended strand (participates in β ladder)trans-88.3126.9-179.4-66.4160.8000109.5I1026 L1030 L1090 H1091 R1093 A1142 R1143 I1144I1026-I1095 HydrophobicContact CG2-CD1 4.17Å; I1026-I1095 HydrophobicContact CG2-CG2 4.18Å; L1030-I1095 HydrophobicContact CD2-CD1 3.64Å; L1090-I1095 CarbonylContact C-O 3.47Å; L1090-I1095 VanDerWaalsContact C-O 3.27Å; L1090-I1095 HydrophobicContact CB-CB 4.28Å; L1090-I1095 HydrophobicContact CB-CG2 4.38Å; L1090-I1095 HydrophobicContact CD2-CB 4.45Å; L1090-I1095 HydrophobicContact CD2-CG2 4.09Å; L1090-I1095 PolarHBondContact O-N 3.18Å; H1091-I1095 PolarHBondContact CD2-O 3.37Å; H1091-I1095 VanDerWaalsContact CD2-O 3.31Å; R1093-I1095 HydrophobicContact CB-CD1 4Å; R1093-I1095 HydrophobicContact CB-CG1 4.36Å; R1093-I1095 PolarHBondContact O-N 3.03Å; R1093-I1095 VanDerWaalsContact O-N 3.08Å; I1095-A1142 HydrophobicContact CG2-CB 4.43Å; I1095-R1143 WeakPolarHBondContact CA-O 3.47Å; I1095-I1144 HydrophobicContact CG1-CG1 3.98Å
1096V86.9Confident91.4Very high1 Ų127.1 Ų27.11%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-112.9131.1175.9-175.10000108.5C1098 A1142 R1143 I1145 R1173 I1175 D1176V1096-C1098 PolarHBondContact O-SG 2.87Å; V1096-C1098 VanDerWaalsContact O-SG 3.37Å; V1096-A1142 CarbonylContact O-C 3.41Å; V1096-A1142 WeakPolarHBondContact O-CA 3.44Å; V1096-R1143 PolarHBondContact N-O 2.7Å; V1096-R1143 PolarHBondContact O-N 2.92Å; V1096-I1145 HydrophobicContact CB-CD1 4.05Å; V1096-I1145 HydrophobicContact CB-CG1 4.42Å; V1096-I1145 HydrophobicContact CG2-CB 4.07Å; V1096-I1145 HydrophobicContact CG2-CD1 3.8Å; V1096-I1145 HydrophobicContact CG2-CG1 3.97Å; V1096-R1173 HydrophobicContact CG2-CB 3.79Å; V1096-I1175 HydrophobicContact CG1-CD1 3.88Å; V1096-I1175 HydrophobicContact CG1-CG1 3.69Å; V1096-D1176 WeakPolarHBondContact CG1-OD2 3.39Å
1097H90.9Very high91.3Very high0 Ų027.9 Ų27.90%013%0.129CC..  trans-73.3-38.7-171.3-170.2-93.6000113.1D1099 L1100 C1137 F1139 F1141 A1142 D1176H1097-D1099 PolarHBondContact CE1-O 2.9Å; H1097-D1099 VanDerWaalsContact ND1-C 3.32Å; H1097-D1099 PolarHBondContact ND1-O 3.26Å; H1097-D1099 PolarHBondContact O-N 3.03Å; H1097-L1100 HydrophobicContact CB-CD2 4.39Å; H1097-L1100 HydrophobicContact CB-CG 4.02Å; H1097-L1100 PolarHBondContact ND1-N 2.88Å; H1097-C1137 PolarHBondContact CE1-O 2.97Å; H1097-C1137 PolarHBondContact NE2-O 3.24Å; H1097-F1139 AromaticContact CD2-CE1 3.83Å; H1097-F1141 CarbonylContact O-C 3.51Å; H1097-A1142 WeakPolarHBondContact O-CA 3.49Å; H1097-A1142 PolarHBondContact O-N 3.33Å; H1097-D1176 PolarHBondContact N-OD1 2.9Å; H1097-D1176 PolarHBondContact N-OD2 3.38Å
1098C87.6Confident91.1Very high7 Ų728.7 Ų28.75%0.04714%0.136CC..SBendtrans66.8-13.6174.1-51.10000117.5V1096 F1141 R1143 V1155 G1156 I1175 D1176V1096-C1098 PolarHBondContact O-SG 2.87Å; V1096-C1098 VanDerWaalsContact O-SG 3.37Å; C1098-F1141 HydrophobicContact CB-CB 4.03Å; C1098-F1141 VanDerWaalsContact CB-O 3.3Å; C1098-F1141 WeakPolarHBondContact CB-O 3.5Å; C1098-F1141 PolarHBondContact SG-O 3.33Å; C1098-R1143 PolarHBondContact SG-NE 3.42Å; C1098-V1155 HydrophobicContact CB-CG2 4.14Å; C1098-G1156 WeakPolarHBondContact O-CA 2.97Å; C1098-I1175 HydrophobicContact CB-CD1 4.06Å; C1098-D1176 PolarHBondContact N-OD1 3.35Å
1099D86.7Confident90.7Very high4 Ų427.2 Ų27.22%0.02114%0.135CC..  trans-139.252.6172.5-167.642.3000111.5H1097 K1101 N1104 F1141 G1156 T1157H1097-D1099 PolarHBondContact CE1-O 2.9Å; H1097-D1099 VanDerWaalsContact ND1-C 3.32Å; H1097-D1099 PolarHBondContact ND1-O 3.26Å; H1097-D1099 PolarHBondContact O-N 3.03Å; D1099-K1101 IonicContact OD1-NZ 2.66Å; D1099-K1101 IonicContact OD2-NZ 3.98Å; D1099-K1101 PolarHBondContact OD2-NZ 3.04Å; D1099-N1104 PolarHBondContact O-ND2 3.07Å; D1099-N1104 PolarHBondContact OD2-ND2 3.36Å; D1099-F1141 HydrophobicContact CB-CB 4.19Å; D1099-F1141 HydrophobicContact CB-CD2 3.56Å; D1099-F1141 HydrophobicContact CB-CE2 4.22Å; D1099-F1141 HydrophobicContact CB-CG 4.24Å; D1099-G1156 WeakPolarHBondContact OD1-CA 3.34Å; D1099-T1157 WeakPolarHBondContact OD1-CB 3.45Å; D1099-T1157 PolarHBondContact OD1-N 3.4Å; D1099-T1157 PolarHBondContact OD1-OG1 3.04Å
1100L93Very high90.1Very high0 Ų025.9 Ų25.90%013%0.13CC..  trans-72.8129.8171.6-82.5178.8000111L1087 H1097 L1136 D1176 S1179 V1180 I1183L1087-L1100 HydrophobicContact CD1-CD1 3.7Å; L1087-L1100 HydrophobicContact CD2-CD1 3.84Å; L1087-L1100 HydrophobicContact CG-CD1 4.3Å; H1097-L1100 HydrophobicContact CB-CD2 4.39Å; H1097-L1100 HydrophobicContact CB-CG 4.02Å; H1097-L1100 PolarHBondContact ND1-N 2.88Å; L1100-L1136 HydrophobicContact CD2-CD1 4.28Å; L1100-L1136 HydrophobicContact CD2-CD2 3.9Å; L1100-D1176 HydrophobicContact CD1-CB 3.69Å; L1100-S1179 WeakPolarHBondContact O-CB 3.5Å; L1100-V1180 HydrophobicContact CD1-CG2 4.03Å; L1100-I1183 HydrophobicContact CB-CD1 4.18Å
1101K91.5Very high89.4Confident24 Ų2428.9 Ų28.910%0.10415%0.149CC..  trans-165.2161.4175.360-175.3-175.8-120.30108.7D1099 E1103 N1104 T1157 Y1160D1099-K1101 IonicContact OD1-NZ 2.66Å; D1099-K1101 IonicContact OD2-NZ 3.98Å; D1099-K1101 PolarHBondContact OD2-NZ 3.04Å; K1101-E1103 WeakPolarHBondContact CB-OE2 3.16Å; K1101-E1103 HydrophobicContact CD-CB 4.39Å; K1101-E1103 WeakPolarHBondContact CD-OE2 3.34Å; K1101-E1103 HydrophobicContact CG-CB 4.26Å; K1101-E1103 VanDerWaalsContact CG-OE2 3.28Å; K1101-E1103 WeakPolarHBondContact CG-OE2 3.37Å; K1101-E1103 PolarHBondContact O-N 2.93Å; K1101-N1104 HydrophobicContact CG-CB 4.11Å; K1101-N1104 PolarHBondContact NZ-ND2 3.18Å; K1101-N1104 PolarHBondContact O-N 3.25Å; K1101-T1157 HydrophobicContact CD-CG2 4.33Å; K1101-T1157 PolarHBondContact NZ-OG1 3.45Å; K1101-Y1160 HydrophobicContact CB-CD1 4.03Å; K1101-Y1160 HydrophobicContact CB-CD2 3.71Å; K1101-Y1160 HydrophobicContact CB-CE1 3.95Å; K1101-Y1160 HydrophobicContact CB-CE2 3.59Å; K1101-Y1160 HydrophobicContact CB-CG 3.94Å
1102P91.3Very high88.4Confident0 Ų029.7 Ų29.70%015%0.154CC..G310 helixtrans-56.9-32.1-177.1-24.936.1000114M1059 L1060 I1063 N1104 V1105 Y1160 I1183M1059-P1102 HydrophobicContact CB-CB 3.97Å; M1059-P1102 WeakPolarHBondContact CB-O 3.41Å; M1059-P1102 HydrophobicContact CG-CB 4.24Å; M1059-P1102 PolarHBondContact N-O 3.37Å; M1059-P1102 HydrophobicContact SD-CB 4.47Å; L1060-P1102 HydrophobicContact CB-CB 4Å; I1063-P1102 HydrophobicContact CD1-CB 4.12Å; I1063-P1102 HydrophobicContact CD1-CG 4.19Å; P1102-N1104 PolarHBondContact O-N 3.23Å; P1102-V1105 PolarHBondContact O-N 3.04Å; P1102-V1105 VanDerWaalsContact O-N 3.11Å; P1102-Y1160 VanDerWaalsContact CD-CZ 3.47Å; P1102-Y1160 WeakPolarHBondContact CD-OH 3.43Å; P1102-I1183 HydrophobicContact CG-CG1 4.2Å
1103E87.9Confident87.5Confident59 Ų5928.4 Ų28.428%0.27615%0.151SC..G310 helixtrans-63.7-26175.2-52.597.1118.500113.4L1060 K1101L1060-E1103 HydrophobicContact CB-CG 4.04Å; L1060-E1103 HydrophobicContact CD2-CG 3.59Å; L1060-E1103 HydrophobicContact CG-CG 4.44Å; K1101-E1103 WeakPolarHBondContact CB-OE2 3.16Å; K1101-E1103 HydrophobicContact CD-CB 4.39Å; K1101-E1103 WeakPolarHBondContact CD-OE2 3.34Å; K1101-E1103 HydrophobicContact CG-CB 4.26Å; K1101-E1103 VanDerWaalsContact CG-OE2 3.28Å; K1101-E1103 WeakPolarHBondContact CG-OE2 3.37Å; K1101-E1103 PolarHBondContact O-N 2.93Å
1104N91.3Very high86.8Confident12 Ų1228 Ų286%0.06416%0.158CC..G310 helixtrans-97.310.8178.8-69.9-4.2000112.2D1099 K1101 P1102 C1137D1099-N1104 PolarHBondContact O-ND2 3.07Å; D1099-N1104 PolarHBondContact OD2-ND2 3.36Å; K1101-N1104 HydrophobicContact CG-CB 4.11Å; K1101-N1104 PolarHBondContact NZ-ND2 3.18Å; K1101-N1104 PolarHBondContact O-N 3.25Å; P1102-N1104 PolarHBondContact O-N 3.23Å; N1104-C1137 PolarHBondContact O-N 2.78Å
1105V96Very high86.6Confident0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-111.791.4173-178.20000107.6D1058 M1059 I1083 P1102 I1134 L1136D1058-V1105 CarbonylContact C-O 3.53Å; D1058-V1105 WeakPolarHBondContact CA-O 3.18Å; M1059-V1105 HydrophobicContact CB-CB 3.86Å; M1059-V1105 HydrophobicContact CB-CG1 4.04Å; M1059-V1105 PolarHBondContact N-O 3.11Å; M1059-V1105 HydrophobicContact SD-CB 4.25Å; M1059-V1105 HydrophobicContact SD-CG1 4.06Å; M1059-V1105 HydrophobicContact SD-CG2 4.46Å; I1083-V1105 HydrophobicContact CD1-CG1 4.1Å; I1083-V1105 HydrophobicContact CD1-CG2 4.1Å; I1083-V1105 HydrophobicContact CG1-CG1 4.21Å; I1083-V1105 HydrophobicContact CG1-CG2 4.44Å; P1102-V1105 PolarHBondContact O-N 3.04Å; P1102-V1105 VanDerWaalsContact O-N 3.11Å; V1105-I1134 HydrophobicContact CG1-CB 3.72Å; V1105-I1134 HydrophobicContact CG1-CD1 4.39Å; V1105-I1134 HydrophobicContact CG1-CG1 4.38Å; V1105-I1134 HydrophobicContact CG1-CG2 3.91Å; V1105-L1136 HydrophobicContact CG2-CD2 3.94Å
1106L96Very high86Confident41 Ų4130.9 Ų30.922%0.21517%0.171CC..EExtended strand (participates in β ladder)trans-80.4154.3-177.6-58.6-178.7000111.6L1055 G1057 D1058 I1134 K1135 C1137L1055-L1106 HydrophobicContact CB-CB 4.11Å; L1055-L1106 HydrophobicContact CD1-CB 3.44Å; L1055-L1106 VanDerWaalsContact CD1-CB 3.44Å; L1055-L1106 HydrophobicContact CD1-CD1 3.84Å; L1055-L1106 HydrophobicContact CD1-CG 4.29Å; L1055-L1106 HydrophobicContact CG-CB 4.41Å; G1057-L1106 WeakPolarHBondContact O-CA 3.39Å; D1058-L1106 HydrophobicContact CB-CD2 3.94Å; L1106-I1134 CarbonylContact O-C 3.53Å; L1106-I1134 VanDerWaalsContact O-CA 3.3Å; L1106-I1134 WeakPolarHBondContact O-CA 3.44Å; L1106-K1135 PolarHBondContact N-O 3.11Å; L1106-K1135 PolarHBondContact O-N 2.88Å; L1106-C1137 HydrophobicContact CD1-CB 3.65Å; L1106-C1137 HydrophobicContact CG-CB 4.01Å; L1106-C1137 VanDerWaalsContact CG-SG 3.57Å
1107L95.8Very high85.7Confident15 Ų1537.4 Ų37.48%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-115.3127-172.9-53.6-179.3000111.8A1056 G1057 D1058 M1062 P1132 Q1133 I1134A1056-L1107 WeakPolarHBondContact CB-O 3.36Å; A1056-L1107 PolarHBondContact N-O 3.08Å; G1057-L1107 PolarHBondContact O-N 2.84Å; D1058-L1107 WeakPolarHBondContact O-CD1 3.48Å; M1062-L1107 HydrophobicContact CB-CD1 3.78Å; M1062-L1107 HydrophobicContact CG-CD1 4.25Å; M1062-L1107 HydrophobicContact SD-CD1 3.92Å; L1107-P1132 HydrophobicContact CB-CB 4.1Å; L1107-P1132 HydrophobicContact CB-CG 4.42Å; L1107-P1132 HydrophobicContact CD1-CG 4.33Å; L1107-P1132 HydrophobicContact CD2-CB 4.36Å; L1107-P1132 HydrophobicContact CD2-CG 3.94Å; L1107-P1132 HydrophobicContact CG-CG 4.46Å; L1107-Q1133 WeakPolarHBondContact CA-O 3.2Å; L1107-I1134 HydrophobicContact CD2-CG2 3.99Å
1108A92.7Very high85.2Confident17 Ų1739.5 Ų39.514%0.1422%0.217CC..EExtended strand (participates in β ladder)trans-108.2127.3167.200000109.1L1055 P1110 P1132 Q1133L1055-A1108 HydrophobicContact CD2-CB 3.66Å; A1108-P1110 WeakPolarHBondContact O-CD 3.34Å; A1108-P1132 CarbonylContact O-C 3.56Å; A1108-P1132 WeakPolarHBondContact O-CA 3.49Å; A1108-P1132 WeakPolarHBondContact O-CB 3.47Å; A1108-Q1133 HydrophobicContact CB-CB 4.09Å; A1108-Q1133 PolarHBondContact N-O 3.35Å; A1108-Q1133 PolarHBondContact O-N 3.42Å
1109I86.9Confident85Confident66 Ų6641.6 Ų41.634%0.33824%0.239SC..PPolyproline II helixtrans-80.2120.7174.3-58.7163.1000107.4A1056 Q1129A1056-I1109 HydrophobicContact CB-CD1 4.03Å; A1056-I1109 HydrophobicContact CB-CG1 4.2Å; I1109-Q1129 HydrophobicContact CD1-CG 3.88Å; I1109-Q1129 HydrophobicContact CG1-CG 4.24Å; I1109-Q1129 HydrophobicContact CG2-CG 4.17Å
1110P83Confident84.9Confident2 Ų241.6 Ų41.61%0.01324%0.239CC..PPolyproline II helixtrans-62.4145.2177.8-22.134.2000111.1A1108 N1112 L1262 T1265 L1266 W1317A1108-P1110 WeakPolarHBondContact O-CD 3.34Å; P1110-N1112 PolarHBondContact O-N 3.05Å; P1110-L1262 HydrophobicContact CB-CD1 4.25Å; P1110-L1262 HydrophobicContact CG-CD1 3.45Å; P1110-L1262 VanDerWaalsContact CG-CD1 3.45Å; P1110-T1265 HydrophobicContact CB-CG2 3.74Å; P1110-L1266 HydrophobicContact CB-CD2 4.33Å; P1110-W1317 HydrophobicContact CB-CH2 3.76Å; P1110-W1317 HydrophobicContact CB-CZ3 4.46Å; P1110-W1317 HydrophobicContact CG-CH2 3.79Å; P1110-W1317 HydrophobicContact CG-CZ2 4.26Å
1111P78.8Confident84.4Confident64 Ų6444 Ų4442%0.41626%0.255SS..PPolyproline II helixtrans-64135.5173.427.8-34.1000110.3T1113 T1265P1111-T1113 VanDerWaalsContact C-N 3.34Å; P1111-T1265 HydrophobicContact CG-CG2 4.07Å; P1111-T1265 WeakPolarHBondContact O-CG2 3.35Å
1112N72.1Confident84.1Confident23 Ų2349 Ų4912%0.12328%0.279CS..  trans-944.3172.7-163.255.6000112.1P1110 V1115 E1122 V1123P1110-N1112 PolarHBondContact O-N 3.05Å; N1112-V1115 WeakPolarHBondContact O-CG2 3.44Å; N1112-E1122 WeakPolarHBondContact ND2-CG 3.47Å; N1112-V1123 PolarHBondContact ND2-O 3.44Å
1113T71.6Confident83.8Confident101 Ų10150 Ų5062%0.6229%0.285SS*.SBendtrans-76.3151.4176.5510000111P1111 V1115P1111-T1113 VanDerWaalsContact C-N 3.34Å; T1113-V1115 PolarHBondContact O-N 3.31Å
1114D72.9Confident83.5Confident113 Ų11350.3 Ų50.360%0.60429%0.293SS*.SBendtrans60.91.1176.4-55.9-54.6000117.2N1116 N1117D1114-N1116 PolarHBondContact O-N 2.98Å; D1114-N1116 VanDerWaalsContact O-N 3.14Å; D1114-N1117 WeakPolarHBondContact O-CB 3.38Å; D1114-N1117 PolarHBondContact O-N 3.06Å; D1114-N1117 PolarHBondContact OD1-ND2 3.45Å
1115V76.9Confident83.1Confident2 Ų254.2 Ų54.21%0.01231%0.311CS..G310 helixtrans-56-33.7179.4-620000113.5N1112 T1113 N1117 M1118 G1119 L1120 E1122N1112-V1115 WeakPolarHBondContact O-CG2 3.44Å; T1113-V1115 PolarHBondContact O-N 3.31Å; V1115-N1117 VanDerWaalsContact C-N 3.31Å; V1115-N1117 PolarHBondContact O-N 2.85Å; V1115-M1118 WeakPolarHBondContact O-CB 3.27Å; V1115-M1118 PolarHBondContact O-N 3.45Å; V1115-G1119 PolarHBondContact O-N 2.78Å; V1115-L1120 CarbonylContact C-O 3.58Å; V1115-L1120 HydrophobicContact CB-CB 4.29Å; V1115-L1120 PolarHBondContact O-N 3.18Å; V1115-L1120 VanDerWaalsContact O-N 3.08Å; V1115-E1122 HydrophobicContact CG2-CB 4.29Å; V1115-E1122 HydrophobicContact CG2-CG 4.46Å
1116N77Confident82.4Confident97 Ų9757.6 Ų57.652%0.51934%0.335SS..G310 helixtrans-64.1-35176.6-65.7-35.7000111.9D1114 M1118 G1119 L1120 E1122D1114-N1116 PolarHBondContact O-N 2.98Å; D1114-N1116 VanDerWaalsContact O-N 3.14Å; N1116-M1118 PolarHBondContact O-N 2.83Å; N1116-G1119 PolarHBondContact O-N 3.05Å; N1116-L1120 PolarHBondContact OD1-O 2.92Å; N1116-E1122 PolarHBondContact ND2-OE2 3.49Å
1117N80.8Confident81.9Confident139 Ų13956.5 Ų56.574%0.74333%0.33SS*.G310 helixtrans-68.1-18.6175.7-63-32.3000112.3D1114 V1115 G1119D1114-N1117 WeakPolarHBondContact O-CB 3.38Å; D1114-N1117 PolarHBondContact O-N 3.06Å; D1114-N1117 PolarHBondContact OD1-ND2 3.45Å; V1115-N1117 VanDerWaalsContact C-N 3.31Å; V1115-N1117 PolarHBondContact O-N 2.85Å; N1117-G1119 VanDerWaalsContact C-N 3.35Å
1118M78.9Confident81.3Confident43 Ų4355.8 Ų55.821%0.21233%0.326CS..G310 helixtrans-90.2-0.4174.8-45.2-168.770.700113V1115 N1116 L1120 A1264 E1269 K1313V1115-M1118 WeakPolarHBondContact O-CB 3.27Å; V1115-M1118 PolarHBondContact O-N 3.45Å; N1116-M1118 PolarHBondContact O-N 2.83Å; M1118-L1120 VanDerWaalsContact C-N 3.3Å; M1118-L1120 HydrophobicContact CB-CD1 4.3Å; M1118-L1120 HydrophobicContact CB-CG 4.27Å; M1118-A1264 HydrophobicContact CE-CB 4.14Å; M1118-A1264 WeakPolarHBondContact CE-O 3.39Å; M1118-E1269 HydrophobicContact CE-CG 4.11Å; M1118-K1313 PolarHBondContact O-NZ 3.15Å
1119G82.9Confident80.9Confident51 Ų5159.6 Ų59.653%0.52634%0.341SS..THydrogen-bonded Turntrans65.830.7-171.200000113.1V1115 N1116 N1117 K1313V1115-G1119 PolarHBondContact O-N 2.78Å; N1116-G1119 PolarHBondContact O-N 3.05Å; N1117-G1119 VanDerWaalsContact C-N 3.35Å; G1119-K1313 WeakPolarHBondContact O-CD 3.28Å
1120L85.1Confident81Confident4 Ų460.5 Ų60.52%0.02134%0.344CS..  trans-105139.9172.9-65.8174.2000109.9V1115 N1116 M1118 R1261 A1264 W1312 K1313V1115-L1120 CarbonylContact C-O 3.58Å; V1115-L1120 HydrophobicContact CB-CB 4.29Å; V1115-L1120 PolarHBondContact O-N 3.18Å; V1115-L1120 VanDerWaalsContact O-N 3.08Å; N1116-L1120 PolarHBondContact OD1-O 2.92Å; M1118-L1120 VanDerWaalsContact C-N 3.3Å; M1118-L1120 HydrophobicContact CB-CD1 4.3Å; M1118-L1120 HydrophobicContact CB-CG 4.27Å; L1120-R1261 HydrophobicContact CD1-CG 4.44Å; L1120-A1264 HydrophobicContact CD1-CB 3.77Å; L1120-W1312 HydrophobicContact CD2-CH2 3.97Å; L1120-W1312 HydrophobicContact CD2-CZ3 3.76Å; L1120-K1313 HydrophobicContact CD2-CB 3.8Å; L1120-K1313 HydrophobicContact CD2-CD 4.04Å; L1120-K1313 HydrophobicContact CD2-CG 3.72Å
1121P83.8Confident81.4Confident52 Ų5260.5 Ų60.534%0.33834%0.344SS..  trans-69.1135.8177.228.9-32.9000110.3R1261 K1313P1121-R1261 VanDerWaalsContact O-CZ 3.27Å; P1121-R1261 PolarHBondContact O-NH1 3.31Å; P1121-R1261 PolarHBondContact O-NH2 3.19Å; P1121-K1313 WeakPolarHBondContact CD-O 3.35Å; P1121-K1313 WeakPolarHBondContact CG-O 3.5Å
1122E84.5Confident82.2Confident127 Ų12757.6 Ų57.659%0.59333%0.325SS*.  trans-61.6137.6170.7-165.2174.8162.900111.1N1112 V1115 N1116N1112-E1122 WeakPolarHBondContact ND2-CG 3.47Å; V1115-E1122 HydrophobicContact CG2-CB 4.29Å; V1115-E1122 HydrophobicContact CG2-CG 4.46Å; N1116-E1122 PolarHBondContact ND2-OE2 3.49Å
1123V84.1Confident83.3Confident23 Ų2357.1 Ų57.114%0.13932%0.322CS..  trans-118.7161.5173.6-61.30000109.9N1112 V1127 A1128 W1317N1112-V1123 PolarHBondContact ND2-O 3.44Å; V1123-V1127 HydrophobicContact CB-CG1 4.41Å; V1123-A1128 HydrophobicContact CG2-CB 4.24Å; V1123-W1317 HydrophobicContact CG2-CE3 4.11Å
1124S83Confident84.5Confident64 Ų6452.3 Ų52.345%0.44829%0.293SS..  trans-70.6149.9176.263.50000111.7S1126 V1127 A1128S1124-S1126 PolarHBondContact O-N 3.21Å; S1124-S1126 PolarHBondContact OG-OG 3.36Å; S1124-V1127 WeakPolarHBondContact O-CA 3.4Å; S1124-V1127 WeakPolarHBondContact O-CB 3.13Å; S1124-V1127 PolarHBondContact O-N 2.87Å; S1124-V1127 VanDerWaalsContact OG-CG2 3.31Å; S1124-V1127 WeakPolarHBondContact OG-CG2 3.32Å; S1124-A1128 PolarHBondContact O-N 3.38Å
1125Q82.8Confident85.7Confident94 Ų9448.1 Ų48.144%0.43927%0.269SS..Hα-helixtrans-57.9-34.5-178.1-167.365.120.500112.9V1127 A1128 Q1129Q1125-V1127 PolarHBondContact O-N 3.35Å; Q1125-A1128 PolarHBondContact O-N 2.94Å; Q1125-Q1129 WeakPolarHBondContact O-CB 3.39Å; Q1125-Q1129 VanDerWaalsContact O-CG 3.24Å; Q1125-Q1129 WeakPolarHBondContact O-CG 3.2Å; Q1125-Q1129 PolarHBondContact O-N 2.96Å
1126S81.4Confident86.6Confident72 Ų7248 Ų4850%0.50327%0.268SS..Hα-helixtrans-67.3-23176.553.60000113.6S1124S1124-S1126 PolarHBondContact O-N 3.21Å; S1124-S1126 PolarHBondContact OG-OG 3.36Å
1127V84.1Confident87.3Confident17 Ų1744.1 Ų44.110%0.10325%0.248CC..Hα-helixtrans-86.2-44.1174.7172.50000110.3V1123 S1124 Q1125 Q1129 Q1130 F1131 W1317 T1319V1123-V1127 HydrophobicContact CB-CG1 4.41Å; S1124-V1127 WeakPolarHBondContact O-CA 3.4Å; S1124-V1127 WeakPolarHBondContact O-CB 3.13Å; S1124-V1127 PolarHBondContact O-N 2.87Å; S1124-V1127 VanDerWaalsContact OG-CG2 3.31Å; S1124-V1127 WeakPolarHBondContact OG-CG2 3.32Å; Q1125-V1127 PolarHBondContact O-N 3.35Å; V1127-Q1129 PolarHBondContact O-N 3.45Å; V1127-Q1130 WeakPolarHBondContact O-CB 3.3Å; V1127-Q1130 PolarHBondContact O-N 3.12Å; V1127-F1131 WeakPolarHBondContact O-CD2 3.44Å; V1127-W1317 HydrophobicContact CG1-CB 4.46Å; V1127-W1317 WeakPolarHBondContact CG1-O 3.12Å; V1127-T1319 HydrophobicContact CB-CG2 4.46Å; V1127-T1319 HydrophobicContact CG1-CG2 3.88Å; V1127-T1319 HydrophobicContact CG2-CG2 3.85Å
1128A83.5Confident87.3Confident0 Ų039.1 Ų39.10%022%0.222CC..Hα-helixtrans-56.6-36.1172.600000112.4V1123 S1124 Q1125 Q1130 F1131 W1317V1123-A1128 HydrophobicContact CG2-CB 4.24Å; S1124-A1128 PolarHBondContact O-N 3.38Å; Q1125-A1128 PolarHBondContact O-N 2.94Å; A1128-Q1130 PolarHBondContact O-N 3.27Å; A1128-F1131 CarbonylContact O-C 3.56Å; A1128-F1131 PolarHBondContact O-N 2.9Å; A1128-F1131 VanDerWaalsContact O-N 3.1Å; A1128-W1317 HydrophobicContact CB-CE3 4.37Å; A1128-W1317 HydrophobicContact CB-CZ3 4.34Å
1129Q85.9Confident87.4Confident98 Ų9837.1 Ų37.146%0.45821%0.212SC..THydrogen-bonded Turntrans-62.3-20.8173.6-79.8171.1-8.700114.8I1109 Q1125 V1127 F1131I1109-Q1129 HydrophobicContact CD1-CG 3.88Å; I1109-Q1129 HydrophobicContact CG1-CG 4.24Å; I1109-Q1129 HydrophobicContact CG2-CG 4.17Å; Q1125-Q1129 WeakPolarHBondContact O-CB 3.39Å; Q1125-Q1129 VanDerWaalsContact O-CG 3.24Å; Q1125-Q1129 WeakPolarHBondContact O-CG 3.2Å; Q1125-Q1129 PolarHBondContact O-N 2.96Å; V1127-Q1129 PolarHBondContact O-N 3.45Å; Q1129-F1131 VanDerWaalsContact C-N 3.32Å
1130Q88.3Confident86.6Confident84 Ų8434.7 Ų34.739%0.39319%0.187SC..THydrogen-bonded Turntrans-79.6-17175.2-61.5178.817.400112.7M1062 V1127 A1128 P1132M1062-Q1130 WeakPolarHBondContact CE-O 3.47Å; V1127-Q1130 WeakPolarHBondContact O-CB 3.3Å; V1127-Q1130 PolarHBondContact O-N 3.12Å; A1128-Q1130 PolarHBondContact O-N 3.27Å; Q1130-P1132 VanDerWaalsContact O-CD 3.3Å; Q1130-P1132 WeakPolarHBondContact O-CD 2.99Å
1131F92.1Very high85.8Confident3 Ų335.8 Ų35.81%0.01319%0.192CC..SBendtrans-119.955.7-177.9-60.7-83000112.1R1074 Y1078 V1127 A1128 Q1129 D1258 W1317R1074-F1131 HydrophobicContact CG-CE1 4.47Å; Y1078-F1131 HydrophobicContact CD1-CD1 4.09Å; Y1078-F1131 HydrophobicContact CD2-CD1 4.44Å; Y1078-F1131 VanDerWaalsContact CE1-C 3.43Å; Y1078-F1131 VanDerWaalsContact CE1-CA 3.47Å; Y1078-F1131 HydrophobicContact CE1-CB 3.8Å; Y1078-F1131 HydrophobicContact CE1-CD1 4.15Å; Y1078-F1131 HydrophobicContact CE1-CG 4.49Å; Y1078-F1131 HydrophobicContact CG-CD1 4.22Å; Y1078-F1131 PolarHBondContact OH-O 3.45Å; V1127-F1131 WeakPolarHBondContact O-CD2 3.44Å; A1128-F1131 CarbonylContact O-C 3.56Å; A1128-F1131 PolarHBondContact O-N 2.9Å; A1128-F1131 VanDerWaalsContact O-N 3.1Å; Q1129-F1131 VanDerWaalsContact C-N 3.32Å; F1131-D1258 HydrophobicContact CD1-CB 4.2Å; F1131-D1258 HydrophobicContact CE1-CB 4.28Å; F1131-D1258 WeakPolarHBondContact CE1-OD2 3.34Å; F1131-W1317 HydrophobicContact CB-CD2 4.01Å; F1131-W1317 HydrophobicContact CB-CG 3.96Å; F1131-W1317 HydrophobicContact CB-CZ2 4.43Å; F1131-W1317 AromaticContact CD1-CD1 3.8Å; F1131-W1317 HydrophobicContact CD2-CB 3.78Å; F1131-W1317 AromaticContact CD2-CD1 3.71Å; F1131-W1317 HydrophobicContact CD2-CD2 4.44Å; F1131-W1317 AromaticContact CD2-CG 3.7Å; F1131-W1317 HydrophobicContact CD2-CG 3.7Å; F1131-W1317 HydrophobicContact CE2-CB 4.06Å; F1131-W1317 HydrophobicContact CE2-CG 4.36Å; F1131-W1317 HydrophobicContact CG-CB 4.4Å; F1131-W1317 AromaticContact CG-CD1 3.41Å; F1131-W1317 VanDerWaalsContact CG-CD1 3.41Å; F1131-W1317 HydrophobicContact CG-CD2 4.4Å; F1131-W1317 AromaticContact CG-CG 3.83Å; F1131-W1317 HydrophobicContact CG-CG 3.83Å; F1131-W1317 AromaticContact CG-NE1 3.82Å
1132P94.8Very high85.3Confident3 Ų333.4 Ų33.42%0.01918%0.176CC..PPolyproline II helixtrans-67154.8-179.331.4-36.3000112.6M1062 Y1078 L1079 Q1082 L1107 A1108 Q1130M1062-P1132 HydrophobicContact CE-CG 4.25Å; M1062-P1132 HydrophobicContact SD-CG 4.18Å; Y1078-P1132 VanDerWaalsContact CE1-O 3.23Å; Y1078-P1132 WeakPolarHBondContact CE1-O 3.31Å; L1079-P1132 HydrophobicContact CD2-CG 3.96Å; Q1082-P1132 PolarHBondContact NE2-O 3.15Å; L1107-P1132 HydrophobicContact CB-CB 4.1Å; L1107-P1132 HydrophobicContact CB-CG 4.42Å; L1107-P1132 HydrophobicContact CD1-CG 4.33Å; L1107-P1132 HydrophobicContact CD2-CB 4.36Å; L1107-P1132 HydrophobicContact CD2-CG 3.94Å; L1107-P1132 HydrophobicContact CG-CG 4.46Å; A1108-P1132 CarbonylContact O-C 3.56Å; A1108-P1132 WeakPolarHBondContact O-CA 3.49Å; A1108-P1132 WeakPolarHBondContact O-CB 3.47Å; Q1130-P1132 VanDerWaalsContact O-CD 3.3Å; Q1130-P1132 WeakPolarHBondContact O-CD 2.99Å
1133Q95.5Very high84.9Confident13 Ų1329.2 Ų29.26%0.06116%0.155CC..EExtended strand (participates in β ladder)trans-68.7135.4158.3-170-176.526.300108.5P1033 L1107 A1108 K1135 L1262 L1266P1033-Q1133 PolarHBondContact O-NE2 2.65Å; L1107-Q1133 WeakPolarHBondContact CA-O 3.2Å; A1108-Q1133 HydrophobicContact CB-CB 4.09Å; A1108-Q1133 PolarHBondContact N-O 3.35Å; A1108-Q1133 PolarHBondContact O-N 3.42Å; Q1133-K1135 VanDerWaalsContact OE1-CE 3.23Å; Q1133-L1262 HydrophobicContact CB-CD1 4.16Å; Q1133-L1262 HydrophobicContact CB-CD2 4.46Å; Q1133-L1262 HydrophobicContact CG-CD2 4.48Å; Q1133-L1266 HydrophobicContact CB-CD1 4.11Å; Q1133-L1266 HydrophobicContact CG-CD1 3.89Å
1134I97.4Very high84.2Confident0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-93.2149.9167.973.489.4000111.2G1034 L1079 Q1082 I1083 V1105 L1106 L1107 L1136G1034-I1134 WeakPolarHBondContact CA-O 3.34Å; L1079-I1134 HydrophobicContact CB-CG2 4.29Å; L1079-I1134 HydrophobicContact CD2-CG2 3.42Å; L1079-I1134 VanDerWaalsContact CD2-CG2 3.42Å; L1079-I1134 HydrophobicContact CG-CG2 4.41Å; Q1082-I1134 HydrophobicContact CB-CD1 4.13Å; Q1082-I1134 HydrophobicContact CB-CG1 3.38Å; Q1082-I1134 HydrophobicContact CG-CG1 4.4Å; I1083-I1134 HydrophobicContact CG1-CD1 3.8Å; I1083-I1134 HydrophobicContact CG1-CG1 4.09Å; V1105-I1134 HydrophobicContact CG1-CB 3.72Å; V1105-I1134 HydrophobicContact CG1-CD1 4.39Å; V1105-I1134 HydrophobicContact CG1-CG1 4.38Å; V1105-I1134 HydrophobicContact CG1-CG2 3.91Å; L1106-I1134 CarbonylContact O-C 3.53Å; L1106-I1134 VanDerWaalsContact O-CA 3.3Å; L1106-I1134 WeakPolarHBondContact O-CA 3.44Å; L1107-I1134 HydrophobicContact CD2-CG2 3.99Å; I1134-L1136 HydrophobicContact CD1-CD2 4.14Å; I1134-L1136 HydrophobicContact CD1-CG 4.32Å
1135K96.8Very high83.3Confident25 Ų2530 Ų3011%0.10915%0.152CC..EExtended strand (participates in β ladder)trans-137122.1169.3-63.1-166.8175.1-172.70110.7P1033 G1034 E1053 L1055 L1106 Q1133P1033-K1135 VanDerWaalsContact O-CE 3.25Å; P1033-K1135 WeakPolarHBondContact O-CE 3.47Å; P1033-K1135 WeakPolarHBondContact O-CG 3.34Å; G1034-K1135 WeakPolarHBondContact O-CA 2.91Å; E1053-K1135 VanDerWaalsContact OE1-CD 3.28Å; E1053-K1135 WeakPolarHBondContact OE1-CD 3.47Å; E1053-K1135 IonicContact OE1-NZ 3.13Å; E1053-K1135 PolarHBondContact OE1-NZ 2.8Å; E1053-K1135 IonicContact OE2-NZ 3.46Å; E1053-K1135 PolarHBondContact OE2-NZ 3.43Å; L1055-K1135 HydrophobicContact CD1-CB 3.87Å; L1055-K1135 HydrophobicContact CD1-CD 4.02Å; L1055-K1135 HydrophobicContact CD1-CG 4.3Å; L1055-K1135 HydrophobicContact CD2-CD 4.33Å; L1106-K1135 PolarHBondContact N-O 3.11Å; L1106-K1135 PolarHBondContact O-N 2.88Å; Q1133-K1135 VanDerWaalsContact OE1-CE 3.23Å
1136L96.2Very high81.9Confident0 Ų027 Ų270%015%0.147CC..EExtended strand (participates in β ladder)trans-69.3140175.3-58.4-176.5000110.8G1034 V1036 I1083 A1086 L1087 L1090 L1100 V1105 I1134 F1139G1034-L1136 PolarHBondContact O-N 3.09Å; V1036-L1136 WeakPolarHBondContact CG1-O 3.39Å; V1036-L1136 PolarHBondContact N-O 2.74Å; I1083-L1136 HydrophobicContact CG1-CD2 4.45Å; A1086-L1136 HydrophobicContact CB-CD1 3.73Å; A1086-L1136 HydrophobicContact CB-CG 4.13Å; L1087-L1136 HydrophobicContact CD2-CD1 4.3Å; L1087-L1136 HydrophobicContact CG-CD1 4.33Å; L1090-L1136 HydrophobicContact CD1-CD1 4.12Å; L1100-L1136 HydrophobicContact CD2-CD1 4.28Å; L1100-L1136 HydrophobicContact CD2-CD2 3.9Å; V1105-L1136 HydrophobicContact CG2-CD2 3.94Å; I1134-L1136 HydrophobicContact CD1-CD2 4.14Å; I1134-L1136 HydrophobicContact CD1-CG 4.32Å; L1136-F1139 HydrophobicContact CB-CZ 4.42Å
1137C91.3Very high80.8Confident14 Ų1428.9 Ų28.910%0.09515%0.151CC..  trans-142.5177.1-177.983.80000113.2V1036 H1097 N1104 L1106V1036-C1137 HydrophobicContact CB-CB 4.25Å; V1036-C1137 HydrophobicContact CG1-CB 3.92Å; H1097-C1137 PolarHBondContact CE1-O 2.97Å; H1097-C1137 PolarHBondContact NE2-O 3.24Å; N1104-C1137 PolarHBondContact O-N 2.78Å; L1106-C1137 HydrophobicContact CD1-CB 3.65Å; L1106-C1137 HydrophobicContact CG-CB 4.01Å; L1106-C1137 VanDerWaalsContact CG-SG 3.57Å
1138D81.2Confident79.4Confident35 Ų3537.3 Ų37.319%0.18719%0.187CC..  trans61.354.5-178.5-157.427.8000115.3K1005 G1140K1005-D1138 IonicContact NZ-OD1 3.19Å; K1005-D1138 PolarHBondContact NZ-OD1 3.5Å; D1138-G1140 PolarHBondContact O-N 2.79Å
1139F80.5Confident77.2Confident0 Ų039.5 Ų39.50%020%0.202CC..G310 helixtrans-67.113.3175-70.1-101.8000114.4E1023 I1026 L1027 L1030 V1035 L1090 H1097 L1136 F1141 A1142E1023-F1139 HydrophobicContact CG-CB 4.17Å; I1026-F1139 HydrophobicContact CG2-CD1 3.85Å; I1026-F1139 HydrophobicContact CG2-CG 4.46Å; L1027-F1139 HydrophobicContact CD2-CB 4.44Å; L1027-F1139 HydrophobicContact CD2-CD2 3.56Å; L1027-F1139 HydrophobicContact CD2-CE2 3.95Å; L1027-F1139 HydrophobicContact CD2-CG 4.02Å; L1027-F1139 HydrophobicContact CG-CB 4.27Å; L1027-F1139 HydrophobicContact CG-CD2 4.28Å; L1027-F1139 HydrophobicContact CG-CG 4.37Å; L1030-F1139 HydrophobicContact CD1-CD1 4.12Å; L1030-F1139 HydrophobicContact CD1-CE1 3.62Å; L1030-F1139 HydrophobicContact CD1-CZ 3.9Å; V1035-F1139 HydrophobicContact CG1-CE2 3.83Å; V1035-F1139 HydrophobicContact CG1-CZ 3.7Å; V1035-F1139 HydrophobicContact CG2-CZ 4.41Å; L1090-F1139 HydrophobicContact CD1-CE1 3.83Å; L1090-F1139 HydrophobicContact CD1-CZ 4.09Å; L1090-F1139 HydrophobicContact CD2-CE1 3.79Å; L1090-F1139 HydrophobicContact CD2-CZ 4.24Å; L1090-F1139 HydrophobicContact CG-CE1 4.5Å; H1097-F1139 AromaticContact CD2-CE1 3.83Å; L1136-F1139 HydrophobicContact CB-CZ 4.42Å; F1139-F1141 PolarHBondContact O-N 2.94Å; F1139-F1141 VanDerWaalsContact O-N 3.15Å; F1139-A1142 HydrophobicContact CB-CB 3.82Å; F1139-A1142 HydrophobicContact CD1-CB 3.54Å; F1139-A1142 HydrophobicContact CG-CB 4.11Å; F1139-A1142 WeakPolarHBondContact O-CB 3.28Å; F1139-A1142 PolarHBondContact O-N 3.48Å
1140G67.6Low75.5Confident1 Ų140.7 Ų40.71%0.0121%0.206CC..G310 helixtrans-62.1-18.9178.100000114.7F987 D1138F987-G1140 WeakPolarHBondContact CZ-O 3.32Å; D1138-G1140 PolarHBondContact O-N 2.79Å
1141F67.9Low73.3Confident27 Ų2743 Ų4312%0.11821%0.211CC..G310 helixtrans-106.7-6.6168.7-68.8-74.7000114F987 H1097 C1098 D1099 F1139 R1143 V1155F987-F1141 HydrophobicContact CE2-CD2 4.05Å; F987-F1141 HydrophobicContact CE2-CE2 4.09Å; F987-F1141 HydrophobicContact CZ-CD1 4.41Å; F987-F1141 HydrophobicContact CZ-CD2 4.01Å; F987-F1141 HydrophobicContact CZ-CE1 4.48Å; F987-F1141 HydrophobicContact CZ-CE2 4.09Å; F987-F1141 HydrophobicContact CZ-CG 4.22Å; F987-F1141 HydrophobicContact CZ-CZ 4.36Å; H1097-F1141 CarbonylContact O-C 3.51Å; C1098-F1141 HydrophobicContact CB-CB 4.03Å; C1098-F1141 VanDerWaalsContact CB-O 3.3Å; C1098-F1141 WeakPolarHBondContact CB-O 3.5Å; C1098-F1141 PolarHBondContact SG-O 3.33Å; D1099-F1141 HydrophobicContact CB-CB 4.19Å; D1099-F1141 HydrophobicContact CB-CD2 3.56Å; D1099-F1141 HydrophobicContact CB-CE2 4.22Å; D1099-F1141 HydrophobicContact CB-CG 4.24Å; F1139-F1141 PolarHBondContact O-N 2.94Å; F1139-F1141 VanDerWaalsContact O-N 3.15Å; F1141-R1143 PolarHBondContact O-NE 2.86Å; F1141-R1143 PolarHBondContact O-NH2 3.3Å; F1141-V1155 HydrophobicContact CD1-CB 3.76Å; F1141-V1155 HydrophobicContact CD1-CG1 3.95Å; F1141-V1155 HydrophobicContact CE1-CB 4.08Å; F1141-V1155 HydrophobicContact CE1-CG1 4.21Å
1142A72.4Confident71.2Confident1 Ų152.2 Ų52.21%0.00825%0.245CC..  trans-65.2155.5-177.700000110.7N1022 I1026 I1095 V1096 H1097 F1139N1022-A1142 PolarHBondContact ND2-O 3.5Å; I1026-A1142 HydrophobicContact CD1-CB 3.87Å; I1095-A1142 HydrophobicContact CG2-CB 4.43Å; V1096-A1142 CarbonylContact O-C 3.41Å; V1096-A1142 WeakPolarHBondContact O-CA 3.44Å; H1097-A1142 WeakPolarHBondContact O-CA 3.49Å; H1097-A1142 PolarHBondContact O-N 3.33Å; F1139-A1142 HydrophobicContact CB-CB 3.82Å; F1139-A1142 HydrophobicContact CD1-CB 3.54Å; F1139-A1142 HydrophobicContact CG-CB 4.11Å; F1139-A1142 WeakPolarHBondContact O-CB 3.28Å; F1139-A1142 PolarHBondContact O-N 3.48Å
1143R75.9Confident69.1Low39 Ų3954 Ų5415%0.14726%0.258CS..EExtended strand (participates in β ladder)trans-158.1156.2178.369.6-156.568.9-147.3-8112I1095 V1096 C1098 F1141 I1145 S1153 Y1171I1095-R1143 WeakPolarHBondContact CA-O 3.47Å; V1096-R1143 PolarHBondContact N-O 2.7Å; V1096-R1143 PolarHBondContact O-N 2.92Å; C1098-R1143 PolarHBondContact SG-NE 3.42Å; F1141-R1143 PolarHBondContact O-NE 2.86Å; F1141-R1143 PolarHBondContact O-NH2 3.3Å; R1143-I1145 HydrophobicContact CG-CD1 3.75Å; R1143-I1145 HydrophobicContact CG-CG1 3.57Å; R1143-S1153 PolarHBondContact NH1-OG 3.07Å; R1143-Y1171 VanDerWaalsContact CZ-OH 3.23Å; R1143-Y1171 PolarHBondContact NE-OH 2.7Å; R1143-Y1171 PolarHBondContact NH1-OH 3.47Å
1144I69.9Low66.8Low94 Ų9459.2 Ų59.248%0.48229%0.286SS..EExtended strand (participates in β ladder)trans-79129.1170.5-56.3173.1000108.4S1094 I1095S1094-I1144 CarbonylContact O-C 3.59Å; S1094-I1144 WeakPolarHBondContact O-CA 3.3Å; I1095-I1144 HydrophobicContact CG1-CG1 3.98Å
1145I64.3Low64.8Low10 Ų1059.9 Ų59.95%0.05129%0.29CS..  trans-139.799.1178.5-50.2-171.8000107.6S1094 V1096 R1143 S1149 Y1171S1094-I1145 WeakPolarHBondContact CB-O 3.39Å; S1094-I1145 PolarHBondContact O-N 2.99Å; V1096-I1145 HydrophobicContact CB-CD1 4.05Å; V1096-I1145 HydrophobicContact CB-CG1 4.42Å; V1096-I1145 HydrophobicContact CG2-CB 4.07Å; V1096-I1145 HydrophobicContact CG2-CD1 3.8Å; V1096-I1145 HydrophobicContact CG2-CG1 3.97Å; R1143-I1145 HydrophobicContact CG-CD1 3.75Å; R1143-I1145 HydrophobicContact CG-CG1 3.57Å; I1145-S1149 WeakPolarHBondContact CG2-O 3.16Å; I1145-S1149 WeakPolarHBondContact CG2-OG 3.39Å; I1145-Y1171 HydrophobicContact CD1-CD2 3.99Å; I1145-Y1171 HydrophobicContact CD1-CE2 3.76Å
1146G53.9Low62.9Low32 Ų3259.5 Ų59.533%0.3329%0.293SS..  trans-60.7154.5174.400000112.5K1148 S1149G1146-K1148 PolarHBondContact O-N 2.93Å; G1146-S1149 PolarHBondContact N-OG 3.48Å; G1146-S1149 WeakPolarHBondContact O-CB 3.46Å; G1146-S1149 PolarHBondContact O-N 3.49Å; G1146-S1149 PolarHBondContact O-OG 2.86Å
1147D58.6Low61.6Low111 Ų11161.5 Ų61.559%0.59431%0.305SS*.THydrogen-bonded Turntrans-50.4-28.3-165.8-79.8-57.4000116.7R1173D1147-R1173 IonicContact OD1-CZ 2.77Å; D1147-R1173 IonicContact OD1-NH1 2.69Å; D1147-R1173 PolarHBondContact OD1-NH1 2.76Å; D1147-R1173 IonicContact OD1-NH2 2.64Å; D1147-R1173 PolarHBondContact OD1-NH2 3.1Å
1148K53.6Low60.6Low194 Ų19464.6 Ų64.684%0.84333%0.325SS*.THydrogen-bonded Turntrans-107.9-1.4-179.2-62.3179.2-175.9171.40113.9G1146 F1150G1146-K1148 PolarHBondContact O-N 2.93Å; K1148-F1150 WeakPolarHBondContact O-CD2 3.37Å
1149S37.2Very low60.4Low46 Ų4663.3 Ų63.332%0.32232%0.32SS..  trans-87.2150.6-177.572.50000111.6I1145 G1146I1145-S1149 WeakPolarHBondContact CG2-O 3.16Å; I1145-S1149 WeakPolarHBondContact CG2-OG 3.39Å; G1146-S1149 PolarHBondContact N-OG 3.48Å; G1146-S1149 WeakPolarHBondContact O-CB 3.46Å; G1146-S1149 PolarHBondContact O-N 3.49Å; G1146-S1149 PolarHBondContact O-OG 2.86Å
1150F49.6Very low60.7Low123 Ų12363.6 Ų63.654%0.53932%0.321SS..  trans-141.2124.1-170.6-77.1-65.8000110.3K1148 G1170K1148-F1150 WeakPolarHBondContact O-CD2 3.37Å; F1150-G1170 WeakPolarHBondContact CD1-O 3.47Å
1151R42.3Very low61.6Low133 Ų13364.1 Ų64.150%0.50232%0.323SS..BIsolated β-bridgetrans-109.5151.2-177.5-70.3-70.9-168.2168.90.5113.2G1170 Y1171R1151-G1170 CarbonylContact O-C 3.43Å; R1151-G1170 VanDerWaalsContact O-CA 3.23Å; R1151-G1170 WeakPolarHBondContact O-CA 3.18Å; R1151-Y1171 HydrophobicContact CB-CE1 4.08Å; R1151-Y1171 HydrophobicContact CB-CE2 4.19Å; R1151-Y1171 PolarHBondContact N-O 3.27Å; R1151-Y1171 WeakPolarHBondContact O-CD1 3.33Å; R1151-Y1171 WeakPolarHBondContact O-CE1 3.42Å; R1151-Y1171 PolarHBondContact O-N 3.13Å
1152R48.1Very low62.5Low195 Ų19562.9 Ų62.974%0.73632%0.318SS*.  trans-123.860.7-174.7-62.1-170.9-164.3171.94112N1168R1152-N1168 WeakPolarHBondContact CA-OD1 3.28Å; R1152-N1168 VanDerWaalsContact CB-OD1 3.29Å; R1152-N1168 WeakPolarHBondContact CB-OD1 3.48Å; R1152-N1168 PolarHBondContact O-OD1 3.05Å; R1152-N1168 VanDerWaalsContact O-OD1 3.11Å
1153S50.8Low63.2Low42 Ų4262.9 Ų62.929%0.29432%0.318SS..  trans-135.3129.3179.853.70000111.8R1143 V1155 Y1171R1143-S1153 PolarHBondContact NH1-OG 3.07Å; S1153-V1155 PolarHBondContact O-N 3.02Å; S1153-Y1171 VanDerWaalsContact O-CE1 3.25Å; S1153-Y1171 WeakPolarHBondContact O-CE1 3.26Å; S1153-Y1171 PolarHBondContact OG-OH 2.99Å
1154L48.5Very low63.5Low122 Ų12261.6 Ų61.664%0.63931%0.314SS*.  trans-73.7114.4178.2-164.784.4000109.8V1165 L1166L1154-V1165 HydrophobicContact CD1-CG1 4.2Å; L1154-L1166 HydrophobicContact CD1-CD2 4.31Å
1155V53.8Low64Low13 Ų1357.3 Ų57.38%0.07929%0.292CS..  trans-149.1148.5-174.6-670000110.4C1098 F1141 S1153 L1161C1098-V1155 HydrophobicContact CB-CG2 4.14Å; F1141-V1155 HydrophobicContact CD1-CB 3.76Å; F1141-V1155 HydrophobicContact CD1-CG1 3.95Å; F1141-V1155 HydrophobicContact CE1-CB 4.08Å; F1141-V1155 HydrophobicContact CE1-CG1 4.21Å; S1153-V1155 PolarHBondContact O-N 3.02Å; V1155-L1161 WeakPolarHBondContact O-CD2 3.36Å
1156G57.1Low64.4Low18 Ų1859 Ų5919%0.18630%0.3CS..SBendtrans102.1171.6-178.500000114.4C1098 D1099C1098-G1156 WeakPolarHBondContact O-CA 2.97Å; D1099-G1156 WeakPolarHBondContact OD1-CA 3.34Å
1157T68.7Low65.3Low41 Ų4160.6 Ų60.625%0.25230%0.298SS..  trans-81.7126.7-178.2-570000110.9D1099 K1101 A1159 Y1160 L1161D1099-T1157 WeakPolarHBondContact OD1-CB 3.45Å; D1099-T1157 PolarHBondContact OD1-N 3.4Å; D1099-T1157 PolarHBondContact OD1-OG1 3.04Å; K1101-T1157 HydrophobicContact CD-CG2 4.33Å; K1101-T1157 PolarHBondContact NZ-OG1 3.45Å; T1157-A1159 PolarHBondContact O-N 3.39Å; T1157-A1159 VanDerWaalsContact O-N 3.11Å; T1157-Y1160 HydrophobicContact CG2-CD2 4.09Å; T1157-Y1160 PolarHBondContact O-N 2.99Å; T1157-L1161 PolarHBondContact O-N 3.47Å
1158P70.9Confident65.6Low79 Ų7959.3 Ų59.351%0.51329%0.292SS..G310 helixtrans-45.8-47.6-167.4-34.637.1000117.1Y1160 L1161P1158-Y1160 PolarHBondContact O-N 2.84Å; P1158-L1161 WeakPolarHBondContact O-CB 3.33Å; P1158-L1161 PolarHBondContact O-N 3.4Å
1159A77.4Confident65.8Low8 Ų858.4 Ų58.47%0.06628%0.283CS..G310 helixtrans-66.6-16.4-178.900000114.7T1157 F1192 I1200T1157-A1159 PolarHBondContact O-N 3.39Å; T1157-A1159 VanDerWaalsContact O-N 3.11Å; A1159-F1192 HydrophobicContact CB-CD1 3.82Å; A1159-F1192 HydrophobicContact CB-CE1 3.76Å; A1159-I1200 HydrophobicContact CB-CD1 4.15Å
1160Y87.2Confident66.7Low6 Ų657.1 Ų57.12%0.02428%0.277CS..G310 helixtrans-106.81.9179.7-62.3-87.9000113K1101 P1102 T1157 P1158 S1179 V1182 I1183 F1192K1101-Y1160 HydrophobicContact CB-CD1 4.03Å; K1101-Y1160 HydrophobicContact CB-CD2 3.71Å; K1101-Y1160 HydrophobicContact CB-CE1 3.95Å; K1101-Y1160 HydrophobicContact CB-CE2 3.59Å; K1101-Y1160 HydrophobicContact CB-CG 3.94Å; P1102-Y1160 VanDerWaalsContact CD-CZ 3.47Å; P1102-Y1160 WeakPolarHBondContact CD-OH 3.43Å; T1157-Y1160 HydrophobicContact CG2-CD2 4.09Å; T1157-Y1160 PolarHBondContact O-N 2.99Å; P1158-Y1160 PolarHBondContact O-N 2.84Å; Y1160-S1179 PolarHBondContact O-OG 3.11Å; Y1160-V1182 HydrophobicContact CD1-CB 3.74Å; Y1160-V1182 HydrophobicContact CD1-CG1 3.54Å; Y1160-V1182 HydrophobicContact CE1-CB 4.03Å; Y1160-V1182 HydrophobicContact CE1-CG1 3.49Å; Y1160-V1182 VanDerWaalsContact CE1-CG1 3.49Å; Y1160-V1182 HydrophobicContact CG-CG1 4.34Å; Y1160-I1183 HydrophobicContact CD1-CG1 4.45Å; Y1160-I1183 HydrophobicContact CE1-CG1 4.11Å; Y1160-F1192 AromaticContact CE2-CE1 3.76Å; Y1160-F1192 HydrophobicContact CE2-CE1 3.76Å; Y1160-F1192 HydrophobicContact CE2-CZ 4.31Å; Y1160-F1192 AromaticContact CZ-CE1 3.66Å; Y1160-F1192 WeakPolarHBondContact OH-CE1 3.37Å
1161L85.6Confident67.4Low13 Ų1351.4 Ų51.47%0.06825%0.252CS..  trans-72.2133.9-178.1-66.1-175.3000112.1V1155 T1157 P1158 V1165 L1166 W1178 I1204V1155-L1161 WeakPolarHBondContact O-CD2 3.36Å; T1157-L1161 PolarHBondContact O-N 3.47Å; P1158-L1161 WeakPolarHBondContact O-CB 3.33Å; P1158-L1161 PolarHBondContact O-N 3.4Å; L1161-V1165 HydrophobicContact CD2-CG1 4.39Å; L1161-L1166 HydrophobicContact CB-CD2 4.23Å; L1161-L1166 HydrophobicContact CB-CG 4.45Å; L1161-L1166 HydrophobicContact CD1-CD2 3.66Å; L1161-W1178 PolarHBondContact O-NE1 3.13Å; L1161-I1204 WeakPolarHBondContact O-CG2 3.08Å
1162A87.3Confident69Low1 Ų146.8 Ų46.81%0.00824%0.238CC..  trans-75.7147.817100000111.5E1164 V1165 L1166 I1175 W1178A1162-E1164 VanDerWaalsContact C-N 3.26Å; A1162-E1164 HydrophobicContact CB-CG 4.4Å; A1162-E1164 PolarHBondContact O-N 2.79Å; A1162-V1165 HydrophobicContact CB-CG2 4.34Å; A1162-V1165 WeakPolarHBondContact O-CB 3.45Å; A1162-V1165 PolarHBondContact O-N 3.47Å; A1162-L1166 PolarHBondContact O-N 2.89Å; A1162-I1175 HydrophobicContact CB-CB 4.01Å; A1162-I1175 HydrophobicContact CB-CG2 3.88Å; A1162-W1178 HydrophobicContact CB-CB 3.76Å; A1162-W1178 HydrophobicContact CB-CD2 4.33Å; A1162-W1178 HydrophobicContact CB-CG 3.79Å
1163P85.9Confident70.8Confident1 Ų142.2 Ų42.21%0.00622%0.22CC..Hα-helixtrans-62.4-26.9-174.520.4-31.1000114.6V1165 L1166 K1167 W1178 I1204 V1233P1163-V1165 VanDerWaalsContact C-N 3.32Å; P1163-L1166 PolarHBondContact O-N 3.42Å; P1163-K1167 WeakPolarHBondContact O-CB 3.4Å; P1163-K1167 VanDerWaalsContact O-CG 3.32Å; P1163-K1167 WeakPolarHBondContact O-CG 3.34Å; P1163-K1167 PolarHBondContact O-N 3.4Å; P1163-W1178 HydrophobicContact CG-CE3 4.25Å; P1163-W1178 HydrophobicContact CG-CH2 4.11Å; P1163-W1178 HydrophobicContact CG-CZ3 3.88Å; P1163-I1204 HydrophobicContact CB-CG2 3.9Å; P1163-I1204 HydrophobicContact CG-CG2 4.4Å; P1163-V1233 HydrophobicContact CB-CG1 4.1Å; P1163-V1233 HydrophobicContact CG-CB 4.22Å; P1163-V1233 HydrophobicContact CG-CG1 3.9Å; P1163-V1233 HydrophobicContact CG-CG2 4.37Å
1164E83.4Confident72.5Confident12 Ų1240.8 Ų40.86%0.05621%0.212CC..Hα-helixtrans-66.4-32.3173.660.2-88.8-15400113.1A1162 N1168 R1169 I1175 L1235 R1238A1162-E1164 VanDerWaalsContact C-N 3.26Å; A1162-E1164 HydrophobicContact CB-CG 4.4Å; A1162-E1164 PolarHBondContact O-N 2.79Å; E1164-N1168 PolarHBondContact O-N 3.03Å; E1164-R1169 PolarHBondContact O-N 3.47Å; E1164-I1175 HydrophobicContact CG-CG2 4.05Å; E1164-I1175 WeakPolarHBondContact OE1-CG2 3.43Å; E1164-L1235 WeakPolarHBondContact OE1-CD2 3.41Å; E1164-R1238 IonicContact OE1-CZ 2.78Å; E1164-R1238 IonicContact OE1-NH1 3.94Å; E1164-R1238 PolarHBondContact OE1-NH1 2.85Å; E1164-R1238 IonicContact OE1-NH2 3.94Å; E1164-R1238 PolarHBondContact OE1-NH2 2.85Å; E1164-R1238 IonicContact OE2-CZ 2.74Å; E1164-R1238 IonicContact OE2-NH1 2.76Å; E1164-R1238 IonicContact OE2-NH2 3.77Å; E1164-R1238 PolarHBondContact OE2-NH2 3.01Å
1165V79.4Confident74.5Confident4 Ų435.3 Ų35.32%0.02418%0.183CC..Hα-helixtrans-67.8-44.5176.6-176.10000109.9L1154 L1161 A1162 P1163 N1168 Y1171 I1175L1154-V1165 HydrophobicContact CD1-CG1 4.2Å; L1161-V1165 HydrophobicContact CD2-CG1 4.39Å; A1162-V1165 HydrophobicContact CB-CG2 4.34Å; A1162-V1165 WeakPolarHBondContact O-CB 3.45Å; A1162-V1165 PolarHBondContact O-N 3.47Å; P1163-V1165 VanDerWaalsContact C-N 3.32Å; V1165-N1168 PolarHBondContact O-N 3.38Å; V1165-Y1171 HydrophobicContact CG2-CD1 4.12Å; V1165-Y1171 HydrophobicContact CG2-CG 4.27Å; V1165-I1175 HydrophobicContact CG2-CB 4.43Å; V1165-I1175 HydrophobicContact CG2-CG2 3.7Å
1166L74.1Confident76.4Confident44 Ų4434.7 Ų34.723%0.2318%0.18CC..Hα-helixtrans-62.3-46.5175.2-60.7-178.9000112.1L1154 L1161 A1162 P1163 N1168 A1201 I1204L1154-L1166 HydrophobicContact CD1-CD2 4.31Å; L1161-L1166 HydrophobicContact CB-CD2 4.23Å; L1161-L1166 HydrophobicContact CB-CG 4.45Å; L1161-L1166 HydrophobicContact CD1-CD2 3.66Å; A1162-L1166 PolarHBondContact O-N 2.89Å; P1163-L1166 PolarHBondContact O-N 3.42Å; L1166-N1168 PolarHBondContact O-N 2.86Å; L1166-A1201 HydrophobicContact CD1-CB 3.98Å; L1166-I1204 HydrophobicContact CD1-CB 3.81Å; L1166-I1204 HydrophobicContact CD1-CD1 4.2Å; L1166-I1204 HydrophobicContact CD1-CG2 3.49Å; L1166-I1204 VanDerWaalsContact CD1-CG2 3.49Å; L1166-I1204 HydrophobicContact CG-CG2 4.49Å
1167K71Confident78.4Confident66 Ų6634 Ų3429%0.28717%0.172SC..THydrogen-bonded Turntrans-68.8-1.5178.4-72.1173.3175159.70113.8P1163 R1169 E1205P1163-K1167 WeakPolarHBondContact O-CB 3.4Å; P1163-K1167 VanDerWaalsContact O-CG 3.32Å; P1163-K1167 WeakPolarHBondContact O-CG 3.34Å; P1163-K1167 PolarHBondContact O-N 3.4Å; K1167-R1169 HydrophobicContact CB-CB 4.36Å; K1167-R1169 HydrophobicContact CB-CG 3.84Å; K1167-R1169 PolarHBondContact O-N 2.9Å; K1167-E1205 HydrophobicContact CD-CG 4.41Å; K1167-E1205 WeakPolarHBondContact CE-OE1 3.27Å; K1167-E1205 WeakPolarHBondContact CE-OE2 3.11Å; K1167-E1205 HydrophobicContact CG-CG 4.26Å; K1167-E1205 VanDerWaalsContact CG-OE1 3.26Å; K1167-E1205 WeakPolarHBondContact CG-OE1 3.41Å; K1167-E1205 PolarHBondContact NZ-O 3.4Å; K1167-E1205 IonicContact NZ-OE2 2.7Å; K1167-E1205 PolarHBondContact NZ-OE2 3.01Å
1168N64.9Low79.6Confident84 Ų8432 Ų3245%0.44916%0.16SC..THydrogen-bonded Turntrans47.729.1-169.7-157.322.7000113.4R1152 E1164 V1165 L1166R1152-N1168 WeakPolarHBondContact CA-OD1 3.28Å; R1152-N1168 VanDerWaalsContact CB-OD1 3.29Å; R1152-N1168 WeakPolarHBondContact CB-OD1 3.48Å; R1152-N1168 PolarHBondContact O-OD1 3.05Å; R1152-N1168 VanDerWaalsContact O-OD1 3.11Å; E1164-N1168 PolarHBondContact O-N 3.03Å; V1165-N1168 PolarHBondContact O-N 3.38Å; L1166-N1168 PolarHBondContact O-N 2.86Å
1169R57.9Low80.9Confident175 Ų17528.6 Ų28.666%0.6614%0.138SC*.  trans-88.1126.4175.8-70.7177.7-171.7-145.72.6106.5E1164 K1167 Y1171E1164-R1169 PolarHBondContact O-N 3.47Å; K1167-R1169 HydrophobicContact CB-CB 4.36Å; K1167-R1169 HydrophobicContact CB-CG 3.84Å; K1167-R1169 PolarHBondContact O-N 2.9Å; R1169-Y1171 PolarHBondContact O-N 3.14Å; R1169-Y1171 VanDerWaalsContact O-N 3.1Å
1170G56.1Low81.9Confident20 Ų2028.3 Ų28.321%0.20614%0.135CC..  trans-24109.8173.800000114.7F1150 R1151F1150-G1170 WeakPolarHBondContact CD1-O 3.47Å; R1151-G1170 CarbonylContact O-C 3.43Å; R1151-G1170 VanDerWaalsContact O-CA 3.23Å; R1151-G1170 WeakPolarHBondContact O-CA 3.18Å
1171Y64.9Low82.4Confident2 Ų228 Ų281%0.00813%0.134CC..BIsolated β-bridgetrans-101.5162.2179.166.3-100.7000112.7R1143 I1145 R1151 S1153 V1165 R1169 I1175R1143-Y1171 VanDerWaalsContact CZ-OH 3.23Å; R1143-Y1171 PolarHBondContact NE-OH 2.7Å; R1143-Y1171 PolarHBondContact NH1-OH 3.47Å; I1145-Y1171 HydrophobicContact CD1-CD2 3.99Å; I1145-Y1171 HydrophobicContact CD1-CE2 3.76Å; R1151-Y1171 HydrophobicContact CB-CE1 4.08Å; R1151-Y1171 HydrophobicContact CB-CE2 4.19Å; R1151-Y1171 PolarHBondContact N-O 3.27Å; R1151-Y1171 WeakPolarHBondContact O-CD1 3.33Å; R1151-Y1171 WeakPolarHBondContact O-CE1 3.42Å; R1151-Y1171 PolarHBondContact O-N 3.13Å; S1153-Y1171 VanDerWaalsContact O-CE1 3.25Å; S1153-Y1171 WeakPolarHBondContact O-CE1 3.26Å; S1153-Y1171 PolarHBondContact OG-OH 2.99Å; V1165-Y1171 HydrophobicContact CG2-CD1 4.12Å; V1165-Y1171 HydrophobicContact CG2-CG 4.27Å; R1169-Y1171 PolarHBondContact O-N 3.14Å; R1169-Y1171 VanDerWaalsContact O-N 3.1Å; Y1171-I1175 HydrophobicContact CD2-CD1 3.72Å; Y1171-I1175 HydrophobicContact CD2-CG2 4.22Å; Y1171-I1175 HydrophobicContact CE2-CD1 3.9Å; Y1171-I1175 HydrophobicContact CG-CD1 4.46Å; Y1171-I1175 HydrophobicContact CG-CG2 4.15Å
1172N76.3Confident82.9Confident37 Ų3727.4 Ų27.420%0.19813%0.131CC..  trans-140.6-164.9-179.167.512.3000110.5G1174 I1175N1172-G1174 PolarHBondContact O-N 3.37Å; N1172-G1174 PolarHBondContact OD1-N 3.29Å; N1172-I1175 PolarHBondContact O-N 2.97Å
1173R85Confident83.4Confident99 Ų9927.5 Ų27.537%0.37413%0.131SC..THydrogen-bonded Turntrans-54.9-15.817868.1170.3166-113.8-9.3116.1H1091 V1096 D1147 I1175 D1176H1091-R1173 PolarHBondContact CE1-O 2.81Å; H1091-R1173 VanDerWaalsContact CE1-O 3.25Å; V1096-R1173 HydrophobicContact CG2-CB 3.79Å; D1147-R1173 IonicContact OD1-CZ 2.77Å; D1147-R1173 IonicContact OD1-NH1 2.69Å; D1147-R1173 PolarHBondContact OD1-NH1 2.76Å; D1147-R1173 IonicContact OD1-NH2 2.64Å; D1147-R1173 PolarHBondContact OD1-NH2 3.1Å; R1173-I1175 PolarHBondContact O-N 3.05Å; R1173-D1176 PolarHBondContact O-N 2.87Å
1174G87.5Confident84Confident12 Ų1227.7 Ų27.712%0.12413%0.132CC..Hα-helixtrans-64.3-19.9177.400000114.8N1172 M1177 W1178 R1238N1172-G1174 PolarHBondContact O-N 3.37Å; N1172-G1174 PolarHBondContact OD1-N 3.29Å; G1174-M1177 WeakPolarHBondContact O-CB 3.21Å; G1174-M1177 PolarHBondContact O-N 2.8Å; G1174-W1178 PolarHBondContact O-N 3.25Å; G1174-R1238 VanDerWaalsContact C-NH1 3.3Å; G1174-R1238 WeakPolarHBondContact O-CD 2.97Å; G1174-R1238 PolarHBondContact O-NH1 2.73Å
1175I90.3Very high84.7Confident6 Ų627.4 Ų27.43%0.03113%0.13CC..Hα-helixtrans-65.1-39.8179.267177.4000111.8V1096 C1098 A1162 E1164 V1165 Y1171 N1172 R1173 M1177 W1178 S1179V1096-I1175 HydrophobicContact CG1-CD1 3.88Å; V1096-I1175 HydrophobicContact CG1-CG1 3.69Å; C1098-I1175 HydrophobicContact CB-CD1 4.06Å; A1162-I1175 HydrophobicContact CB-CB 4.01Å; A1162-I1175 HydrophobicContact CB-CG2 3.88Å; E1164-I1175 HydrophobicContact CG-CG2 4.05Å; E1164-I1175 WeakPolarHBondContact OE1-CG2 3.43Å; V1165-I1175 HydrophobicContact CG2-CB 4.43Å; V1165-I1175 HydrophobicContact CG2-CG2 3.7Å; Y1171-I1175 HydrophobicContact CD2-CD1 3.72Å; Y1171-I1175 HydrophobicContact CD2-CG2 4.22Å; Y1171-I1175 HydrophobicContact CE2-CD1 3.9Å; Y1171-I1175 HydrophobicContact CG-CD1 4.46Å; Y1171-I1175 HydrophobicContact CG-CG2 4.15Å; N1172-I1175 PolarHBondContact O-N 2.97Å; R1173-I1175 PolarHBondContact O-N 3.05Å; I1175-M1177 PolarHBondContact O-N 3.24Å; I1175-W1178 WeakPolarHBondContact O-CB 3.12Å; I1175-W1178 PolarHBondContact O-N 3.46Å; I1175-W1178 VanDerWaalsContact O-N 3.07Å; I1175-S1179 PolarHBondContact O-N 2.71Å; I1175-S1179 VanDerWaalsContact O-N 3.12Å; I1175-S1179 PolarHBondContact O-OG 2.99Å
1176D94.6Very high85.4Confident0 Ų027.5 Ų27.50%013%0.131CC..Hα-helixtrans-62.4-36.1178.4-67.9-15.7000110.3L1087 H1091 V1096 H1097 C1098 L1100 R1173 W1178 S1179 V1180L1087-D1176 HydrophobicContact CD1-CB 4.47Å; L1087-D1176 HydrophobicContact CD2-CB 4.02Å; H1091-D1176 IonicContact CD2-OD2 2.98Å; H1091-D1176 IonicContact CE1-OD2 3.1Å; H1091-D1176 IonicContact NE2-OD2 3.91Å; H1091-D1176 PolarHBondContact NE2-OD2 3.32Å; V1096-D1176 WeakPolarHBondContact CG1-OD2 3.39Å; H1097-D1176 PolarHBondContact N-OD1 2.9Å; H1097-D1176 PolarHBondContact N-OD2 3.38Å; C1098-D1176 PolarHBondContact N-OD1 3.35Å; L1100-D1176 HydrophobicContact CD1-CB 3.69Å; R1173-D1176 PolarHBondContact O-N 2.87Å; D1176-W1178 VanDerWaalsContact C-N 3.34Å; D1176-W1178 PolarHBondContact O-N 3.07Å; D1176-S1179 PolarHBondContact O-N 2.96Å; D1176-V1180 WeakPolarHBondContact O-CG2 3.47Å; D1176-V1180 PolarHBondContact O-N 3.17Å
1177M97Very high86.5Confident4 Ų425.4 Ų25.42%0.0212%0.12CC..Hα-helixtrans-67.2-32.4177-57.1-54.2-54.900112.8L1084 G1174 I1175 G1181 L1230 R1238 F1239 V1241 S1244L1084-M1177 HydrophobicContact CD2-CE 3.65Å; L1084-M1177 HydrophobicContact CD2-SD 4.38Å; G1174-M1177 WeakPolarHBondContact O-CB 3.21Å; G1174-M1177 PolarHBondContact O-N 2.8Å; I1175-M1177 PolarHBondContact O-N 3.24Å; M1177-G1181 PolarHBondContact O-N 3.43Å; M1177-G1181 VanDerWaalsContact O-N 3.15Å; M1177-L1230 HydrophobicContact CB-CD2 4.19Å; M1177-L1230 HydrophobicContact CE-CD2 3.58Å; M1177-L1230 WeakPolarHBondContact O-CD2 3.04Å; M1177-R1238 HydrophobicContact CB-CG 4.42Å; M1177-F1239 WeakPolarHBondContact CG-O 3.36Å; M1177-V1241 HydrophobicContact CE-CG2 4.36Å; M1177-V1241 HydrophobicContact SD-CB 4.34Å; M1177-V1241 HydrophobicContact SD-CG2 3.44Å; M1177-V1241 WeakPolarHBondContact SD-CG2 3.41Å; M1177-S1244 WeakPolarHBondContact CE-OG 3.42Å
1178W95.9Very high87.7Confident0 Ų022.4 Ų22.40%011%0.107CC..Hα-helixtrans-65.7-47.9171174.7-82.4000110.3L1161 A1162 P1163 G1174 I1175 D1176 V1180 G1181 V1182 F1194 I1204 A1207 L1231L1161-W1178 PolarHBondContact O-NE1 3.13Å; A1162-W1178 HydrophobicContact CB-CB 3.76Å; A1162-W1178 HydrophobicContact CB-CD2 4.33Å; A1162-W1178 HydrophobicContact CB-CG 3.79Å; P1163-W1178 HydrophobicContact CG-CE3 4.25Å; P1163-W1178 HydrophobicContact CG-CH2 4.11Å; P1163-W1178 HydrophobicContact CG-CZ3 3.88Å; G1174-W1178 PolarHBondContact O-N 3.25Å; I1175-W1178 WeakPolarHBondContact O-CB 3.12Å; I1175-W1178 PolarHBondContact O-N 3.46Å; I1175-W1178 VanDerWaalsContact O-N 3.07Å; D1176-W1178 VanDerWaalsContact C-N 3.34Å; D1176-W1178 PolarHBondContact O-N 3.07Å; W1178-V1180 VanDerWaalsContact C-N 3.29Å; W1178-V1180 PolarHBondContact O-N 2.98Å; W1178-G1181 WeakPolarHBondContact O-CA 3.43Å; W1178-G1181 PolarHBondContact O-N 3.38Å; W1178-V1182 PolarHBondContact O-N 3.08Å; W1178-F1194 AromaticContact CH2-CZ 3.98Å; W1178-F1194 HydrophobicContact CH2-CZ 3.98Å; W1178-F1194 HydrophobicContact CZ2-CE1 4.46Å; W1178-F1194 AromaticContact CZ2-CE2 3.71Å; W1178-F1194 HydrophobicContact CZ2-CE2 3.71Å; W1178-F1194 AromaticContact CZ2-CZ 3.43Å; W1178-F1194 HydrophobicContact CZ2-CZ 3.43Å; W1178-F1194 VanDerWaalsContact CZ2-CZ 3.43Å; W1178-I1204 HydrophobicContact CH2-CG2 4.29Å; W1178-I1204 HydrophobicContact CZ2-CB 4.29Å; W1178-I1204 HydrophobicContact CZ2-CG1 4.25Å; W1178-I1204 HydrophobicContact CZ2-CG2 3.72Å; W1178-A1207 HydrophobicContact CH2-CB 4.28Å; W1178-L1231 HydrophobicContact CD2-CD2 3.88Å; W1178-L1231 HydrophobicContact CE3-CB 4.49Å; W1178-L1231 HydrophobicContact CE3-CD2 4.18Å; W1178-L1231 HydrophobicContact CG-CD2 4.28Å; W1178-L1231 HydrophobicContact CZ2-CD2 4.28Å; W1178-L1231 VanDerWaalsContact CZ3-C 3.41Å; W1178-L1231 HydrophobicContact CZ3-CB 4.27Å; W1178-L1231 WeakPolarHBondContact CZ3-O 3.33Å
1179S96.6Very high89Confident7 Ų718.8 Ų18.85%0.0499%0.088CC..Hα-helixtrans-60.8-36.1177.6-50.40000112.3L1100 Y1160 I1175 D1176 G1181 V1182 I1183L1100-S1179 WeakPolarHBondContact O-CB 3.5Å; Y1160-S1179 PolarHBondContact O-OG 3.11Å; I1175-S1179 PolarHBondContact O-N 2.71Å; I1175-S1179 VanDerWaalsContact O-N 3.12Å; I1175-S1179 PolarHBondContact O-OG 2.99Å; D1176-S1179 PolarHBondContact O-N 2.96Å; S1179-G1181 VanDerWaalsContact C-N 3.34Å; S1179-G1181 PolarHBondContact O-N 3.17Å; S1179-V1182 PolarHBondContact O-N 3.38Å; S1179-I1183 VanDerWaalsContact O-CG1 3.29Å; S1179-I1183 WeakPolarHBondContact O-CG1 3.47Å; S1179-I1183 PolarHBondContact O-N 2.92Å
1180V98.5Very high90.4Very high2 Ų212.1 Ų12.11%0.0127%0.074CC..Hα-helixtrans-60.8-40.5169.6172.60000111.7I1083 L1084 L1087 L1100 D1176 W1178 V1182 I1183 L1184 L1230I1083-V1180 HydrophobicContact CG2-CG2 4.02Å; L1084-V1180 HydrophobicContact CD2-CG1 4.34Å; L1087-V1180 HydrophobicContact CD1-CG2 3.55Å; L1100-V1180 HydrophobicContact CD1-CG2 4.03Å; D1176-V1180 WeakPolarHBondContact O-CG2 3.47Å; D1176-V1180 PolarHBondContact O-N 3.17Å; W1178-V1180 VanDerWaalsContact C-N 3.29Å; W1178-V1180 PolarHBondContact O-N 2.98Å; V1180-V1182 VanDerWaalsContact C-N 3.33Å; V1180-V1182 PolarHBondContact O-N 3.31Å; V1180-I1183 PolarHBondContact O-N 3.01Å; V1180-L1184 HydrophobicContact CG1-CD1 4.35Å; V1180-L1184 HydrophobicContact CG1-CG 4.42Å; V1180-L1184 WeakPolarHBondContact O-CG 3.28Å; V1180-L1184 PolarHBondContact O-N 3.41Å; V1180-L1230 HydrophobicContact CG1-CD1 4.15Å
1181G98Very high91.7Very high0 Ų014.4 Ų14.40%08%0.084CC..Hα-helixtrans-58.9-42173.200000112.9M1177 W1178 S1179 Y1185M1177-G1181 PolarHBondContact O-N 3.43Å; M1177-G1181 VanDerWaalsContact O-N 3.15Å; W1178-G1181 WeakPolarHBondContact O-CA 3.43Å; W1178-G1181 PolarHBondContact O-N 3.38Å; S1179-G1181 VanDerWaalsContact C-N 3.34Å; S1179-G1181 PolarHBondContact O-N 3.17Å; G1181-Y1185 PolarHBondContact O-N 2.82Å; G1181-Y1185 VanDerWaalsContact O-N 3.09Å
1182V96.3Very high92.8Very high0 Ų018.2 Ų18.20%010%0.101CC..Hα-helixtrans-67.9-43.4175-175.60000111.3Y1160 W1178 S1179 V1180 L1184 Y1185 V1186 P1193 F1194 L1231Y1160-V1182 HydrophobicContact CD1-CB 3.74Å; Y1160-V1182 HydrophobicContact CD1-CG1 3.54Å; Y1160-V1182 HydrophobicContact CE1-CB 4.03Å; Y1160-V1182 HydrophobicContact CE1-CG1 3.49Å; Y1160-V1182 VanDerWaalsContact CE1-CG1 3.49Å; Y1160-V1182 HydrophobicContact CG-CG1 4.34Å; W1178-V1182 PolarHBondContact O-N 3.08Å; S1179-V1182 PolarHBondContact O-N 3.38Å; V1180-V1182 VanDerWaalsContact C-N 3.33Å; V1180-V1182 PolarHBondContact O-N 3.31Å; V1182-L1184 VanDerWaalsContact C-N 3.35Å; V1182-L1184 PolarHBondContact O-N 3.34Å; V1182-Y1185 PolarHBondContact O-N 3.12Å; V1182-V1186 HydrophobicContact CG1-CG2 4.2Å; V1182-V1186 WeakPolarHBondContact O-CG2 3.4Å; V1182-V1186 PolarHBondContact O-N 3.22Å; V1182-P1193 HydrophobicContact CG1-CG 4.08Å; V1182-P1193 HydrophobicContact CG2-CG 4.42Å; V1182-F1194 HydrophobicContact CG2-CE2 4.25Å; V1182-L1231 HydrophobicContact CG2-CD2 3.79Å
1183I97.9Very high93.1Very high3 Ų317 Ų172%0.01510%0.095CC..Hα-helixtrans-57.3-46.9175.7-71.3163.6000110.7M1059 I1083 L1100 P1102 Y1160 S1179 V1180 V1186 S1187M1059-I1183 HydrophobicContact CE-CG2 3.99Å; M1059-I1183 HydrophobicContact SD-CG2 3.95Å; I1083-I1183 HydrophobicContact CD1-CG2 4.39Å; L1100-I1183 HydrophobicContact CB-CD1 4.18Å; P1102-I1183 HydrophobicContact CG-CG1 4.2Å; Y1160-I1183 HydrophobicContact CD1-CG1 4.45Å; Y1160-I1183 HydrophobicContact CE1-CG1 4.11Å; S1179-I1183 VanDerWaalsContact O-CG1 3.29Å; S1179-I1183 WeakPolarHBondContact O-CG1 3.47Å; S1179-I1183 PolarHBondContact O-N 2.92Å; V1180-I1183 PolarHBondContact O-N 3.01Å; I1183-V1186 PolarHBondContact O-N 2.78Å; I1183-S1187 VanDerWaalsContact O-CB 3.26Å; I1183-S1187 WeakPolarHBondContact O-CB 3.2Å; I1183-S1187 PolarHBondContact O-N 3.36Å; I1183-S1187 PolarHBondContact O-OG 2.84Å
1184L98.5Very high93Very high4 Ų412.6 Ų12.62%0.0218%0.078CC..Hα-helixtrans-61.2-45177.2-73.6178.1000111.9T1076 A1080 V1180 V1182 S1187 L1188 L1226 I1227 L1230 W1249T1076-L1184 HydrophobicContact CG2-CD2 3.66Å; A1080-L1184 HydrophobicContact CB-CD2 3.62Å; V1180-L1184 HydrophobicContact CG1-CD1 4.35Å; V1180-L1184 HydrophobicContact CG1-CG 4.42Å; V1180-L1184 WeakPolarHBondContact O-CG 3.28Å; V1180-L1184 PolarHBondContact O-N 3.41Å; V1182-L1184 VanDerWaalsContact C-N 3.35Å; V1182-L1184 PolarHBondContact O-N 3.34Å; L1184-S1187 PolarHBondContact O-N 2.66Å; L1184-L1188 WeakPolarHBondContact O-CG 3.25Å; L1184-L1188 PolarHBondContact O-N 2.79Å; L1184-L1226 HydrophobicContact CD1-CD2 4.01Å; L1184-L1226 HydrophobicContact CD1-CG 4.34Å; L1184-I1227 HydrophobicContact CB-CD1 3.89Å; L1184-I1227 HydrophobicContact CB-CG1 3.75Å; L1184-I1227 HydrophobicContact CD1-CG1 4.15Å; L1184-L1230 HydrophobicContact CD1-CD1 3.6Å; L1184-W1249 HydrophobicContact CD1-CZ3 4.45Å; L1184-W1249 HydrophobicContact CD2-CH2 4.05Å; L1184-W1249 HydrophobicContact CD2-CZ3 3.9Å
1185Y97.5Very high92.3Very high7 Ų715 Ų153%0.0279%0.088CC..Hα-helixtrans-60.2-49.7177.5-173.4-73.1000111.7G1181 V1182 S1187 L1188 S1189 T1191 P1193 F1209 M1210 Y1211 W1216 I1227G1181-Y1185 PolarHBondContact O-N 2.82Å; G1181-Y1185 VanDerWaalsContact O-N 3.09Å; V1182-Y1185 PolarHBondContact O-N 3.12Å; Y1185-S1187 VanDerWaalsContact C-N 3.34Å; Y1185-S1187 PolarHBondContact O-N 2.91Å; Y1185-L1188 PolarHBondContact O-N 3.36Å; Y1185-S1189 WeakPolarHBondContact CE1-OG 3.33Å; Y1185-S1189 WeakPolarHBondContact O-CB 3.48Å; Y1185-S1189 PolarHBondContact O-N 3.16Å; Y1185-S1189 PolarHBondContact O-OG 3.5Å; Y1185-T1191 WeakPolarHBondContact CD1-O 3.4Å; Y1185-T1191 WeakPolarHBondContact CE1-O 3.38Å; Y1185-P1193 HydrophobicContact CD1-CB 3.82Å; Y1185-P1193 HydrophobicContact CD1-CG 4.06Å; Y1185-P1193 HydrophobicContact CD2-CB 3.85Å; Y1185-P1193 HydrophobicContact CE1-CB 3.93Å; Y1185-P1193 HydrophobicContact CE2-CB 3.95Å; Y1185-P1193 HydrophobicContact CG-CB 3.81Å; Y1185-P1193 HydrophobicContact CG-CG 4.11Å; Y1185-F1209 HydrophobicContact CE2-CD2 4.39Å; Y1185-M1210 WeakPolarHBondContact CE2-O 3.5Å; Y1185-M1210 PolarHBondContact OH-O 3.33Å; Y1185-Y1211 HydrophobicContact CD2-CD1 4.35Å; Y1185-Y1211 AromaticContact CD2-CE1 3.97Å; Y1185-Y1211 HydrophobicContact CD2-CE1 3.97Å; Y1185-Y1211 AromaticContact CE2-CD1 3.86Å; Y1185-Y1211 HydrophobicContact CE2-CD1 3.86Å; Y1185-Y1211 AromaticContact CE2-CE1 3.91Å; Y1185-Y1211 HydrophobicContact CE2-CE1 3.91Å; Y1185-W1216 HydrophobicContact CD1-CZ2 4.07Å; Y1185-W1216 AromaticContact CD2-CH2 3.72Å; Y1185-W1216 HydrophobicContact CD2-CH2 3.72Å; Y1185-W1216 AromaticContact CD2-CZ2 3.36Å; Y1185-W1216 HydrophobicContact CD2-CZ2 3.36Å; Y1185-W1216 HydrophobicContact CE1-CZ2 4.04Å; Y1185-W1216 AromaticContact CE2-CE2 3.86Å; Y1185-W1216 HydrophobicContact CE2-CH2 4.09Å; Y1185-W1216 AromaticContact CE2-CZ2 3.34Å; Y1185-W1216 HydrophobicContact CE2-CZ2 3.34Å; Y1185-W1216 HydrophobicContact CG-CH2 4.11Å; Y1185-W1216 AromaticContact CG-CZ2 3.73Å; Y1185-W1216 HydrophobicContact CG-CZ2 3.73Å; Y1185-W1216 AromaticContact CZ-CZ2 3.68Å; Y1185-W1216 AromaticContact CZ-NE1 3.86Å; Y1185-I1227 HydrophobicContact CD2-CG2 4.37Å
1186V94.7Very high91.2Very high5 Ų519.8 Ų19.83%0.0311%0.11CC..Hα-helixtrans-64.2-39179.2175.10000111.2I1063 V1182 I1183 G1190 T1191 F1192I1063-V1186 HydrophobicContact CD1-CG1 4.4Å; V1182-V1186 HydrophobicContact CG1-CG2 4.2Å; V1182-V1186 WeakPolarHBondContact O-CG2 3.4Å; V1182-V1186 PolarHBondContact O-N 3.22Å; I1183-V1186 PolarHBondContact O-N 2.78Å; V1186-G1190 WeakPolarHBondContact O-CA 3.4Å; V1186-G1190 PolarHBondContact O-N 3.01Å; V1186-T1191 WeakPolarHBondContact CA-O 3.3Å; V1186-T1191 WeakPolarHBondContact CG2-O 3.43Å; V1186-F1192 HydrophobicContact CG2-CD1 3.87Å; V1186-F1192 HydrophobicContact CG2-CE1 4.06Å; V1186-F1192 HydrophobicContact CG2-CG 4.27Å
1187S96.8Very high89.7Confident0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-64-45.7178.8-58.30000112.4M1059 L1071 I1183 L1184 Y1185M1059-S1187 WeakPolarHBondContact CE-OG 3.14Å; L1071-S1187 PolarHBondContact N-O 3.23Å; I1183-S1187 VanDerWaalsContact O-CB 3.26Å; I1183-S1187 WeakPolarHBondContact O-CB 3.2Å; I1183-S1187 PolarHBondContact O-N 3.36Å; I1183-S1187 PolarHBondContact O-OG 2.84Å; L1184-S1187 PolarHBondContact O-N 2.66Å; Y1185-S1187 VanDerWaalsContact C-N 3.34Å; Y1185-S1187 PolarHBondContact O-N 2.91Å
1188L96.4Very high88.3Confident4 Ų433.4 Ų33.42%0.02117%0.174CC..Hα-helixtrans-79.1-26.4-177.4-65.4177.2000113.4R1070 E1073 T1076 L1184 Y1185 W1216 I1219 A1223 I1227 W1249R1070-L1188 WeakPolarHBondContact CD-O 3.11Å; E1073-L1188 HydrophobicContact CB-CD2 4.44Å; E1073-L1188 HydrophobicContact CG-CD2 3.76Å; T1076-L1188 HydrophobicContact CG2-CD2 3.96Å; T1076-L1188 HydrophobicContact CG2-CG 4.08Å; T1076-L1188 WeakPolarHBondContact OG1-CD2 3.47Å; L1184-L1188 WeakPolarHBondContact O-CG 3.25Å; L1184-L1188 PolarHBondContact O-N 2.79Å; Y1185-L1188 PolarHBondContact O-N 3.36Å; L1188-W1216 HydrophobicContact CB-CH2 4.31Å; L1188-W1216 HydrophobicContact CD1-CZ3 4.42Å; L1188-I1219 HydrophobicContact CB-CD1 3.87Å; L1188-I1219 HydrophobicContact CD1-CG2 4.08Å; L1188-A1223 HydrophobicContact CD1-CB 3.99Å; L1188-I1227 HydrophobicContact CD1-CD1 4.02Å; L1188-W1249 HydrophobicContact CD1-CZ2 4.34Å
1189S93Very high87.4Confident7 Ų738 Ų385%0.04920%0.199CC..Hα-helixtrans-107-26.7-174.970.40000115.7Y1185 T1191Y1185-S1189 WeakPolarHBondContact CE1-OG 3.33Å; Y1185-S1189 WeakPolarHBondContact O-CB 3.48Å; Y1185-S1189 PolarHBondContact O-N 3.16Å; Y1185-S1189 PolarHBondContact O-OG 3.5Å; S1189-T1191 WeakPolarHBondContact CB-OG1 3.4Å; S1189-T1191 PolarHBondContact OG-N 3.21Å; S1189-T1191 PolarHBondContact OG-O 3.27Å; S1189-T1191 VanDerWaalsContact OG-O 3.07Å; S1189-T1191 PolarHBondContact OG-OG1 3.03Å
1190G86.5Confident86.4Confident35 Ų3539.4 Ų39.436%0.36121%0.205SC..SBendtrans74.29.4-166.100000113.9G1069 V1186G1069-G1190 WeakPolarHBondContact O-CA 3.38Å; V1186-G1190 WeakPolarHBondContact O-CA 3.4Å; V1186-G1190 PolarHBondContact O-N 3.01Å
1191T84Confident85.4Confident68 Ų6840.9 Ų40.942%0.41722%0.217SC..SBendtrans-132.6156.8-175.361.80000112Y1185 V1186 S1189Y1185-T1191 WeakPolarHBondContact CD1-O 3.4Å; Y1185-T1191 WeakPolarHBondContact CE1-O 3.38Å; V1186-T1191 WeakPolarHBondContact CA-O 3.3Å; V1186-T1191 WeakPolarHBondContact CG2-O 3.43Å; S1189-T1191 WeakPolarHBondContact CB-OG1 3.4Å; S1189-T1191 PolarHBondContact OG-N 3.21Å; S1189-T1191 PolarHBondContact OG-O 3.27Å; S1189-T1191 VanDerWaalsContact OG-O 3.07Å; S1189-T1191 PolarHBondContact OG-OG1 3.03Å
1192F86.7Confident84.5Confident83 Ų8346.6 Ų46.636%0.36424%0.244SC..  trans-80.1146.1172.8-75.8-87.5000111.5A1159 Y1160 V1186 F1194A1159-F1192 HydrophobicContact CB-CD1 3.82Å; A1159-F1192 HydrophobicContact CB-CE1 3.76Å; Y1160-F1192 AromaticContact CE2-CE1 3.76Å; Y1160-F1192 HydrophobicContact CE2-CE1 3.76Å; Y1160-F1192 HydrophobicContact CE2-CZ 4.31Å; Y1160-F1192 AromaticContact CZ-CE1 3.66Å; Y1160-F1192 WeakPolarHBondContact OH-CE1 3.37Å; V1186-F1192 HydrophobicContact CG2-CD1 3.87Å; V1186-F1192 HydrophobicContact CG2-CE1 4.06Å; V1186-F1192 HydrophobicContact CG2-CG 4.27Å; F1192-F1194 VanDerWaalsContact C-N 3.3Å
1193P83.3Confident83.8Confident11 Ų1147.3 Ų47.37%0.07125%0.247CC..SBendtrans-71-25.8175.625.4-30.3000113.1V1182 Y1185 F1209V1182-P1193 HydrophobicContact CG1-CG 4.08Å; V1182-P1193 HydrophobicContact CG2-CG 4.42Å; Y1185-P1193 HydrophobicContact CD1-CB 3.82Å; Y1185-P1193 HydrophobicContact CD1-CG 4.06Å; Y1185-P1193 HydrophobicContact CD2-CB 3.85Å; Y1185-P1193 HydrophobicContact CE1-CB 3.93Å; Y1185-P1193 HydrophobicContact CE2-CB 3.95Å; Y1185-P1193 HydrophobicContact CG-CB 3.81Å; Y1185-P1193 HydrophobicContact CG-CG 4.11Å; P1193-F1209 HydrophobicContact CB-CB 3.94Å; P1193-F1209 HydrophobicContact CB-CD2 4.39Å; P1193-F1209 HydrophobicContact CB-CG 4.28Å; P1193-F1209 WeakPolarHBondContact O-CB 3.44Å
1194F83.2Confident83Confident7 Ų747.2 Ų47.23%0.03125%0.247CC..SBendtrans-112.6138.6-178-49.2-64.5000110.3W1178 V1182 F1192 I1200 Q1203 I1204 F1209W1178-F1194 AromaticContact CH2-CZ 3.98Å; W1178-F1194 HydrophobicContact CH2-CZ 3.98Å; W1178-F1194 HydrophobicContact CZ2-CE1 4.46Å; W1178-F1194 AromaticContact CZ2-CE2 3.71Å; W1178-F1194 HydrophobicContact CZ2-CE2 3.71Å; W1178-F1194 AromaticContact CZ2-CZ 3.43Å; W1178-F1194 HydrophobicContact CZ2-CZ 3.43Å; W1178-F1194 VanDerWaalsContact CZ2-CZ 3.43Å; V1182-F1194 HydrophobicContact CG2-CE2 4.25Å; F1192-F1194 VanDerWaalsContact C-N 3.3Å; F1194-I1200 HydrophobicContact CB-CD1 4.21Å; F1194-I1200 HydrophobicContact CB-CG1 3.71Å; F1194-Q1203 VanDerWaalsContact CA-OE1 3.29Å; F1194-Q1203 HydrophobicContact CD1-CB 3.98Å; F1194-I1204 HydrophobicContact CD1-CG1 4.21Å; F1194-I1204 HydrophobicContact CD2-CD1 4.24Å; F1194-I1204 HydrophobicContact CD2-CG1 3.67Å; F1194-I1204 HydrophobicContact CE1-CG1 4.31Å; F1194-I1204 HydrophobicContact CE2-CG1 3.81Å; F1194-I1204 HydrophobicContact CG-CG1 3.91Å; F1194-I1204 HydrophobicContact CZ-CG1 4.13Å; F1194-F1209 HydrophobicContact CD1-CB 4.15Å; F1194-F1209 HydrophobicContact CE1-CB 3.88Å; F1194-F1209 AromaticContact CE1-CD1 3.84Å; F1194-F1209 HydrophobicContact CE1-CD1 3.84Å; F1194-F1209 HydrophobicContact CE1-CG 4.22Å; F1194-F1209 HydrophobicContact CZ-CD1 4.18Å
1195N73.4Confident82.2Confident61 Ų6150.1 Ų50.133%0.32626%0.26SS..  trans-86.2116.1-175.1-1758.7000111.4E1197 E1198N1195-E1197 PolarHBondContact O-N 3.07Å; N1195-E1197 WeakPolarHBondContact OD1-CB 3.38Å; N1195-E1197 PolarHBondContact OD1-N 2.66Å; N1195-E1198 HydrophobicContact CB-CB 4.35Å; N1195-E1198 PolarHBondContact ND2-OE1 3.39Å; N1195-E1198 PolarHBondContact O-N 2.84Å; N1195-E1198 VanDerWaalsContact O-N 3.15Å
1196E66Low81.5Confident107 Ų10754.3 Ų54.350%0.528%0.283SS..THydrogen-bonded Turntrans-67-15.1175.9-60.6-170.1158.200114.2E1198E1196-E1198 VanDerWaalsContact C-N 3.29Å
1197E62.3Low80.9Confident171 Ų17155.3 Ų55.380%0.79929%0.292SS*.THydrogen-bonded Turntrans-79.6-11.7174.3-59-169.8177.600113N1195N1195-E1197 PolarHBondContact O-N 3.07Å; N1195-E1197 WeakPolarHBondContact OD1-CB 3.38Å; N1195-E1197 PolarHBondContact OD1-N 2.66Å
1198E68.2Low80.2Confident119 Ų11960.9 Ų60.956%0.55632%0.318SS*.SBendtrans-112.7-178179.6-72.9171.7-129.400111.4N1195 E1196 I1200 Q1203N1195-E1198 HydrophobicContact CB-CB 4.35Å; N1195-E1198 PolarHBondContact ND2-OE1 3.39Å; N1195-E1198 PolarHBondContact O-N 2.84Å; N1195-E1198 VanDerWaalsContact O-N 3.15Å; E1196-E1198 VanDerWaalsContact C-N 3.29Å; E1198-I1200 VanDerWaalsContact C-N 3.33Å; E1198-I1200 PolarHBondContact O-N 3.21Å; E1198-Q1203 PolarHBondContact OE2-NE2 2.97Å
1199D77.2Confident79.8Confident97 Ų9762.6 Ų62.652%0.51933%0.325SS..  trans-74.689.9173.2-164.5-35.1000109.9A1201 E1202 Q1203D1199-A1201 PolarHBondContact O-N 3.32Å; D1199-A1201 VanDerWaalsContact O-N 3.13Å; D1199-A1201 WeakPolarHBondContact OD1-CA 3.2Å; D1199-A1201 VanDerWaalsContact OD1-CB 3.32Å; D1199-A1201 WeakPolarHBondContact OD1-CB 3.43Å; D1199-A1201 PolarHBondContact OD1-N 2.97Å; D1199-E1202 HydrophobicContact CB-CB 3.97Å; D1199-E1202 PolarHBondContact O-N 2.85Å; D1199-E1202 PolarHBondContact OD1-N 3.03Å; D1199-E1202 VanDerWaalsContact OD1-N 3.11Å; D1199-Q1203 PolarHBondContact O-N 2.9Å
1200I75.9Confident79.6Confident37 Ų3768.9 Ų68.919%0.1936%0.356CS..Hα-helixtrans-56.2-27.6178.6-158.3176.1000112.3A1159 F1194 E1198 I1204A1159-I1200 HydrophobicContact CB-CD1 4.15Å; F1194-I1200 HydrophobicContact CB-CD1 4.21Å; F1194-I1200 HydrophobicContact CB-CG1 3.71Å; E1198-I1200 VanDerWaalsContact C-N 3.33Å; E1198-I1200 PolarHBondContact O-N 3.21Å; I1200-I1204 HydrophobicContact CG1-CD1 3.99Å; I1200-I1204 HydrophobicContact CG1-CG1 4.5Å; I1200-I1204 VanDerWaalsContact O-CB 3.32Å; I1200-I1204 WeakPolarHBondContact O-CB 3.32Å; I1200-I1204 WeakPolarHBondContact O-CD1 3.23Å; I1200-I1204 WeakPolarHBondContact O-CG1 3.49Å; I1200-I1204 PolarHBondContact O-N 3.41Å
1201A77Confident79.8Confident32 Ų3270.3 Ų70.326%0.26435%0.351SS..Hα-helixtrans-72.6-45.9176.400000110.5L1166 D1199 Q1203 I1204 E1205L1166-A1201 HydrophobicContact CD1-CB 3.98Å; D1199-A1201 PolarHBondContact O-N 3.32Å; D1199-A1201 VanDerWaalsContact O-N 3.13Å; D1199-A1201 WeakPolarHBondContact OD1-CA 3.2Å; D1199-A1201 VanDerWaalsContact OD1-CB 3.32Å; D1199-A1201 WeakPolarHBondContact OD1-CB 3.43Å; D1199-A1201 PolarHBondContact OD1-N 2.97Å; A1201-Q1203 VanDerWaalsContact C-N 3.32Å; A1201-Q1203 PolarHBondContact O-N 2.8Å; A1201-I1204 PolarHBondContact O-N 2.84Å; A1201-E1205 WeakPolarHBondContact O-CB 3.27Å; A1201-E1205 WeakPolarHBondContact O-CG 3.26Å; A1201-E1205 PolarHBondContact O-N 3.26Å
1202E80.3Confident79.8Confident120 Ų12069.9 Ų69.956%0.56135%0.349SS*.Hα-helixtrans-57.3-45.2173.7-174.2166.1-157.300111.5D1199 E1205 N1206D1199-E1202 HydrophobicContact CB-CB 3.97Å; D1199-E1202 PolarHBondContact O-N 2.85Å; D1199-E1202 PolarHBondContact OD1-N 3.03Å; D1199-E1202 VanDerWaalsContact OD1-N 3.11Å; E1202-E1205 PolarHBondContact O-N 3.05Å; E1202-N1206 WeakPolarHBondContact O-CB 3.46Å; E1202-N1206 PolarHBondContact O-N 2.94Å; E1202-N1206 PolarHBondContact O-ND2 3.04Å
1203Q79.9Confident79.8Confident15 Ų1569.4 Ų69.47%0.0736%0.356CS..Hα-helixtrans-61.8-48.7177.6-67.9-173.4-3.400112.7F1194 E1198 D1199 A1201 E1205 N1206 A1207 E1208F1194-Q1203 VanDerWaalsContact CA-OE1 3.29Å; F1194-Q1203 HydrophobicContact CD1-CB 3.98Å; E1198-Q1203 PolarHBondContact OE2-NE2 2.97Å; D1199-Q1203 PolarHBondContact O-N 2.9Å; A1201-Q1203 VanDerWaalsContact C-N 3.32Å; A1201-Q1203 PolarHBondContact O-N 2.8Å; Q1203-E1205 VanDerWaalsContact C-N 3.33Å; Q1203-E1205 PolarHBondContact O-N 3.2Å; Q1203-N1206 PolarHBondContact O-N 2.98Å; Q1203-A1207 CarbonylContact O-C 3.58Å; Q1203-A1207 WeakPolarHBondContact O-CA 3.49Å; Q1203-A1207 PolarHBondContact O-N 3.25Å; Q1203-E1208 HydrophobicContact CB-CB 4.5Å; Q1203-E1208 PolarHBondContact O-N 3.06Å
1204I82.3Confident79.9Confident1 Ų174.4 Ų74.41%0.00538%0.382CS..Hα-helixtrans-61.2-42.5175.8-73.1167.3000110.8L1161 P1163 L1166 W1178 F1194 I1200 A1201 N1206 A1207L1161-I1204 WeakPolarHBondContact O-CG2 3.08Å; P1163-I1204 HydrophobicContact CB-CG2 3.9Å; P1163-I1204 HydrophobicContact CG-CG2 4.4Å; L1166-I1204 HydrophobicContact CD1-CB 3.81Å; L1166-I1204 HydrophobicContact CD1-CD1 4.2Å; L1166-I1204 HydrophobicContact CD1-CG2 3.49Å; L1166-I1204 VanDerWaalsContact CD1-CG2 3.49Å; L1166-I1204 HydrophobicContact CG-CG2 4.49Å; W1178-I1204 HydrophobicContact CH2-CG2 4.29Å; W1178-I1204 HydrophobicContact CZ2-CB 4.29Å; W1178-I1204 HydrophobicContact CZ2-CG1 4.25Å; W1178-I1204 HydrophobicContact CZ2-CG2 3.72Å; F1194-I1204 HydrophobicContact CD1-CG1 4.21Å; F1194-I1204 HydrophobicContact CD2-CD1 4.24Å; F1194-I1204 HydrophobicContact CD2-CG1 3.67Å; F1194-I1204 HydrophobicContact CE1-CG1 4.31Å; F1194-I1204 HydrophobicContact CE2-CG1 3.81Å; F1194-I1204 HydrophobicContact CG-CG1 3.91Å; F1194-I1204 HydrophobicContact CZ-CG1 4.13Å; I1200-I1204 HydrophobicContact CG1-CD1 3.99Å; I1200-I1204 HydrophobicContact CG1-CG1 4.5Å; I1200-I1204 VanDerWaalsContact O-CB 3.32Å; I1200-I1204 WeakPolarHBondContact O-CB 3.32Å; I1200-I1204 WeakPolarHBondContact O-CD1 3.23Å; I1200-I1204 WeakPolarHBondContact O-CG1 3.49Å; I1200-I1204 PolarHBondContact O-N 3.41Å; A1201-I1204 PolarHBondContact O-N 2.84Å; I1204-N1206 VanDerWaalsContact C-N 3.27Å; I1204-N1206 PolarHBondContact O-N 2.92Å; I1204-A1207 PolarHBondContact O-N 3.06Å
1205E81.8Confident80.2Confident66 Ų6674.6 Ų74.631%0.30838%0.384SS..Hα-helixtrans-63.9-30.6-178.9-79.9-154.9178.800113.9K1167 A1201 E1202 Q1203K1167-E1205 HydrophobicContact CD-CG 4.41Å; K1167-E1205 WeakPolarHBondContact CE-OE1 3.27Å; K1167-E1205 WeakPolarHBondContact CE-OE2 3.11Å; K1167-E1205 HydrophobicContact CG-CG 4.26Å; K1167-E1205 VanDerWaalsContact CG-OE1 3.26Å; K1167-E1205 WeakPolarHBondContact CG-OE1 3.41Å; K1167-E1205 PolarHBondContact NZ-O 3.4Å; K1167-E1205 IonicContact NZ-OE2 2.7Å; K1167-E1205 PolarHBondContact NZ-OE2 3.01Å; A1201-E1205 WeakPolarHBondContact O-CB 3.27Å; A1201-E1205 WeakPolarHBondContact O-CG 3.26Å; A1201-E1205 PolarHBondContact O-N 3.26Å; E1202-E1205 PolarHBondContact O-N 3.05Å; Q1203-E1205 VanDerWaalsContact C-N 3.33Å; Q1203-E1205 PolarHBondContact O-N 3.2Å
1206N82.5Confident81.2Confident94 Ų9472.1 Ų72.150%0.50337%0.37SS..Hα-helixtrans-93.5-13.9176.8-67.9-28.8000113.3E1202 Q1203 I1204 E1208E1202-N1206 WeakPolarHBondContact O-CB 3.46Å; E1202-N1206 PolarHBondContact O-N 2.94Å; E1202-N1206 PolarHBondContact O-ND2 3.04Å; Q1203-N1206 PolarHBondContact O-N 2.98Å; I1204-N1206 VanDerWaalsContact C-N 3.27Å; I1204-N1206 PolarHBondContact O-N 2.92Å; N1206-E1208 VanDerWaalsContact C-N 3.26Å; N1206-E1208 HydrophobicContact CB-CB 4.12Å
1207A82.7Confident82.4Confident27 Ų2772.6 Ų72.622%0.22338%0.376CS..THydrogen-bonded Turntrans51.845.6-161.200000112.2W1178 Q1203 I1204 F1209 V1233W1178-A1207 HydrophobicContact CH2-CB 4.28Å; Q1203-A1207 CarbonylContact O-C 3.58Å; Q1203-A1207 WeakPolarHBondContact O-CA 3.49Å; Q1203-A1207 PolarHBondContact O-N 3.25Å; I1204-A1207 PolarHBondContact O-N 3.06Å; A1207-F1209 HydrophobicContact CB-CD1 4.47Å; A1207-F1209 HydrophobicContact CB-CE1 4.17Å; A1207-F1209 WeakPolarHBondContact O-CD1 3.31Å; A1207-F1209 PolarHBondContact O-N 3.48Å; A1207-V1233 HydrophobicContact CB-CG2 3.45Å; A1207-V1233 VanDerWaalsContact CB-CG2 3.45Å
1208E82Confident83.8Confident116 Ų11670.9 Ų70.954%0.54237%0.373SS..  trans-86.896.5176.5-173.5166.7-167.800109.6Q1203 N1206Q1203-E1208 HydrophobicContact CB-CB 4.5Å; Q1203-E1208 PolarHBondContact O-N 3.06Å; N1206-E1208 VanDerWaalsContact C-N 3.26Å; N1206-E1208 HydrophobicContact CB-CB 4.12Å
1209F87.8Confident85.1Confident40 Ų4066.2 Ų66.218%0.17535%0.351CS..  trans-145.3165.4173.263.3-83.9000109.1Y1185 P1193 F1194 A1207 Y1211 L1231Y1185-F1209 HydrophobicContact CE2-CD2 4.39Å; P1193-F1209 HydrophobicContact CB-CB 3.94Å; P1193-F1209 HydrophobicContact CB-CD2 4.39Å; P1193-F1209 HydrophobicContact CB-CG 4.28Å; P1193-F1209 WeakPolarHBondContact O-CB 3.44Å; F1194-F1209 HydrophobicContact CD1-CB 4.15Å; F1194-F1209 HydrophobicContact CE1-CB 3.88Å; F1194-F1209 AromaticContact CE1-CD1 3.84Å; F1194-F1209 HydrophobicContact CE1-CD1 3.84Å; F1194-F1209 HydrophobicContact CE1-CG 4.22Å; F1194-F1209 HydrophobicContact CZ-CD1 4.18Å; A1207-F1209 HydrophobicContact CB-CD1 4.47Å; A1207-F1209 HydrophobicContact CB-CE1 4.17Å; A1207-F1209 WeakPolarHBondContact O-CD1 3.31Å; A1207-F1209 PolarHBondContact O-N 3.48Å; F1209-Y1211 HydrophobicContact CE2-CE1 4.23Å; F1209-Y1211 HydrophobicContact CE2-CE2 4.05Å; F1209-Y1211 AromaticContact CE2-CZ 3.67Å; F1209-L1231 HydrophobicContact CD1-CD1 4.32Å; F1209-L1231 HydrophobicContact CD2-CD1 4.27Å; F1209-L1231 HydrophobicContact CE1-CB 3.64Å; F1209-L1231 HydrophobicContact CE1-CD1 3.89Å; F1209-L1231 HydrophobicContact CE1-CG 4.42Å; F1209-L1231 HydrophobicContact CE2-CD1 3.82Å; F1209-L1231 HydrophobicContact CZ-CB 3.67Å; F1209-L1231 HydrophobicContact CZ-CD1 3.63Å; F1209-L1231 HydrophobicContact CZ-CG 4.27Å
1210M87.9Confident86Confident140 Ų14063.5 Ų63.569%0.6934%0.34SS*.  trans-130.3168.1-176.5-58.8-162-5200111.8Y1185Y1185-M1210 WeakPolarHBondContact CE2-O 3.5Å; Y1185-M1210 PolarHBondContact OH-O 3.33Å
1211Y91.6Very high87Confident65 Ų6569.9 Ų69.926%0.25537%0.369SS..  trans-117.791.3168.8-59-71.5000108.6Y1185 F1209 W1216 I1224 I1227 T1228Y1185-Y1211 HydrophobicContact CD2-CD1 4.35Å; Y1185-Y1211 AromaticContact CD2-CE1 3.97Å; Y1185-Y1211 HydrophobicContact CD2-CE1 3.97Å; Y1185-Y1211 AromaticContact CE2-CD1 3.86Å; Y1185-Y1211 HydrophobicContact CE2-CD1 3.86Å; Y1185-Y1211 AromaticContact CE2-CE1 3.91Å; Y1185-Y1211 HydrophobicContact CE2-CE1 3.91Å; F1209-Y1211 HydrophobicContact CE2-CE1 4.23Å; F1209-Y1211 HydrophobicContact CE2-CE2 4.05Å; F1209-Y1211 AromaticContact CE2-CZ 3.67Å; Y1211-W1216 AromaticContact CD1-CD2 3.55Å; Y1211-W1216 HydrophobicContact CD1-CD2 3.55Å; Y1211-W1216 AromaticContact CD1-CE2 3.71Å; Y1211-W1216 AromaticContact CD1-CE3 3.6Å; Y1211-W1216 HydrophobicContact CD1-CE3 3.6Å; Y1211-W1216 HydrophobicContact CD1-CG 4.14Å; Y1211-W1216 AromaticContact CD1-CH2 3.99Å; Y1211-W1216 HydrophobicContact CD1-CH2 3.99Å; Y1211-W1216 AromaticContact CD1-CZ2 3.95Å; Y1211-W1216 HydrophobicContact CD1-CZ2 3.95Å; Y1211-W1216 AromaticContact CD1-CZ3 3.82Å; Y1211-W1216 HydrophobicContact CD1-CZ3 3.82Å; Y1211-W1216 HydrophobicContact CE1-CD2 4.41Å; Y1211-W1216 HydrophobicContact CE1-CE3 4.11Å; Y1211-W1216 AromaticContact CE1-CH2 3.94Å; Y1211-W1216 HydrophobicContact CE1-CH2 3.94Å; Y1211-W1216 HydrophobicContact CE1-CZ2 4.25Å; Y1211-W1216 AromaticContact CE1-CZ3 3.86Å; Y1211-W1216 HydrophobicContact CE1-CZ3 3.86Å; Y1211-W1216 HydrophobicContact CG-CD2 4.3Å; Y1211-W1216 HydrophobicContact CG-CE3 4.46Å; Y1211-W1216 HydrophobicContact CG-CG 4.47Å; Y1211-I1224 HydrophobicContact CD2-CG2 4.01Å; Y1211-I1224 HydrophobicContact CE1-CG2 4.32Å; Y1211-I1224 HydrophobicContact CE2-CG2 3.63Å; Y1211-I1224 HydrophobicContact CG-CG2 4.49Å; Y1211-I1224 PolarHBondContact OH-O 2.76Å; Y1211-I1227 HydrophobicContact CE1-CG2 4.34Å; Y1211-T1228 PolarHBondContact OH-N 3.23Å; Y1211-T1228 PolarHBondContact OH-OG1 3.35Å
1212P84.5Confident88Confident59 Ų5971.2 Ų71.238%0.38337%0.372SS..  trans-66.5144.9178.8-21.833.8000112.7D1214 W1216P1212-D1214 VanDerWaalsContact C-N 3.34Å; P1212-D1214 CarbonylContact O-C 3.47Å; P1212-D1214 PolarHBondContact O-N 3.07Å; P1212-D1214 VanDerWaalsContact O-N 3.17Å; P1212-W1216 WeakPolarHBondContact O-CB 3.44Å; P1212-W1216 PolarHBondContact O-N 2.79Å
1213S86.5Confident88.8Confident73 Ų7365.6 Ų65.651%0.5135%0.345SS..Hα-helixtrans-49.4-44.4-175.3-76.60000115.5P1215 W1216 D1217S1213-P1215 CarbonylContact O-C 3.43Å; S1213-W1216 PolarHBondContact O-N 3.29Å; S1213-W1216 VanDerWaalsContact O-N 3.1Å; S1213-D1217 WeakPolarHBondContact CA-OD1 3.45Å; S1213-D1217 WeakPolarHBondContact CB-OD2 3.29Å; S1213-D1217 VanDerWaalsContact O-CB 3.29Å; S1213-D1217 WeakPolarHBondContact O-CB 3.4Å; S1213-D1217 VanDerWaalsContact O-CG 3.25Å; S1213-D1217 PolarHBondContact O-N 2.72Å; S1213-D1217 PolarHBondContact OG-OD1 2.64Å; S1213-D1217 PolarHBondContact OG-OD2 3.3Å
1214D84.9Confident89.7Confident116 Ų11666.6 Ų66.662%0.6235%0.351SS*.Hα-helixtrans-94.5121163.3-179.434.1000108.9R1070 P1212R1070-D1214 IonicContact CZ-OD1 3.68Å; R1070-D1214 IonicContact NH1-OD1 3.21Å; R1070-D1214 IonicContact NH2-OD1 3.56Å; R1070-D1214 PolarHBondContact NH2-OD1 2.89Å; P1212-D1214 VanDerWaalsContact C-N 3.34Å; P1212-D1214 CarbonylContact O-C 3.47Å; P1212-D1214 PolarHBondContact O-N 3.07Å; P1212-D1214 VanDerWaalsContact O-N 3.17Å
1215P89.8Confident90.4Very high11 Ų1170.7 Ų70.77%0.07137%0.37CS..Hα-helixcis-96.512.235.1-31.5000116.2S1213 D1217 N1218 I1219S1213-P1215 CarbonylContact O-C 3.43Å; P1215-D1217 VanDerWaalsContact C-N 3.32Å; P1215-D1217 PolarHBondContact O-N 3.37Å; P1215-N1218 PolarHBondContact O-N 3.27Å; P1215-N1218 VanDerWaalsContact O-N 3.08Å; P1215-I1219 HydrophobicContact CB-CD1 4.42Å; P1215-I1219 HydrophobicContact CG-CD1 4.16Å
1216W94Very high91.2Very high8 Ų867.6 Ų67.63%0.0336%0.356CS..Hα-helixtrans-70.8-19.1-162.7-63.893.2000115.6Y1185 L1188 Y1211 P1212 S1213 N1218 I1219 I1224 I1227Y1185-W1216 HydrophobicContact CD1-CZ2 4.07Å; Y1185-W1216 AromaticContact CD2-CH2 3.72Å; Y1185-W1216 HydrophobicContact CD2-CH2 3.72Å; Y1185-W1216 AromaticContact CD2-CZ2 3.36Å; Y1185-W1216 HydrophobicContact CD2-CZ2 3.36Å; Y1185-W1216 HydrophobicContact CE1-CZ2 4.04Å; Y1185-W1216 AromaticContact CE2-CE2 3.86Å; Y1185-W1216 HydrophobicContact CE2-CH2 4.09Å; Y1185-W1216 AromaticContact CE2-CZ2 3.34Å; Y1185-W1216 HydrophobicContact CE2-CZ2 3.34Å; Y1185-W1216 HydrophobicContact CG-CH2 4.11Å; Y1185-W1216 AromaticContact CG-CZ2 3.73Å; Y1185-W1216 HydrophobicContact CG-CZ2 3.73Å; Y1185-W1216 AromaticContact CZ-CZ2 3.68Å; Y1185-W1216 AromaticContact CZ-NE1 3.86Å; L1188-W1216 HydrophobicContact CB-CH2 4.31Å; L1188-W1216 HydrophobicContact CD1-CZ3 4.42Å; Y1211-W1216 AromaticContact CD1-CD2 3.55Å; Y1211-W1216 HydrophobicContact CD1-CD2 3.55Å; Y1211-W1216 AromaticContact CD1-CE2 3.71Å; Y1211-W1216 AromaticContact CD1-CE3 3.6Å; Y1211-W1216 HydrophobicContact CD1-CE3 3.6Å; Y1211-W1216 HydrophobicContact CD1-CG 4.14Å; Y1211-W1216 AromaticContact CD1-CH2 3.99Å; Y1211-W1216 HydrophobicContact CD1-CH2 3.99Å; Y1211-W1216 AromaticContact CD1-CZ2 3.95Å; Y1211-W1216 HydrophobicContact CD1-CZ2 3.95Å; Y1211-W1216 AromaticContact CD1-CZ3 3.82Å; Y1211-W1216 HydrophobicContact CD1-CZ3 3.82Å; Y1211-W1216 HydrophobicContact CE1-CD2 4.41Å; Y1211-W1216 HydrophobicContact CE1-CE3 4.11Å; Y1211-W1216 AromaticContact CE1-CH2 3.94Å; Y1211-W1216 HydrophobicContact CE1-CH2 3.94Å; Y1211-W1216 HydrophobicContact CE1-CZ2 4.25Å; Y1211-W1216 AromaticContact CE1-CZ3 3.86Å; Y1211-W1216 HydrophobicContact CE1-CZ3 3.86Å; Y1211-W1216 HydrophobicContact CG-CD2 4.3Å; Y1211-W1216 HydrophobicContact CG-CE3 4.46Å; Y1211-W1216 HydrophobicContact CG-CG 4.47Å; P1212-W1216 WeakPolarHBondContact O-CB 3.44Å; P1212-W1216 PolarHBondContact O-N 2.79Å; S1213-W1216 PolarHBondContact O-N 3.29Å; S1213-W1216 VanDerWaalsContact O-N 3.1Å; W1216-N1218 PolarHBondContact O-N 3.3Å; W1216-I1219 HydrophobicContact CD2-CD1 3.73Å; W1216-I1219 HydrophobicContact CE3-CB 3.95Å; W1216-I1219 HydrophobicContact CE3-CD1 3.51Å; W1216-I1219 HydrophobicContact CE3-CG1 4.31Å; W1216-I1219 HydrophobicContact CE3-CG2 3.79Å; W1216-I1219 HydrophobicContact CG-CD1 4.25Å; W1216-I1219 HydrophobicContact CH2-CD1 4.43Å; W1216-I1219 HydrophobicContact CZ3-CB 4.5Å; W1216-I1219 HydrophobicContact CZ3-CD1 3.9Å; W1216-I1219 HydrophobicContact CZ3-CG2 3.88Å; W1216-I1219 PolarHBondContact O-N 2.66Å; W1216-I1219 VanDerWaalsContact O-N 3.09Å; W1216-I1224 HydrophobicContact CE3-CD1 4.1Å; W1216-I1224 HydrophobicContact CE3-CG1 3.7Å; W1216-I1224 HydrophobicContact CZ3-CG1 3.96Å; W1216-I1227 HydrophobicContact CH2-CD1 3.72Å; W1216-I1227 HydrophobicContact CZ3-CD1 3.95Å
1217D92.1Very high91.9Very high117 Ų11763.2 Ų63.263%0.62633%0.332SS*.THydrogen-bonded Turntrans-63.2-19.4171.3-69.1-7.4000112.5S1213 P1215S1213-D1217 WeakPolarHBondContact CA-OD1 3.45Å; S1213-D1217 WeakPolarHBondContact CB-OD2 3.29Å; S1213-D1217 VanDerWaalsContact O-CB 3.29Å; S1213-D1217 WeakPolarHBondContact O-CB 3.4Å; S1213-D1217 VanDerWaalsContact O-CG 3.25Å; S1213-D1217 PolarHBondContact O-N 2.72Å; S1213-D1217 PolarHBondContact OG-OD1 2.64Å; S1213-D1217 PolarHBondContact OG-OD2 3.3Å; P1215-D1217 VanDerWaalsContact C-N 3.32Å; P1215-D1217 PolarHBondContact O-N 3.37Å
1218N90.6Very high92.6Very high136 Ų13664.1 Ų64.173%0.72734%0.335SS*.THydrogen-bonded Turntrans-105.99.1177.2-56.3-79.6000113P1215 W1216P1215-N1218 PolarHBondContact O-N 3.27Å; P1215-N1218 VanDerWaalsContact O-N 3.08Å; W1216-N1218 PolarHBondContact O-N 3.3Å
1219I95.3Very high93.3Very high21 Ų2161 Ų6111%0.10832%0.32CS..SBendtrans-107.6136.8178.2-66.7168.1000108.3E1073 L1188 P1215 W1216 A1223 I1224E1073-I1219 WeakPolarHBondContact OE1-CA 3.44Å; L1188-I1219 HydrophobicContact CB-CD1 3.87Å; L1188-I1219 HydrophobicContact CD1-CG2 4.08Å; P1215-I1219 HydrophobicContact CB-CD1 4.42Å; P1215-I1219 HydrophobicContact CG-CD1 4.16Å; W1216-I1219 HydrophobicContact CD2-CD1 3.73Å; W1216-I1219 HydrophobicContact CE3-CB 3.95Å; W1216-I1219 HydrophobicContact CE3-CD1 3.51Å; W1216-I1219 HydrophobicContact CE3-CG1 4.31Å; W1216-I1219 HydrophobicContact CE3-CG2 3.79Å; W1216-I1219 HydrophobicContact CG-CD1 4.25Å; W1216-I1219 HydrophobicContact CH2-CD1 4.43Å; W1216-I1219 HydrophobicContact CZ3-CB 4.5Å; W1216-I1219 HydrophobicContact CZ3-CD1 3.9Å; W1216-I1219 HydrophobicContact CZ3-CG2 3.88Å; W1216-I1219 PolarHBondContact O-N 2.66Å; W1216-I1219 VanDerWaalsContact O-N 3.09Å; I1219-A1223 HydrophobicContact CG2-CB 3.74Å; I1219-I1224 HydrophobicContact CG2-CG1 4.28Å
1220S96.3Very high93.8Very high39 Ų3959 Ų5927%0.27331%0.312SS..  trans-60.9142.8-17567.90000113E1073 D1222 A1223 I1224 W1249E1073-S1220 PolarHBondContact OE1-N 3.2Å; E1073-S1220 PolarHBondContact OE1-OG 2.99Å; E1073-S1220 WeakPolarHBondContact OE2-CB 3.37Å; E1073-S1220 PolarHBondContact OE2-OG 3.24Å; S1220-D1222 PolarHBondContact O-N 3.26Å; S1220-D1222 VanDerWaalsContact O-N 3.14Å; S1220-A1223 WeakPolarHBondContact O-CB 3.39Å; S1220-A1223 PolarHBondContact O-N 3.3Å; S1220-A1223 WeakPolarHBondContact OG-CB 3.33Å; S1220-A1223 PolarHBondContact OG-N 2.76Å; S1220-I1224 PolarHBondContact O-N 3.01Å; S1220-I1224 VanDerWaalsContact O-N 3.15Å; S1220-W1249 PolarHBondContact OG-NE1 3.26Å
1221E97Very high94.1Very high171 Ų17152.4 Ų52.480%0.79928%0.279SS*.Hα-helixtrans-56.1-31173.4-66.3-169.2169.500111.5I1224 H1225E1221-I1224 PolarHBondContact O-N 3.02Å; E1221-H1225 WeakPolarHBondContact O-CB 3.4Å; E1221-H1225 PolarHBondContact O-N 3.2Å
1222D97.7Very high94.2Very high61 Ų6151.6 Ų51.633%0.32628%0.278SS..Hα-helixtrans-69-39.9176.7-77.8-39.2000112.7S1220 H1225 L1226 H1247 I1248 W1249S1220-D1222 PolarHBondContact O-N 3.26Å; S1220-D1222 VanDerWaalsContact O-N 3.14Å; D1222-H1225 PolarHBondContact O-N 2.86Å; D1222-L1226 PolarHBondContact O-N 3.11Å; D1222-H1247 PolarHBondContact O-CE1 2.94Å; D1222-I1248 HydrophobicContact CB-CG2 4.19Å; D1222-I1248 WeakPolarHBondContact OD1-CG2 3.2Å; D1222-W1249 HydrophobicContact CB-CB 3.97Å; D1222-W1249 HydrophobicContact CB-CG 4.39Å
1223A98Very high94.4Very high1 Ų151 Ų511%0.00827%0.273CS..Hα-helixtrans-60.7-49.2172.200000111.1L1188 I1219 S1220 H1225 L1226 I1227 W1249L1188-A1223 HydrophobicContact CD1-CB 3.99Å; I1219-A1223 HydrophobicContact CG2-CB 3.74Å; S1220-A1223 WeakPolarHBondContact O-CB 3.39Å; S1220-A1223 PolarHBondContact O-N 3.3Å; S1220-A1223 WeakPolarHBondContact OG-CB 3.33Å; S1220-A1223 PolarHBondContact OG-N 2.76Å; A1223-H1225 VanDerWaalsContact C-N 3.28Å; A1223-H1225 PolarHBondContact O-N 2.66Å; A1223-L1226 PolarHBondContact O-N 3.46Å; A1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; A1223-I1227 PolarHBondContact O-N 3.48Å; A1223-W1249 HydrophobicContact CB-CD2 4.16Å; A1223-W1249 HydrophobicContact CB-CG 4.3Å; A1223-W1249 HydrophobicContact CB-CZ2 4.01Å
1224I98Very high94.2Very high37 Ų3755.1 Ų55.119%0.1928%0.277CS..Hα-helixtrans-58.5-42176.6-68.2171.5000110.4Y1211 W1216 I1219 S1220 E1221 I1227 T1228Y1211-I1224 HydrophobicContact CD2-CG2 4.01Å; Y1211-I1224 HydrophobicContact CE1-CG2 4.32Å; Y1211-I1224 HydrophobicContact CE2-CG2 3.63Å; Y1211-I1224 HydrophobicContact CG-CG2 4.49Å; Y1211-I1224 PolarHBondContact OH-O 2.76Å; W1216-I1224 HydrophobicContact CE3-CD1 4.1Å; W1216-I1224 HydrophobicContact CE3-CG1 3.7Å; W1216-I1224 HydrophobicContact CZ3-CG1 3.96Å; I1219-I1224 HydrophobicContact CG2-CG1 4.28Å; S1220-I1224 PolarHBondContact O-N 3.01Å; S1220-I1224 VanDerWaalsContact O-N 3.15Å; E1221-I1224 PolarHBondContact O-N 3.02Å; I1224-I1227 PolarHBondContact O-N 3.12Å; I1224-T1228 VanDerWaalsContact O-CB 3.25Å; I1224-T1228 WeakPolarHBondContact O-CB 3.47Å; I1224-T1228 PolarHBondContact O-N 3.1Å; I1224-T1228 PolarHBondContact O-OG1 2.96Å
1225H97.5Very high94.2Very high86 Ų8652.3 Ų52.340%0.39826%0.262SS..Hα-helixtrans-65.6-37.5179.3179.2-136.1000112.5E1221 D1222 A1223 H1229 H1247E1221-H1225 WeakPolarHBondContact O-CB 3.4Å; E1221-H1225 PolarHBondContact O-N 3.2Å; D1222-H1225 PolarHBondContact O-N 2.86Å; A1223-H1225 VanDerWaalsContact C-N 3.28Å; A1223-H1225 PolarHBondContact O-N 2.66Å; H1225-H1229 AromaticContact CD2-CE1 3.33Å; H1225-H1229 PolarHBondContact CD2-CE1 3.15Å; H1225-H1229 AromaticContact CD2-ND1 3.36Å; H1225-H1229 PolarHBondContact CD2-ND1 3.14Å; H1225-H1229 AromaticContact NE2-CE1 3.16Å; H1225-H1229 PolarHBondContact NE2-CE1 3.31Å; H1225-H1229 AromaticContact NE2-ND1 3.5Å; H1225-H1229 PolarHBondContact NE2-ND1 3.49Å; H1225-H1229 PolarHBondContact O-N 3.4Å; H1225-H1229 PolarHBondContact O-ND1 3.06Å; H1225-H1247 AromaticContact CE1-NE2 3.82Å; H1225-H1247 AromaticContact CG-NE2 3.81Å; H1225-H1247 AromaticContact ND1-CE1 3.95Å; H1225-H1247 AromaticContact ND1-NE2 3.12Å; H1225-H1247 PolarHBondContact ND1-NE2 3.49Å; H1225-H1247 VanDerWaalsContact ND1-NE2 3.12Å
1226L98.4Very high93.8Very high2 Ų261.4 Ų61.41%0.0129%0.294CS..Hα-helixtrans-67.2-50.5173179.658.7000111.6L1184 D1222 A1223 T1228 H1229 L1230 F1239 H1247 W1249 M1250L1184-L1226 HydrophobicContact CD1-CD2 4.01Å; L1184-L1226 HydrophobicContact CD1-CG 4.34Å; D1222-L1226 PolarHBondContact O-N 3.11Å; A1223-L1226 PolarHBondContact O-N 3.46Å; L1226-T1228 VanDerWaalsContact C-N 3.32Å; L1226-T1228 PolarHBondContact O-N 3.42Å; L1226-H1229 CarbonylContact O-C 3.53Å; L1226-H1229 PolarHBondContact O-N 3.31Å; L1226-L1230 HydrophobicContact CD1-CD1 4.1Å; L1226-L1230 HydrophobicContact CD1-CG 4.26Å; L1226-L1230 HydrophobicContact CG-CD1 3.9Å; L1226-L1230 HydrophobicContact CG-CG 4.5Å; L1226-L1230 WeakPolarHBondContact O-CG 3.37Å; L1226-L1230 PolarHBondContact O-N 3.4Å; L1226-F1239 HydrophobicContact CD1-CD2 3.9Å; L1226-F1239 HydrophobicContact CD1-CE2 4.33Å; L1226-H1247 HydrophobicContact CD1-CB 4.03Å; L1226-W1249 HydrophobicContact CD2-CE3 3.59Å; L1226-W1249 HydrophobicContact CD2-CZ3 4.13Å; L1226-M1250 HydrophobicContact CD2-CG 4.09Å; L1226-M1250 HydrophobicContact CD2-SD 4Å
1227I98.3Very high93.6Very high1 Ų163.5 Ų63.51%0.00531%0.307CS..Hα-helixtrans-58.5-45.4-179.6-67.2170.7000110.7L1184 Y1185 L1188 Y1211 W1216 A1223 I1224 H1229 L1230 L1231L1184-I1227 HydrophobicContact CB-CD1 3.89Å; L1184-I1227 HydrophobicContact CB-CG1 3.75Å; L1184-I1227 HydrophobicContact CD1-CG1 4.15Å; Y1185-I1227 HydrophobicContact CD2-CG2 4.37Å; L1188-I1227 HydrophobicContact CD1-CD1 4.02Å; Y1211-I1227 HydrophobicContact CE1-CG2 4.34Å; W1216-I1227 HydrophobicContact CH2-CD1 3.72Å; W1216-I1227 HydrophobicContact CZ3-CD1 3.95Å; A1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; A1223-I1227 PolarHBondContact O-N 3.48Å; I1224-I1227 PolarHBondContact O-N 3.12Å; I1227-H1229 PolarHBondContact O-N 2.94Å; I1227-L1230 PolarHBondContact O-N 2.86Å; I1227-L1231 HydrophobicContact CG2-CD1 3.81Å; I1227-L1231 HydrophobicContact CG2-CG 4.3Å; I1227-L1231 PolarHBondContact O-N 3.45Å
1228T96.5Very high93.7Very high47 Ų4758.7 Ų58.729%0.28828%0.279SS..Hα-helixtrans-58-30.8176.8-57.30000112.8Y1211 I1224 L1226 Q1232Y1211-T1228 PolarHBondContact OH-N 3.23Å; Y1211-T1228 PolarHBondContact OH-OG1 3.35Å; I1224-T1228 VanDerWaalsContact O-CB 3.25Å; I1224-T1228 WeakPolarHBondContact O-CB 3.47Å; I1224-T1228 PolarHBondContact O-N 3.1Å; I1224-T1228 PolarHBondContact O-OG1 2.96Å; L1226-T1228 VanDerWaalsContact C-N 3.32Å; L1226-T1228 PolarHBondContact O-N 3.42Å; T1228-Q1232 PolarHBondContact O-NE2 3.24Å
1229H96.6Very high94Very high49 Ų4952.6 Ų52.623%0.22725%0.247CC..Hα-helixtrans-89.6-16.5177.6-78.996.1000114.5H1225 L1226 I1227 Q1232 R1238 F1239H1225-H1229 AromaticContact CD2-CE1 3.33Å; H1225-H1229 PolarHBondContact CD2-CE1 3.15Å; H1225-H1229 AromaticContact CD2-ND1 3.36Å; H1225-H1229 PolarHBondContact CD2-ND1 3.14Å; H1225-H1229 AromaticContact NE2-CE1 3.16Å; H1225-H1229 PolarHBondContact NE2-CE1 3.31Å; H1225-H1229 AromaticContact NE2-ND1 3.5Å; H1225-H1229 PolarHBondContact NE2-ND1 3.49Å; H1225-H1229 PolarHBondContact O-N 3.4Å; H1225-H1229 PolarHBondContact O-ND1 3.06Å; L1226-H1229 CarbonylContact O-C 3.53Å; L1226-H1229 PolarHBondContact O-N 3.31Å; I1227-H1229 PolarHBondContact O-N 2.94Å; H1229-Q1232 WeakPolarHBondContact O-CG 3.42Å; H1229-R1238 WeakPolarHBondContact O-CA 3.46Å; H1229-F1239 HydrophobicContact CB-CD1 3.7Å; H1229-F1239 HydrophobicContact CB-CD2 3.75Å; H1229-F1239 HydrophobicContact CB-CE1 3.45Å; H1229-F1239 VanDerWaalsContact CB-CE1 3.45Å; H1229-F1239 HydrophobicContact CB-CE2 3.48Å; H1229-F1239 VanDerWaalsContact CB-CE2 3.48Å; H1229-F1239 HydrophobicContact CB-CG 3.86Å; H1229-F1239 HydrophobicContact CB-CZ 3.34Å; H1229-F1239 AromaticContact CD2-CE1 3.27Å; H1229-F1239 WeakPolarHBondContact CD2-CE1 3.42Å; H1229-F1239 AromaticContact CD2-CZ 3.47Å; H1229-F1239 VanDerWaalsContact CD2-CZ 3.47Å; H1229-F1239 WeakPolarHBondContact CD2-CZ 3.37Å; H1229-F1239 AromaticContact CG-CE1 3.44Å; H1229-F1239 VanDerWaalsContact CG-CE1 3.44Å; H1229-F1239 AromaticContact CG-CE2 3.86Å; H1229-F1239 AromaticContact CG-CZ 3.25Å; H1229-F1239 AromaticContact ND1-CZ 3.84Å; H1229-F1239 PolarHBondContact O-N 2.87Å; H1229-F1239 VanDerWaalsContact O-N 3.16Å
1230L97.7Very high94Very high0 Ų053.8 Ų53.80%026%0.257CS..Hα-helixtrans-82.2-38169.1-70.1167.7000111.5M1177 V1180 L1184 L1226 I1227 Q1232 R1238 F1239 S1244M1177-L1230 HydrophobicContact CB-CD2 4.19Å; M1177-L1230 HydrophobicContact CE-CD2 3.58Å; M1177-L1230 WeakPolarHBondContact O-CD2 3.04Å; V1180-L1230 HydrophobicContact CG1-CD1 4.15Å; L1184-L1230 HydrophobicContact CD1-CD1 3.6Å; L1226-L1230 HydrophobicContact CD1-CD1 4.1Å; L1226-L1230 HydrophobicContact CD1-CG 4.26Å; L1226-L1230 HydrophobicContact CG-CD1 3.9Å; L1226-L1230 HydrophobicContact CG-CG 4.5Å; L1226-L1230 WeakPolarHBondContact O-CG 3.37Å; L1226-L1230 PolarHBondContact O-N 3.4Å; I1227-L1230 PolarHBondContact O-N 2.86Å; L1230-Q1232 PolarHBondContact O-N 3.27Å; L1230-R1238 VanDerWaalsContact O-CD 3.28Å; L1230-R1238 WeakPolarHBondContact O-CD 3.43Å; L1230-R1238 VanDerWaalsContact O-CG 3.23Å; L1230-R1238 WeakPolarHBondContact O-CG 3.43Å; L1230-F1239 HydrophobicContact CD2-CB 4.32Å; L1230-S1244 WeakPolarHBondContact CD2-OG 3.44Å
1231L95.7Very high94Very high1 Ų152 Ų521%0.00524%0.244CC..SBendtrans-84.338.8177.7-60.3-178.6000113.1W1178 V1182 F1209 I1227W1178-L1231 HydrophobicContact CD2-CD2 3.88Å; W1178-L1231 HydrophobicContact CE3-CB 4.49Å; W1178-L1231 HydrophobicContact CE3-CD2 4.18Å; W1178-L1231 HydrophobicContact CG-CD2 4.28Å; W1178-L1231 HydrophobicContact CZ2-CD2 4.28Å; W1178-L1231 VanDerWaalsContact CZ3-C 3.41Å; W1178-L1231 HydrophobicContact CZ3-CB 4.27Å; W1178-L1231 WeakPolarHBondContact CZ3-O 3.33Å; V1182-L1231 HydrophobicContact CG2-CD2 3.79Å; F1209-L1231 HydrophobicContact CD1-CD1 4.32Å; F1209-L1231 HydrophobicContact CD2-CD1 4.27Å; F1209-L1231 HydrophobicContact CE1-CB 3.64Å; F1209-L1231 HydrophobicContact CE1-CD1 3.89Å; F1209-L1231 HydrophobicContact CE1-CG 4.42Å; F1209-L1231 HydrophobicContact CE2-CD1 3.82Å; F1209-L1231 HydrophobicContact CZ-CB 3.67Å; F1209-L1231 HydrophobicContact CZ-CD1 3.63Å; F1209-L1231 HydrophobicContact CZ-CG 4.27Å; I1227-L1231 HydrophobicContact CG2-CD1 3.81Å; I1227-L1231 HydrophobicContact CG2-CG 4.3Å; I1227-L1231 PolarHBondContact O-N 3.45Å
1232Q93Very high93.8Very high48 Ų4847.7 Ų47.722%0.22422%0.224CC..  trans-88.7124176.1-72.1-69.3-56.500111.8T1228 H1229 L1230 R1234 N1237 R1238T1228-Q1232 PolarHBondContact O-NE2 3.24Å; H1229-Q1232 WeakPolarHBondContact O-CG 3.42Å; L1230-Q1232 PolarHBondContact O-N 3.27Å; Q1232-R1234 VanDerWaalsContact C-N 3.29Å; Q1232-R1234 PolarHBondContact O-N 3.45Å; Q1232-N1237 HydrophobicContact CB-CB 4.05Å; Q1232-N1237 HydrophobicContact CG-CB 3.98Å; Q1232-N1237 PolarHBondContact OE1-ND2 2.9Å; Q1232-R1238 HydrophobicContact CB-CB 4.09Å; Q1232-R1238 HydrophobicContact CB-CG 4.49Å; Q1232-R1238 PolarHBondContact O-NE 3.01Å; Q1232-R1238 PolarHBondContact O-NH2 3.02Å
1233V88.4Confident93.8Very high46 Ų4651.4 Ų51.428%0.27923%0.234SC..SBendtrans-60.9-37.4174.2-1740000112P1163 A1207 L1235P1163-V1233 HydrophobicContact CB-CG1 4.1Å; P1163-V1233 HydrophobicContact CG-CB 4.22Å; P1163-V1233 HydrophobicContact CG-CG1 3.9Å; P1163-V1233 HydrophobicContact CG-CG2 4.37Å; A1207-V1233 HydrophobicContact CB-CG2 3.45Å; A1207-V1233 VanDerWaalsContact CB-CG2 3.45Å; V1233-L1235 PolarHBondContact O-N 3.27Å
1234R83.1Confident93.8Very high160 Ų16051.4 Ų51.460%0.60423%0.233SC*.SBendtrans-84.8108.9178.4-69.8179.6176.4169.80.7109.5Q1232 R1236 N1237 R1238Q1232-R1234 VanDerWaalsContact C-N 3.29Å; Q1232-R1234 PolarHBondContact O-N 3.45Å; R1234-R1236 PolarHBondContact O-N 3.09Å; R1234-N1237 HydrophobicContact CB-CB 4.32Å; R1234-N1237 WeakPolarHBondContact O-CA 3.45Å; R1234-N1237 WeakPolarHBondContact O-CB 3.19Å; R1234-N1237 PolarHBondContact O-N 3.39Å; R1234-R1238 PolarHBondContact O-N 2.9Å
1235L83.5Confident93.8Very high56 Ų5650.7 Ų50.729%0.29323%0.23SC..G310 helixtrans-42-44.1176.4-80164.8000114.2E1164 V1233 N1237 R1238E1164-L1235 WeakPolarHBondContact OE1-CD2 3.41Å; V1233-L1235 PolarHBondContact O-N 3.27Å; L1235-N1237 PolarHBondContact O-N 3.34Å; L1235-R1238 WeakPolarHBondContact O-CB 3.45Å; L1235-R1238 PolarHBondContact O-N 3.36Å
1236R81.9Confident93.7Very high202 Ų20252.4 Ų52.476%0.76224%0.242SC*.G310 helixtrans-66.2-18.5178.872.7-178.7179.793.4-8.6115.5R1234R1234-R1236 PolarHBondContact O-N 3.09Å
1237N90.1Very high93.7Very high53 Ų5352.9 Ų52.928%0.28324%0.244SC..G310 helixtrans-93.1-23173.7-67.28.6000111.4Q1232 R1234 L1235Q1232-N1237 HydrophobicContact CB-CB 4.05Å; Q1232-N1237 HydrophobicContact CG-CB 3.98Å; Q1232-N1237 PolarHBondContact OE1-ND2 2.9Å; R1234-N1237 HydrophobicContact CB-CB 4.32Å; R1234-N1237 WeakPolarHBondContact O-CA 3.45Å; R1234-N1237 WeakPolarHBondContact O-CB 3.19Å; R1234-N1237 PolarHBondContact O-N 3.39Å; L1235-N1237 PolarHBondContact O-N 3.34Å
1238R94.7Very high93.5Very high15 Ų1557.9 Ų57.96%0.05727%0.269CS..SBendtrans-67.7137.5-179.8-160.9176.5-57.6153.56.5109.9E1164 G1174 M1177 H1229 L1230 Q1232 R1234 L1235E1164-R1238 IonicContact OE1-CZ 2.78Å; E1164-R1238 IonicContact OE1-NH1 3.94Å; E1164-R1238 PolarHBondContact OE1-NH1 2.85Å; E1164-R1238 IonicContact OE1-NH2 3.94Å; E1164-R1238 PolarHBondContact OE1-NH2 2.85Å; E1164-R1238 IonicContact OE2-CZ 2.74Å; E1164-R1238 IonicContact OE2-NH1 2.76Å; E1164-R1238 IonicContact OE2-NH2 3.77Å; E1164-R1238 PolarHBondContact OE2-NH2 3.01Å; G1174-R1238 VanDerWaalsContact C-NH1 3.3Å; G1174-R1238 WeakPolarHBondContact O-CD 2.97Å; G1174-R1238 PolarHBondContact O-NH1 2.73Å; M1177-R1238 HydrophobicContact CB-CG 4.42Å; H1229-R1238 WeakPolarHBondContact O-CA 3.46Å; L1230-R1238 VanDerWaalsContact O-CD 3.28Å; L1230-R1238 WeakPolarHBondContact O-CD 3.43Å; L1230-R1238 VanDerWaalsContact O-CG 3.23Å; L1230-R1238 WeakPolarHBondContact O-CG 3.43Å; Q1232-R1238 HydrophobicContact CB-CB 4.09Å; Q1232-R1238 HydrophobicContact CB-CG 4.49Å; Q1232-R1238 PolarHBondContact O-NE 3.01Å; Q1232-R1238 PolarHBondContact O-NH2 3.02Å; R1234-R1238 PolarHBondContact O-N 2.9Å; L1235-R1238 WeakPolarHBondContact O-CB 3.45Å; L1235-R1238 PolarHBondContact O-N 3.36Å
1239F96.6Very high93.6Very high9 Ų956 Ų564%0.03926%0.257CS..PPolyproline II helixtrans-72.8140.3177.6-71.54.5000111.3M1177 L1226 H1229 L1230 R1243 S1244 H1247M1177-F1239 WeakPolarHBondContact CG-O 3.36Å; L1226-F1239 HydrophobicContact CD1-CD2 3.9Å; L1226-F1239 HydrophobicContact CD1-CE2 4.33Å; H1229-F1239 HydrophobicContact CB-CD1 3.7Å; H1229-F1239 HydrophobicContact CB-CD2 3.75Å; H1229-F1239 HydrophobicContact CB-CE1 3.45Å; H1229-F1239 VanDerWaalsContact CB-CE1 3.45Å; H1229-F1239 HydrophobicContact CB-CE2 3.48Å; H1229-F1239 VanDerWaalsContact CB-CE2 3.48Å; H1229-F1239 HydrophobicContact CB-CG 3.86Å; H1229-F1239 HydrophobicContact CB-CZ 3.34Å; H1229-F1239 AromaticContact CD2-CE1 3.27Å; H1229-F1239 WeakPolarHBondContact CD2-CE1 3.42Å; H1229-F1239 AromaticContact CD2-CZ 3.47Å; H1229-F1239 VanDerWaalsContact CD2-CZ 3.47Å; H1229-F1239 WeakPolarHBondContact CD2-CZ 3.37Å; H1229-F1239 AromaticContact CG-CE1 3.44Å; H1229-F1239 VanDerWaalsContact CG-CE1 3.44Å; H1229-F1239 AromaticContact CG-CE2 3.86Å; H1229-F1239 AromaticContact CG-CZ 3.25Å; H1229-F1239 AromaticContact ND1-CZ 3.84Å; H1229-F1239 PolarHBondContact O-N 2.87Å; H1229-F1239 VanDerWaalsContact O-N 3.16Å; L1230-F1239 HydrophobicContact CD2-CB 4.32Å; F1239-R1243 HydrophobicContact CB-CB 4.15Å; F1239-R1243 HydrophobicContact CB-CG 4.2Å; F1239-R1243 VanDerWaalsContact CD1-CD 3.47Å; F1239-R1243 HydrophobicContact CD1-CG 3.99Å; F1239-R1243 HydrophobicContact CD2-CG 3.98Å; F1239-R1243 HydrophobicContact CE1-CG 4.38Å; F1239-R1243 VanDerWaalsContact CE1-NH2 3.34Å; F1239-R1243 HydrophobicContact CE2-CG 4.38Å; F1239-R1243 HydrophobicContact CG-CB 4.29Å; F1239-R1243 HydrophobicContact CG-CG 3.78Å; F1239-S1244 WeakPolarHBondContact CB-OG 3.5Å; F1239-H1247 AromaticContact CE2-CD2 3.81Å
1240S94.3Very high93.6Very high46 Ų4654.3 Ų54.332%0.32225%0.249SC..PPolyproline II helixtrans-79.1172.2166.776.50000110.5E1242 R1243 S1244S1240-E1242 VanDerWaalsContact C-N 3.3Å; S1240-E1242 VanDerWaalsContact CB-OE2 3.29Å; S1240-E1242 WeakPolarHBondContact CB-OE2 3.12Å; S1240-E1242 PolarHBondContact O-N 2.82Å; S1240-E1242 PolarHBondContact OG-N 2.87Å; S1240-E1242 PolarHBondContact OG-OE2 3Å; S1240-R1243 PolarHBondContact O-N 3.35Å; S1240-R1243 PolarHBondContact OG-N 2.88Å; S1240-S1244 PolarHBondContact O-N 3.04Å; S1240-S1244 PolarHBondContact O-OG 3.44Å; S1240-S1244 VanDerWaalsContact O-OG 3.13Å
1241V96.7Very high93.4Very high1 Ų157.1 Ų57.11%0.00626%0.263CS..Hα-helixtrans-52.7-48.1174.6179.20000111.8L1084 L1087 R1088 M1177 R1243 S1244 L1245L1084-V1241 HydrophobicContact CB-CG1 4.26Å; L1084-V1241 HydrophobicContact CD2-CG1 4.36Å; L1084-V1241 WeakPolarHBondContact O-CG1 3.2Å; L1087-V1241 HydrophobicContact CB-CG2 3.96Å; R1088-V1241 HydrophobicContact CB-CG1 3.72Å; R1088-V1241 HydrophobicContact CG-CG1 4.39Å; M1177-V1241 HydrophobicContact CE-CG2 4.36Å; M1177-V1241 HydrophobicContact SD-CB 4.34Å; M1177-V1241 HydrophobicContact SD-CG2 3.44Å; M1177-V1241 WeakPolarHBondContact SD-CG2 3.41Å; V1241-R1243 PolarHBondContact O-N 3.3Å; V1241-S1244 PolarHBondContact O-N 2.8Å; V1241-L1245 HydrophobicContact CG1-CD1 3.91Å; V1241-L1245 HydrophobicContact CG1-CG 4.47Å; V1241-L1245 WeakPolarHBondContact O-CB 3.41Å; V1241-L1245 WeakPolarHBondContact O-CG 3.34Å; V1241-L1245 PolarHBondContact O-N 2.79Å
1242E94Very high93.3Very high81 Ų8158.7 Ų58.738%0.37927%0.271SS..Hα-helixtrans-63.8-41.5-179.4-55.967.4-144.200111.1S1240 N1246S1240-E1242 VanDerWaalsContact C-N 3.3Å; S1240-E1242 VanDerWaalsContact CB-OE2 3.29Å; S1240-E1242 WeakPolarHBondContact CB-OE2 3.12Å; S1240-E1242 PolarHBondContact O-N 2.82Å; S1240-E1242 PolarHBondContact OG-N 2.87Å; S1240-E1242 PolarHBondContact OG-OE2 3Å; E1242-N1246 WeakPolarHBondContact O-CB 3.36Å; E1242-N1246 PolarHBondContact O-N 3.07Å; E1242-N1246 PolarHBondContact O-ND2 3.37Å
1243R96.7Very high93.3Very high139 Ų13956.6 Ų56.653%0.52526%0.261SS..Hα-helixtrans-70.8-33.8-179.9-171.7168.3-180-176.1-2.4112.1F1239 S1240 V1241 H1247F1239-R1243 HydrophobicContact CB-CB 4.15Å; F1239-R1243 HydrophobicContact CB-CG 4.2Å; F1239-R1243 VanDerWaalsContact CD1-CD 3.47Å; F1239-R1243 HydrophobicContact CD1-CG 3.99Å; F1239-R1243 HydrophobicContact CD2-CG 3.98Å; F1239-R1243 HydrophobicContact CE1-CG 4.38Å; F1239-R1243 VanDerWaalsContact CE1-NH2 3.34Å; F1239-R1243 HydrophobicContact CE2-CG 4.38Å; F1239-R1243 HydrophobicContact CG-CB 4.29Å; F1239-R1243 HydrophobicContact CG-CG 3.78Å; S1240-R1243 PolarHBondContact O-N 3.35Å; S1240-R1243 PolarHBondContact OG-N 2.88Å; V1241-R1243 PolarHBondContact O-N 3.3Å; R1243-H1247 PolarHBondContact O-N 3.36Å
1244S98.3Very high93.5Very high0 Ų055.4 Ų55.40%025%0.253CS..Hα-helixtrans-70.7-45.7174-62.30000111.8M1177 L1230 F1239 S1240 V1241 N1246 H1247 M1250M1177-S1244 WeakPolarHBondContact CE-OG 3.42Å; L1230-S1244 WeakPolarHBondContact CD2-OG 3.44Å; F1239-S1244 WeakPolarHBondContact CB-OG 3.5Å; S1240-S1244 PolarHBondContact O-N 3.04Å; S1240-S1244 PolarHBondContact O-OG 3.44Å; S1240-S1244 VanDerWaalsContact O-OG 3.13Å; V1241-S1244 PolarHBondContact O-N 2.8Å; S1244-N1246 VanDerWaalsContact C-N 3.26Å; S1244-N1246 PolarHBondContact O-N 2.93Å; S1244-H1247 WeakPolarHBondContact O-CB 3.41Å; S1244-H1247 PolarHBondContact O-N 3.4Å; S1244-M1250 WeakPolarHBondContact O-CG 3.43Å
1245L97Very high94Very high22 Ų2247.9 Ų47.912%0.11523%0.225CC..Hα-helixtrans-59.7-36175.7-74.4170.5000112.5T1081 L1084 V1085 V1241 H1247 Q1251T1081-L1245 HydrophobicContact CG2-CD2 4.07Å; L1084-L1245 HydrophobicContact CB-CD1 4.36Å; L1084-L1245 HydrophobicContact CB-CD2 3.64Å; L1084-L1245 HydrophobicContact CB-CG 3.87Å; L1084-L1245 HydrophobicContact CD1-CD2 4.01Å; L1084-L1245 HydrophobicContact CD1-CG 4.23Å; L1084-L1245 HydrophobicContact CG-CD2 4.49Å; V1085-L1245 HydrophobicContact CG2-CD1 4.37Å; V1085-L1245 HydrophobicContact CG2-CD2 4.27Å; V1241-L1245 HydrophobicContact CG1-CD1 3.91Å; V1241-L1245 HydrophobicContact CG1-CG 4.47Å; V1241-L1245 WeakPolarHBondContact O-CB 3.41Å; V1241-L1245 WeakPolarHBondContact O-CG 3.34Å; V1241-L1245 PolarHBondContact O-N 2.79Å; L1245-H1247 VanDerWaalsContact C-N 3.32Å; L1245-Q1251 PolarHBondContact O-NE2 3.43Å
1246N95.7Very high94.6Very high122 Ų12245.9 Ų45.965%0.65221%0.213SC*.THydrogen-bonded Turntrans-84.83.9176-71.1-66.1000114.3E1242 S1244E1242-N1246 WeakPolarHBondContact O-CB 3.36Å; E1242-N1246 PolarHBondContact O-N 3.07Å; E1242-N1246 PolarHBondContact O-ND2 3.37Å; S1244-N1246 VanDerWaalsContact C-N 3.26Å; S1244-N1246 PolarHBondContact O-N 2.93Å
1247H98.1Very high95.2Very high13 Ų1336.2 Ų36.26%0.0618%0.177CC..SBendtrans-72.7142.9177.4-177.7-86.1000111.1D1222 H1225 L1226 F1239 R1243 S1244 L1245 W1249 M1250 Q1251D1222-H1247 PolarHBondContact O-CE1 2.94Å; H1225-H1247 AromaticContact CE1-NE2 3.82Å; H1225-H1247 AromaticContact CG-NE2 3.81Å; H1225-H1247 AromaticContact ND1-CE1 3.95Å; H1225-H1247 AromaticContact ND1-NE2 3.12Å; H1225-H1247 PolarHBondContact ND1-NE2 3.49Å; H1225-H1247 VanDerWaalsContact ND1-NE2 3.12Å; L1226-H1247 HydrophobicContact CD1-CB 4.03Å; F1239-H1247 AromaticContact CE2-CD2 3.81Å; R1243-H1247 PolarHBondContact O-N 3.36Å; S1244-H1247 WeakPolarHBondContact O-CB 3.41Å; S1244-H1247 PolarHBondContact O-N 3.4Å; L1245-H1247 VanDerWaalsContact C-N 3.32Å; H1247-W1249 VanDerWaalsContact ND1-CB 3.3Å; H1247-W1249 WeakPolarHBondContact ND1-CB 3.31Å; H1247-W1249 PolarHBondContact ND1-N 2.93Å; H1247-W1249 PolarHBondContact O-N 3.44Å; H1247-W1249 VanDerWaalsContact O-N 3.11Å; H1247-M1250 WeakPolarHBondContact O-CA 3.37Å; H1247-M1250 WeakPolarHBondContact O-CB 3.4Å; H1247-M1250 PolarHBondContact O-N 3.32Å; H1247-Q1251 WeakPolarHBondContact O-CG 3.35Å; H1247-Q1251 PolarHBondContact O-N 3.47Å
1248I95.9Very high95.4Very high105 Ų10533.7 Ų33.754%0.53816%0.164SC..THydrogen-bonded Turntrans-53.3-35.3-175.4-173.2166.3000113.6D1222 M1250 Q1251D1222-I1248 HydrophobicContact CB-CG2 4.19Å; D1222-I1248 WeakPolarHBondContact OD1-CG2 3.2Å; I1248-M1250 VanDerWaalsContact C-N 3.31Å; I1248-M1250 PolarHBondContact O-N 2.85Å; I1248-Q1251 PolarHBondContact O-N 2.85Å; I1248-Q1251 VanDerWaalsContact O-N 3.13Å
1249W97.7Very high95.4Very high8 Ų833.4 Ų33.43%0.0316%0.163CC..THydrogen-bonded Turntrans-62.2-38176.8-171.364.3000112.7E1073 T1076 K1077 L1184 L1188 S1220 D1222 A1223 L1226 H1247 Q1251E1073-W1249 HydrophobicContact CB-CZ2 4.15Å; E1073-W1249 HydrophobicContact CG-CZ2 4.15Å; E1073-W1249 PolarHBondContact OE2-NE1 2.97Å; T1076-W1249 HydrophobicContact CG2-CH2 4.16Å; K1077-W1249 HydrophobicContact CB-CH2 3.88Å; K1077-W1249 HydrophobicContact CB-CZ2 4.08Å; K1077-W1249 HydrophobicContact CB-CZ3 4.15Å; K1077-W1249 WeakPolarHBondContact CD-O 3.3Å; K1077-W1249 WeakPolarHBondContact CE-O 3.49Å; K1077-W1249 HydrophobicContact CG-CE3 4.31Å; K1077-W1249 HydrophobicContact CG-CH2 4.46Å; K1077-W1249 HydrophobicContact CG-CZ3 4.29Å; K1077-W1249 PolarHBondContact NZ-O 3.18Å; K1077-W1249 VanDerWaalsContact NZ-O 3.1Å; L1184-W1249 HydrophobicContact CD1-CZ3 4.45Å; L1184-W1249 HydrophobicContact CD2-CH2 4.05Å; L1184-W1249 HydrophobicContact CD2-CZ3 3.9Å; L1188-W1249 HydrophobicContact CD1-CZ2 4.34Å; S1220-W1249 PolarHBondContact OG-NE1 3.26Å; D1222-W1249 HydrophobicContact CB-CB 3.97Å; D1222-W1249 HydrophobicContact CB-CG 4.39Å; A1223-W1249 HydrophobicContact CB-CD2 4.16Å; A1223-W1249 HydrophobicContact CB-CG 4.3Å; A1223-W1249 HydrophobicContact CB-CZ2 4.01Å; L1226-W1249 HydrophobicContact CD2-CE3 3.59Å; L1226-W1249 HydrophobicContact CD2-CZ3 4.13Å; H1247-W1249 VanDerWaalsContact ND1-CB 3.3Å; H1247-W1249 WeakPolarHBondContact ND1-CB 3.31Å; H1247-W1249 PolarHBondContact ND1-N 2.93Å; H1247-W1249 PolarHBondContact O-N 3.44Å; H1247-W1249 VanDerWaalsContact O-N 3.11Å; W1249-Q1251 VanDerWaalsContact C-N 3.34Å
1250M96.4Very high95.2Very high13 Ų1333 Ų336%0.06416%0.161CC..THydrogen-bonded Turntrans-78-20.3177.5-57.6-57.4-60.300112.4K1077 A1080 T1081 L1084 L1226 S1244 H1247 I1248 D1252K1077-M1250 HydrophobicContact CG-CE 4.11Å; K1077-M1250 HydrophobicContact CG-SD 3.98Å; A1080-M1250 HydrophobicContact CB-CE 4.26Å; T1081-M1250 WeakPolarHBondContact OG1-CE 3.33Å; L1084-M1250 HydrophobicContact CD1-CE 4.13Å; L1226-M1250 HydrophobicContact CD2-CG 4.09Å; L1226-M1250 HydrophobicContact CD2-SD 4Å; S1244-M1250 WeakPolarHBondContact O-CG 3.43Å; H1247-M1250 WeakPolarHBondContact O-CA 3.37Å; H1247-M1250 WeakPolarHBondContact O-CB 3.4Å; H1247-M1250 PolarHBondContact O-N 3.32Å; I1248-M1250 VanDerWaalsContact C-N 3.31Å; I1248-M1250 PolarHBondContact O-N 2.85Å; M1250-D1252 VanDerWaalsContact C-N 3.28Å; M1250-D1252 PolarHBondContact O-N 2.81Å
1251Q94.4Very high95.1Very high60 Ų6030.9 Ų30.928%0.2815%0.146SC..  trans-86.368.5-178.2-65.6-62-45.200110.7L1245 H1247 I1248 W1249 W1282L1245-Q1251 PolarHBondContact O-NE2 3.43Å; H1247-Q1251 WeakPolarHBondContact O-CG 3.35Å; H1247-Q1251 PolarHBondContact O-N 3.47Å; I1248-Q1251 PolarHBondContact O-N 2.85Å; I1248-Q1251 VanDerWaalsContact O-N 3.13Å; W1249-Q1251 VanDerWaalsContact C-N 3.34Å; Q1251-W1282 WeakPolarHBondContact O-CH2 2.94Å
1252D92.5Very high94.9Very high33 Ų3330.8 Ų30.818%0.17615%0.146CC..  trans-122.9128.3-174169.621.7000111.7K1077 M1250 I1254 C1255 W1256K1077-D1252 HydrophobicContact CD-CB 3.79Å; K1077-D1252 VanDerWaalsContact NZ-CB 3.3Å; K1077-D1252 VanDerWaalsContact NZ-CG 3.31Å; K1077-D1252 IonicContact NZ-OD2 3.41Å; K1077-D1252 PolarHBondContact NZ-OD2 2.93Å; M1250-D1252 VanDerWaalsContact C-N 3.28Å; M1250-D1252 PolarHBondContact O-N 2.81Å; D1252-I1254 PolarHBondContact O-N 3.11Å; D1252-I1254 PolarHBondContact OD1-N 3.25Å; D1252-C1255 HydrophobicContact CB-CB 3.99Å; D1252-C1255 PolarHBondContact O-N 3.32Å; D1252-W1256 PolarHBondContact O-N 3.49Å
1253Y93.4Very high94.8Very high4 Ų427 Ų272%0.01613%0.128CC..Hα-helixtrans-62.8-38.9-178.6178.7-108.4000112.7W1256 C1257 W1282 Y1285 R1286 L1309 P1310 W1312 L1315Y1253-W1256 HydrophobicContact CD2-CE3 4.12Å; Y1253-W1256 AromaticContact CE2-CE3 3.8Å; Y1253-W1256 HydrophobicContact CE2-CE3 3.8Å; Y1253-W1256 AromaticContact CE2-CZ3 3.84Å; Y1253-W1256 HydrophobicContact CE2-CZ3 3.84Å; Y1253-W1256 PolarHBondContact O-N 2.84Å; Y1253-C1257 PolarHBondContact O-N 2.86Å; Y1253-C1257 PolarHBondContact O-SG 3.46Å; Y1253-C1257 PolarHBondContact OH-SG 2.83Å; Y1253-W1282 HydrophobicContact CD2-CB 3.78Å; Y1253-W1282 AromaticContact CD2-CD2 4Å; Y1253-W1282 HydrophobicContact CD2-CD2 4Å; Y1253-W1282 AromaticContact CD2-CE3 3.72Å; Y1253-W1282 HydrophobicContact CD2-CE3 3.72Å; Y1253-W1282 HydrophobicContact CD2-CG 4.05Å; Y1253-W1282 HydrophobicContact CE2-CB 3.9Å; Y1253-W1282 HydrophobicContact CG-CE3 4.22Å; Y1253-Y1285 HydrophobicContact CD2-CD1 4.25Å; Y1253-Y1285 HydrophobicContact CG-CD1 4.01Å; Y1253-Y1285 HydrophobicContact CG-CE1 4.1Å; Y1253-R1286 VanDerWaalsContact OH-CZ 3.25Å; Y1253-R1286 PolarHBondContact OH-NH1 2.86Å; Y1253-R1286 PolarHBondContact OH-NH2 3.22Å; Y1253-L1309 HydrophobicContact CD1-CD1 3.84Å; Y1253-L1309 HydrophobicContact CD1-CD2 3.81Å; Y1253-L1309 HydrophobicContact CD1-CG 4.3Å; Y1253-L1309 HydrophobicContact CE1-CB 4.19Å; Y1253-L1309 HydrophobicContact CE1-CD1 4.23Å; Y1253-L1309 HydrophobicContact CE1-CD2 4.05Å; Y1253-L1309 HydrophobicContact CE1-CG 4.4Å; Y1253-P1310 PolarHBondContact OH-O 3.01Å; Y1253-W1312 PolarHBondContact OH-N 2.81Å; Y1253-L1315 HydrophobicContact CD1-CD2 4.09Å; Y1253-L1315 HydrophobicContact CE1-CD2 3.75Å
1254I92.7Very high94.4Very high22 Ų2220.3 Ų20.311%0.11310%0.103CC..Hα-helixtrans-67.4-48.1-178.9-46.1178.7000109.8R1074 D1252 W1256 C1257 D1258 L1315 I1321 I1323R1074-I1254 VanDerWaalsContact CZ-CG2 3.4Å; D1252-I1254 PolarHBondContact O-N 3.11Å; D1252-I1254 PolarHBondContact OD1-N 3.25Å; I1254-W1256 VanDerWaalsContact C-N 3.31Å; I1254-W1256 PolarHBondContact O-N 3.18Å; I1254-C1257 WeakPolarHBondContact O-CB 3.5Å; I1254-C1257 PolarHBondContact O-N 2.8Å; I1254-C1257 VanDerWaalsContact O-N 3.07Å; I1254-D1258 PolarHBondContact O-N 3.1Å; I1254-L1315 HydrophobicContact CB-CD2 4.31Å; I1254-L1315 HydrophobicContact CG1-CD2 4.33Å; I1254-L1315 HydrophobicContact CG2-CD2 4.05Å; I1254-I1321 HydrophobicContact CD1-CG2 4.36Å; I1254-I1323 HydrophobicContact CD1-CD1 3.58Å; I1254-I1323 HydrophobicContact CD1-CG1 3.86Å; I1254-I1323 HydrophobicContact CG1-CD1 3.94Å
1255C94.5Very high93.8Very high2 Ų221.1 Ų21.11%0.01411%0.108CC..Hα-helixtrans-56.9-44.1175.5-1730000111.7K1077 D1252 C1257 D1258 L1259K1077-C1255 HydrophobicContact CD-CB 3.77Å; K1077-C1255 HydrophobicContact CG-CB 4.37Å; D1252-C1255 HydrophobicContact CB-CB 3.99Å; D1252-C1255 PolarHBondContact O-N 3.32Å; C1255-C1257 VanDerWaalsContact C-N 3.34Å; C1255-C1257 PolarHBondContact O-N 2.82Å; C1255-D1258 PolarHBondContact O-N 3.39Å; C1255-L1259 WeakPolarHBondContact O-CD1 3.38Å; C1255-L1259 VanDerWaalsContact O-CG 3.22Å; C1255-L1259 WeakPolarHBondContact O-CG 3.44Å; C1255-L1259 PolarHBondContact O-N 3.42Å
1256W95.3Very high93.2Very high13 Ų1322.8 Ų22.85%0.04912%0.116CC..Hα-helixtrans-58.4-43.9174.1177.582.9000111.9D1252 Y1253 I1254 D1258 L1259 R1260 D1279 W1282 W1312D1252-W1256 PolarHBondContact O-N 3.49Å; Y1253-W1256 HydrophobicContact CD2-CE3 4.12Å; Y1253-W1256 AromaticContact CE2-CE3 3.8Å; Y1253-W1256 HydrophobicContact CE2-CE3 3.8Å; Y1253-W1256 AromaticContact CE2-CZ3 3.84Å; Y1253-W1256 HydrophobicContact CE2-CZ3 3.84Å; Y1253-W1256 PolarHBondContact O-N 2.84Å; I1254-W1256 VanDerWaalsContact C-N 3.31Å; I1254-W1256 PolarHBondContact O-N 3.18Å; W1256-D1258 PolarHBondContact O-N 2.81Å; W1256-L1259 PolarHBondContact O-N 3.49Å; W1256-R1260 HydrophobicContact CD2-CG 3.79Å; W1256-R1260 VanDerWaalsContact CE2-CG 3.42Å; W1256-R1260 HydrophobicContact CE3-CG 4.2Å; W1256-R1260 HydrophobicContact CG-CG 4.36Å; W1256-R1260 HydrophobicContact CH2-CG 3.99Å; W1256-R1260 HydrophobicContact CZ2-CG 3.54Å; W1256-R1260 HydrophobicContact CZ3-CG 4.3Å; W1256-R1260 WeakPolarHBondContact O-CB 3.16Å; W1256-R1260 VanDerWaalsContact O-CG 3.27Å; W1256-R1260 WeakPolarHBondContact O-CG 3.48Å; W1256-R1260 PolarHBondContact O-N 3.43Å; W1256-D1279 HydrophobicContact CZ2-CB 4.31Å; W1256-W1282 AromaticContact CD1-CD1 3.49Å; W1256-W1282 VanDerWaalsContact CD1-CD1 3.49Å; W1256-W1282 AromaticContact CD1-NE1 3.47Å; W1256-W1282 HydrophobicContact CD2-CB 4.16Å; W1256-W1282 AromaticContact CD2-CD1 3.31Å; W1256-W1282 AromaticContact CD2-CG 3.83Å; W1256-W1282 HydrophobicContact CD2-CG 3.83Å; W1256-W1282 AromaticContact CD2-NE1 3.93Å; W1256-W1282 AromaticContact CE2-CD1 3.45Å; W1256-W1282 VanDerWaalsContact CE2-CD1 3.45Å; W1256-W1282 HydrophobicContact CE3-CB 3.87Å; W1256-W1282 AromaticContact CE3-CD1 3.9Å; W1256-W1282 AromaticContact CE3-CG 3.96Å; W1256-W1282 HydrophobicContact CE3-CG 3.96Å; W1256-W1282 AromaticContact CG-CD1 3.36Å; W1256-W1282 HydrophobicContact CG-CG 4.12Å; W1256-W1282 AromaticContact CG-NE1 3.44Å; W1256-W1282 HydrophobicContact CH2-CB 4.21Å; W1256-W1282 HydrophobicContact CZ2-CB 4.48Å; W1256-W1282 HydrophobicContact CZ3-CB 3.89Å; W1256-W1282 HydrophobicContact CZ3-CG 4.44Å; W1256-W1282 AromaticContact NE1-CD1 3.52Å; W1256-W1282 AromaticContact NE1-NE1 3.94Å; W1256-W1312 HydrophobicContact CE3-CB 4.4Å; W1256-W1312 HydrophobicContact CH2-CB 4.39Å; W1256-W1312 HydrophobicContact CH2-CG 4.31Å; W1256-W1312 HydrophobicContact CZ3-CB 3.73Å; W1256-W1312 HydrophobicContact CZ3-CG 4.12Å
1257C94.4Very high92.2Very high0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-60.1-45.9175.3-620000112.4Y1253 I1254 C1255 L1259 R1260 R1261 W1312 L1315 A1316Y1253-C1257 PolarHBondContact O-N 2.86Å; Y1253-C1257 PolarHBondContact O-SG 3.46Å; Y1253-C1257 PolarHBondContact OH-SG 2.83Å; I1254-C1257 WeakPolarHBondContact O-CB 3.5Å; I1254-C1257 PolarHBondContact O-N 2.8Å; I1254-C1257 VanDerWaalsContact O-N 3.07Å; C1255-C1257 VanDerWaalsContact C-N 3.34Å; C1255-C1257 PolarHBondContact O-N 2.82Å; C1257-L1259 VanDerWaalsContact C-N 3.3Å; C1257-L1259 PolarHBondContact O-N 2.7Å; C1257-R1260 PolarHBondContact O-N 2.79Å; C1257-R1261 PolarHBondContact O-N 2.99Å; C1257-W1312 HydrophobicContact CB-CB 3.97Å; C1257-W1312 VanDerWaalsContact SG-CA 3.59Å; C1257-W1312 WeakPolarHBondContact SG-CB 3.16Å; C1257-L1315 HydrophobicContact CB-CD2 3.96Å; C1257-A1316 HydrophobicContact CB-CB 4.11Å; C1257-A1316 WeakPolarHBondContact O-CB 3.3Å
1258D94Very high91Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-61.1-38.3178.7-65.9-32000111.9R1074 Y1078 F1131 I1254 C1255 W1256 L1262 W1317R1074-D1258 IonicContact CZ-OD1 3.49Å; R1074-D1258 IonicContact CZ-OD2 3.42Å; R1074-D1258 IonicContact NE-OD1 2.66Å; R1074-D1258 IonicContact NE-OD2 3.48Å; R1074-D1258 PolarHBondContact NE-OD2 2.95Å; R1074-D1258 VanDerWaalsContact NH2-CG 3.34Å; R1074-D1258 IonicContact NH2-OD1 2.76Å; R1074-D1258 PolarHBondContact NH2-OD1 3.41Å; R1074-D1258 IonicContact NH2-OD2 2.7Å; R1074-D1258 PolarHBondContact NH2-OD2 3.22Å; R1074-D1258 VanDerWaalsContact NH2-OD2 3.09Å; Y1078-D1258 HydrophobicContact CD2-CB 3.8Å; Y1078-D1258 HydrophobicContact CE2-CB 4.04Å; F1131-D1258 HydrophobicContact CD1-CB 4.2Å; F1131-D1258 HydrophobicContact CE1-CB 4.28Å; F1131-D1258 WeakPolarHBondContact CE1-OD2 3.34Å; I1254-D1258 PolarHBondContact O-N 3.1Å; C1255-D1258 PolarHBondContact O-N 3.39Å; W1256-D1258 PolarHBondContact O-N 2.81Å; D1258-L1262 PolarHBondContact O-N 3.14Å; D1258-L1262 VanDerWaalsContact O-N 3.16Å; D1258-W1317 PolarHBondContact O-NE1 3.18Å; D1258-W1317 PolarHBondContact OD1-N 2.92Å
1259L94.9Very high89.8Confident8 Ų823.3 Ų23.34%0.04212%0.121CC..Hα-helixtrans-69.9-41.9174.6-64.7162.8000112Y1078 T1081 Q1082 C1255 W1256 C1257 R1261 L1262 E1263 L1273 T1274Y1078-L1259 HydrophobicContact CD2-CD2 3.65Å; Y1078-L1259 HydrophobicContact CD2-CG 3.94Å; Y1078-L1259 HydrophobicContact CE2-CD2 3.85Å; Y1078-L1259 HydrophobicContact CE2-CG 4.28Å; T1081-L1259 HydrophobicContact CG2-CD1 3.57Å; T1081-L1259 HydrophobicContact CG2-CD2 4.32Å; Q1082-L1259 HydrophobicContact CG-CD2 3.97Å; C1255-L1259 WeakPolarHBondContact O-CD1 3.38Å; C1255-L1259 VanDerWaalsContact O-CG 3.22Å; C1255-L1259 WeakPolarHBondContact O-CG 3.44Å; C1255-L1259 PolarHBondContact O-N 3.42Å; W1256-L1259 PolarHBondContact O-N 3.49Å; C1257-L1259 VanDerWaalsContact C-N 3.3Å; C1257-L1259 PolarHBondContact O-N 2.7Å; L1259-R1261 VanDerWaalsContact C-N 3.29Å; L1259-R1261 PolarHBondContact O-N 3.47Å; L1259-L1262 WeakPolarHBondContact O-CB 3.27Å; L1259-L1262 PolarHBondContact O-N 2.85Å; L1259-L1262 VanDerWaalsContact O-N 3.15Å; L1259-E1263 WeakPolarHBondContact O-CG 3.43Å; L1259-E1263 PolarHBondContact O-N 3.31Å; L1259-L1273 HydrophobicContact CD2-CB 4.48Å; L1259-L1273 HydrophobicContact CD2-CD1 3.86Å; L1259-T1274 HydrophobicContact CB-CG2 3.99Å
1260R92.7Very high89Confident2 Ų226 Ų261%0.00814%0.141CC..Hα-helixtrans-60.6-37.9176-73.4-63.1-58104.917.1112W1256 C1257 E1263 A1264 R1271 T1274 W1312W1256-R1260 HydrophobicContact CD2-CG 3.79Å; W1256-R1260 VanDerWaalsContact CE2-CG 3.42Å; W1256-R1260 HydrophobicContact CE3-CG 4.2Å; W1256-R1260 HydrophobicContact CG-CG 4.36Å; W1256-R1260 HydrophobicContact CH2-CG 3.99Å; W1256-R1260 HydrophobicContact CZ2-CG 3.54Å; W1256-R1260 HydrophobicContact CZ3-CG 4.3Å; W1256-R1260 WeakPolarHBondContact O-CB 3.16Å; W1256-R1260 VanDerWaalsContact O-CG 3.27Å; W1256-R1260 WeakPolarHBondContact O-CG 3.48Å; W1256-R1260 PolarHBondContact O-N 3.43Å; C1257-R1260 PolarHBondContact O-N 2.79Å; R1260-E1263 IonicContact CZ-OE2 3.75Å; R1260-E1263 IonicContact NH1-OE2 3.44Å; R1260-E1263 PolarHBondContact NH1-OE2 3.19Å; R1260-A1264 WeakPolarHBondContact O-CB 3.37Å; R1260-A1264 PolarHBondContact O-N 3.08Å; R1260-R1271 VanDerWaalsContact CZ-NE 3.33Å; R1260-R1271 VanDerWaalsContact NH1-CD 3.35Å; R1260-T1274 WeakPolarHBondContact CD-OG1 3.37Å; R1260-T1274 HydrophobicContact CG-CG2 4.22Å; R1260-W1312 HydrophobicContact CB-CD2 3.98Å; R1260-W1312 HydrophobicContact CB-CE3 3.58Å; R1260-W1312 HydrophobicContact CB-CH2 4.48Å; R1260-W1312 HydrophobicContact CB-CZ3 3.86Å
1261R91.7Very high88.6Confident0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-66.6-42.1173-179.7167.8178.5123.812.3112.1L1120 P1121 C1257 L1259 E1263 A1264 T1265 W1312 A1316 W1317L1120-R1261 HydrophobicContact CD1-CG 4.44Å; P1121-R1261 VanDerWaalsContact O-CZ 3.27Å; P1121-R1261 PolarHBondContact O-NH1 3.31Å; P1121-R1261 PolarHBondContact O-NH2 3.19Å; C1257-R1261 PolarHBondContact O-N 2.99Å; L1259-R1261 VanDerWaalsContact C-N 3.29Å; L1259-R1261 PolarHBondContact O-N 3.47Å; R1261-E1263 PolarHBondContact O-N 3.23Å; R1261-A1264 PolarHBondContact O-N 3.26Å; R1261-T1265 WeakPolarHBondContact O-CB 3.32Å; R1261-T1265 PolarHBondContact O-N 2.87Å; R1261-T1265 PolarHBondContact O-OG1 3.21Å; R1261-W1312 HydrophobicContact CB-CZ3 4.45Å; R1261-A1316 HydrophobicContact CB-CB 3.44Å; R1261-A1316 VanDerWaalsContact CB-CB 3.44Å; R1261-A1316 HydrophobicContact CG-CB 4.14Å; R1261-W1317 HydrophobicContact CB-CZ2 4.41Å; R1261-W1317 VanDerWaalsContact CD-CD2 3.45Å; R1261-W1317 HydrophobicContact CG-CD2 3.87Å; R1261-W1317 HydrophobicContact CG-CE3 4.13Å; R1261-W1317 HydrophobicContact CG-CG 4.37Å; R1261-W1317 HydrophobicContact CG-CH2 4.14Å; R1261-W1317 HydrophobicContact CG-CZ2 3.91Å; R1261-W1317 HydrophobicContact CG-CZ3 4.26Å
1262L92.4Very high88.4Confident0 Ų027.7 Ų27.70%015%0.145CC..Hα-helixtrans-58.4-46.5174.1-176.864.9000112.2Y1078 Q1082 P1110 Q1133 D1258 L1259 T1265 L1266 L1273 W1317Y1078-L1262 HydrophobicContact CE2-CB 4.43Å; Y1078-L1262 HydrophobicContact CE2-CD2 4.36Å; Y1078-L1262 WeakPolarHBondContact OH-CD2 3.32Å; Q1082-L1262 HydrophobicContact CG-CD2 4.35Å; P1110-L1262 HydrophobicContact CB-CD1 4.25Å; P1110-L1262 HydrophobicContact CG-CD1 3.45Å; P1110-L1262 VanDerWaalsContact CG-CD1 3.45Å; Q1133-L1262 HydrophobicContact CB-CD1 4.16Å; Q1133-L1262 HydrophobicContact CB-CD2 4.46Å; Q1133-L1262 HydrophobicContact CG-CD2 4.48Å; D1258-L1262 PolarHBondContact O-N 3.14Å; D1258-L1262 VanDerWaalsContact O-N 3.16Å; L1259-L1262 WeakPolarHBondContact O-CB 3.27Å; L1259-L1262 PolarHBondContact O-N 2.85Å; L1259-L1262 VanDerWaalsContact O-N 3.15Å; L1262-T1265 PolarHBondContact O-N 3.1Å; L1262-L1266 HydrophobicContact CD1-CD1 3.53Å; L1262-L1266 HydrophobicContact CD1-CG 4.02Å; L1262-L1266 HydrophobicContact CG-CD1 3.82Å; L1262-L1266 WeakPolarHBondContact O-CB 3.29Å; L1262-L1266 WeakPolarHBondContact O-CG 3.34Å; L1262-L1266 PolarHBondContact O-N 3.17Å; L1262-L1266 VanDerWaalsContact O-N 3.09Å; L1262-L1273 HydrophobicContact CD2-CD1 3.64Å; L1262-L1273 HydrophobicContact CG-CD1 4.36Å; L1262-W1317 HydrophobicContact CB-CZ2 4.1Å; L1262-W1317 HydrophobicContact CD1-CZ2 4.19Å
1263E92.1Very high88.4Confident0 Ų026.9 Ų26.90%014%0.141CC..Hα-helixtrans-62.5-43.7176.8-68.6178.8134.900112.4L1259 R1260 R1261 S1267 R1271 F1272 L1273 T1274L1259-E1263 WeakPolarHBondContact O-CG 3.43Å; L1259-E1263 PolarHBondContact O-N 3.31Å; R1260-E1263 IonicContact CZ-OE2 3.75Å; R1260-E1263 IonicContact NH1-OE2 3.44Å; R1260-E1263 PolarHBondContact NH1-OE2 3.19Å; R1261-E1263 PolarHBondContact O-N 3.23Å; E1263-S1267 PolarHBondContact O-N 2.89Å; E1263-S1267 PolarHBondContact O-OG 2.98Å; E1263-R1271 WeakPolarHBondContact OE1-CA 3.44Å; E1263-F1272 HydrophobicContact CB-CE1 4.27Å; E1263-F1272 HydrophobicContact CG-CD1 4.01Å; E1263-F1272 HydrophobicContact CG-CE1 3.85Å; E1263-F1272 HydrophobicContact CG-CZ 4.35Å; E1263-F1272 PolarHBondContact OE1-N 2.94Å; E1263-L1273 HydrophobicContact CG-CB 4.21Å; E1263-L1273 HydrophobicContact CG-CD1 4.22Å; E1263-L1273 HydrophobicContact CG-CG 4.41Å; E1263-L1273 WeakPolarHBondContact OE1-CA 3.45Å; E1263-L1273 PolarHBondContact OE1-N 3.3Å; E1263-T1274 PolarHBondContact OE1-N 3.09Å; E1263-T1274 PolarHBondContact OE2-OG1 2.95Å; E1263-T1274 VanDerWaalsContact OE2-OG1 3.08Å
1264A88.5Confident88.4Confident0 Ų027.5 Ų27.50%015%0.145CC..Hα-helixtrans-57.2-55.4175.100000110.7M1118 L1120 R1260 R1261 L1266 E1269 W1312M1118-A1264 HydrophobicContact CE-CB 4.14Å; M1118-A1264 WeakPolarHBondContact CE-O 3.39Å; L1120-A1264 HydrophobicContact CD1-CB 3.77Å; R1260-A1264 WeakPolarHBondContact O-CB 3.37Å; R1260-A1264 PolarHBondContact O-N 3.08Å; R1261-A1264 PolarHBondContact O-N 3.26Å; A1264-L1266 VanDerWaalsContact C-N 3.32Å; A1264-L1266 PolarHBondContact O-N 3.18Å; A1264-E1269 HydrophobicContact CB-CG 4.38Å; A1264-W1312 HydrophobicContact CB-CH2 4.16Å
1265T86.4Confident88.2Confident17 Ų1728.7 Ų28.710%0.10416%0.158CC..Hα-helixtrans-59.4-34.9-177.1-61.50000114.2P1110 P1111 R1261 L1262 W1317P1110-T1265 HydrophobicContact CB-CG2 3.74Å; P1111-T1265 HydrophobicContact CG-CG2 4.07Å; P1111-T1265 WeakPolarHBondContact O-CG2 3.35Å; R1261-T1265 WeakPolarHBondContact O-CB 3.32Å; R1261-T1265 PolarHBondContact O-N 2.87Å; R1261-T1265 PolarHBondContact O-OG1 3.21Å; L1262-T1265 PolarHBondContact O-N 3.1Å; T1265-W1317 HydrophobicContact CG2-CH2 4.48Å
1266L84.6Confident87.8Confident57 Ų5733.8 Ų33.830%0.29819%0.185SC..Hα-helixtrans-94-26.3-171.3-69.7178.4000115.3P1110 Q1133 L1262 A1264 F1272P1110-L1266 HydrophobicContact CB-CD2 4.33Å; Q1133-L1266 HydrophobicContact CB-CD1 4.11Å; Q1133-L1266 HydrophobicContact CG-CD1 3.89Å; L1262-L1266 HydrophobicContact CD1-CD1 3.53Å; L1262-L1266 HydrophobicContact CD1-CG 4.02Å; L1262-L1266 HydrophobicContact CG-CD1 3.82Å; L1262-L1266 WeakPolarHBondContact O-CB 3.29Å; L1262-L1266 WeakPolarHBondContact O-CG 3.34Å; L1262-L1266 PolarHBondContact O-N 3.17Å; L1262-L1266 VanDerWaalsContact O-N 3.09Å; A1264-L1266 VanDerWaalsContact C-N 3.32Å; A1264-L1266 PolarHBondContact O-N 3.18Å; L1266-F1272 HydrophobicContact CD1-CZ 4.18Å
1267S73.3Confident87.4Confident33 Ų3337 Ų3723%0.23122%0.215CC..Hα-helixtrans-14528.3-162.4630000114.8E1263 E1269 S1270E1263-S1267 PolarHBondContact O-N 2.89Å; E1263-S1267 PolarHBondContact O-OG 2.98Å; S1267-E1269 VanDerWaalsContact C-N 3.27Å; S1267-E1269 PolarHBondContact O-N 3.46Å; S1267-S1270 WeakPolarHBondContact CB-OG 2.78Å; S1267-S1270 WeakPolarHBondContact O-CB 3.47Å; S1267-S1270 PolarHBondContact O-N 2.93Å; S1267-S1270 PolarHBondContact O-OG 2.92Å; S1267-S1270 PolarHBondContact OG-O 3.15Å; S1267-S1270 PolarHBondContact OG-OG 2.94Å
1268N74.3Confident87.1Confident144 Ų14439 Ų3977%0.7723%0.225SC*.THydrogen-bonded Turntrans49.750.2-179.2-64.9-4000111.4S1270N1268-S1270 VanDerWaalsContact C-N 3.3Å; N1268-S1270 PolarHBondContact O-N 3.37Å
1269E70.4Confident87Confident73 Ų7341 Ų4134%0.34124%0.236SC..THydrogen-bonded Turntrans67.66.6-176.8-49.4-163.2161.100117.6M1118 A1264 S1267 R1271 K1313M1118-E1269 HydrophobicContact CE-CG 4.11Å; A1264-E1269 HydrophobicContact CB-CG 4.38Å; S1267-E1269 VanDerWaalsContact C-N 3.27Å; S1267-E1269 PolarHBondContact O-N 3.46Å; E1269-R1271 PolarHBondContact O-N 2.97Å; E1269-R1271 PolarHBondContact O-NH1 3.33Å; E1269-K1313 IonicContact OE1-NZ 2.91Å
1270S80.3Confident86.8Confident65 Ų6543.3 Ų43.346%0.45526%0.256SS..  trans-62.1133.217589.20000111.4S1267 N1268S1267-S1270 WeakPolarHBondContact CB-OG 2.78Å; S1267-S1270 WeakPolarHBondContact O-CB 3.47Å; S1267-S1270 PolarHBondContact O-N 2.93Å; S1267-S1270 PolarHBondContact O-OG 2.92Å; S1267-S1270 PolarHBondContact OG-O 3.15Å; S1267-S1270 PolarHBondContact OG-OG 2.94Å; N1268-S1270 VanDerWaalsContact C-N 3.3Å; N1268-S1270 PolarHBondContact O-N 3.37Å
1271R88.6Confident86.9Confident75 Ų7548.2 Ų48.228%0.28328%0.275SS..  trans-83.1130.7-177.2-58.1-57.3-167.6-89.1-2.3111R1260 E1263 E1269 N1276 D1279R1260-R1271 VanDerWaalsContact CZ-NE 3.33Å; R1260-R1271 VanDerWaalsContact NH1-CD 3.35Å; E1263-R1271 WeakPolarHBondContact OE1-CA 3.44Å; E1269-R1271 PolarHBondContact O-N 2.97Å; E1269-R1271 PolarHBondContact O-NH1 3.33Å; R1271-N1276 WeakPolarHBondContact CG-OD1 3.42Å; R1271-N1276 PolarHBondContact NE-OD1 2.97Å; R1271-N1276 VanDerWaalsContact NE-OD1 3.11Å; R1271-D1279 IonicContact CZ-OD2 2.66Å; R1271-D1279 IonicContact NH2-OD2 2.81Å; R1271-D1279 PolarHBondContact NH2-OD2 3.44Å
1272F89.5Confident87Confident34 Ų3448.9 Ų48.915%0.14928%0.277CS..SBendtrans-142.7-21.4172.166.8-88.7000113.9P1033 V1085 E1263 L1266P1033-F1272 HydrophobicContact CB-CD2 3.67Å; P1033-F1272 HydrophobicContact CB-CE1 4.45Å; P1033-F1272 HydrophobicContact CB-CE2 3.48Å; P1033-F1272 VanDerWaalsContact CB-CE2 3.48Å; P1033-F1272 HydrophobicContact CB-CG 4.27Å; P1033-F1272 HydrophobicContact CB-CZ 3.91Å; P1033-F1272 HydrophobicContact CG-CB 4.33Å; P1033-F1272 HydrophobicContact CG-CD1 4.22Å; P1033-F1272 HydrophobicContact CG-CD2 3.69Å; P1033-F1272 HydrophobicContact CG-CE1 4.46Å; P1033-F1272 HydrophobicContact CG-CE2 4Å; P1033-F1272 HydrophobicContact CG-CG 3.84Å; P1033-F1272 HydrophobicContact CG-CZ 4.38Å; V1085-F1272 VanDerWaalsContact CG1-O 3.29Å; V1085-F1272 WeakPolarHBondContact CG1-O 3.42Å; E1263-F1272 HydrophobicContact CB-CE1 4.27Å; E1263-F1272 HydrophobicContact CG-CD1 4.01Å; E1263-F1272 HydrophobicContact CG-CE1 3.85Å; E1263-F1272 HydrophobicContact CG-CZ 4.35Å; E1263-F1272 PolarHBondContact OE1-N 2.94Å; L1266-F1272 HydrophobicContact CD1-CZ 4.18Å
1273L93.4Very high87.1Confident16 Ų1651.9 Ų51.98%0.08429%0.291CS..SBendtrans-100.9-43.9175.5-63.9167.3000111.9Q1082 V1085 L1259 L1262 E1263Q1082-L1273 HydrophobicContact CB-CD2 4.15Å; Q1082-L1273 HydrophobicContact CG-CD1 4.05Å; Q1082-L1273 HydrophobicContact CG-CD2 3.86Å; V1085-L1273 HydrophobicContact CB-CD2 4.06Å; V1085-L1273 HydrophobicContact CG1-CD2 4.09Å; V1085-L1273 HydrophobicContact CG2-CD2 4.28Å; L1259-L1273 HydrophobicContact CD2-CB 4.48Å; L1259-L1273 HydrophobicContact CD2-CD1 3.86Å; L1262-L1273 HydrophobicContact CD2-CD1 3.64Å; L1262-L1273 HydrophobicContact CG-CD1 4.36Å; E1263-L1273 HydrophobicContact CG-CB 4.21Å; E1263-L1273 HydrophobicContact CG-CD1 4.22Å; E1263-L1273 HydrophobicContact CG-CG 4.41Å; E1263-L1273 WeakPolarHBondContact OE1-CA 3.45Å; E1263-L1273 PolarHBondContact OE1-N 3.3Å
1274T92.3Very high87.1Confident16 Ų1660.4 Ų60.410%0.09832%0.323CS..SBendtrans-106.7166.4-178.680.80000111.8L1259 R1260 E1263L1259-T1274 HydrophobicContact CB-CG2 3.99Å; R1260-T1274 WeakPolarHBondContact CD-OG1 3.37Å; R1260-T1274 HydrophobicContact CG-CG2 4.22Å; E1263-T1274 PolarHBondContact OE1-N 3.09Å; E1263-T1274 PolarHBondContact OE2-OG1 2.95Å; E1263-T1274 VanDerWaalsContact OE2-OG1 3.08Å
1275A88.5Confident87.4Confident48 Ų4865.1 Ų65.140%0.39734%0.342SS..  trans-106.2145.2172.200000111.2A1277 D1278A1275-A1277 PolarHBondContact O-N 3.24Å; A1275-A1277 VanDerWaalsContact O-N 3.09Å; A1275-D1278 PolarHBondContact N-OD2 2.91Å; A1275-D1278 WeakPolarHBondContact O-CB 3.47Å; A1275-D1278 PolarHBondContact O-N 2.92Å
1276N87.2Confident87.7Confident109 Ų10964.9 Ų64.958%0.58334%0.339SS*.Hα-helixtrans-57.6-24.7174-72.3-21.4000113.3R1271 D1278 D1279R1271-N1276 WeakPolarHBondContact CG-OD1 3.42Å; R1271-N1276 PolarHBondContact NE-OD1 2.97Å; R1271-N1276 VanDerWaalsContact NE-OD1 3.11Å; N1276-D1278 VanDerWaalsContact C-N 3.26Å; N1276-D1278 PolarHBondContact O-N 3.29Å; N1276-D1279 PolarHBondContact O-N 3.17Å
1277A85.3Confident88.1Confident81 Ų8167.7 Ų67.767%0.66935%0.351SS*.Hα-helixtrans-69.8-22.917500000113A1275A1275-A1277 PolarHBondContact O-N 3.24Å; A1275-A1277 VanDerWaalsContact O-N 3.09Å
1278D89.2Confident89.1Confident41 Ų4172.1 Ų72.122%0.21937%0.366CS..Hα-helixtrans-74.2-29.6176.1-71.7-55.2000111.8A1275 N1276 A1280 R1281 W1282A1275-D1278 PolarHBondContact N-OD2 2.91Å; A1275-D1278 WeakPolarHBondContact O-CB 3.47Å; A1275-D1278 PolarHBondContact O-N 2.92Å; N1276-D1278 VanDerWaalsContact C-N 3.26Å; N1276-D1278 PolarHBondContact O-N 3.29Å; D1278-A1280 PolarHBondContact O-N 2.9Å; D1278-R1281 WeakPolarHBondContact O-CB 3.35Å; D1278-R1281 PolarHBondContact O-N 3.29Å; D1278-R1281 IonicContact OD1-NH1 2.69Å; D1278-R1281 PolarHBondContact OD1-NH1 2.89Å; D1278-R1281 VanDerWaalsContact OD1-NH1 3.1Å; D1278-W1282 WeakPolarHBondContact O-CB 3.35Å; D1278-W1282 VanDerWaalsContact O-CD1 3.26Å; D1278-W1282 PolarHBondContact O-N 2.93Å
1279D91.2Very high89.9Confident42 Ų4268.8 Ų68.823%0.22534%0.343CS..Hα-helixtrans-53.1-53.3-179.1-62.724.3000111.1W1256 R1271 N1276 R1281 W1282 E1283W1256-D1279 HydrophobicContact CZ2-CB 4.31Å; R1271-D1279 IonicContact CZ-OD2 2.66Å; R1271-D1279 IonicContact NH2-OD2 2.81Å; R1271-D1279 PolarHBondContact NH2-OD2 3.44Å; N1276-D1279 PolarHBondContact O-N 3.17Å; D1279-R1281 VanDerWaalsContact C-N 3.33Å; D1279-R1281 PolarHBondContact O-N 2.95Å; D1279-W1282 PolarHBondContact O-N 2.79Å; D1279-E1283 WeakPolarHBondContact O-CB 3.39Å; D1279-E1283 PolarHBondContact O-N 2.83Å
1280A91.7Very high90.8Very high57 Ų5766.6 Ų66.647%0.47133%0.333SS..Hα-helixtrans-69.6-26.9178.700000113.7D1278 R1284D1278-A1280 PolarHBondContact O-N 2.9Å; A1280-R1284 WeakPolarHBondContact O-CD 3.29Å; A1280-R1284 VanDerWaalsContact O-CG 3.28Å; A1280-R1284 WeakPolarHBondContact O-CG 3.32Å; A1280-R1284 PolarHBondContact O-N 3.32Å
1281R93.9Very high91.3Very high104 Ų10467.1 Ų67.139%0.39234%0.337SS..Hα-helixtrans-72.3-45.6176.5169.8-176.4163.1-129.7-5.6110.9D1278 D1279 Y1285D1278-R1281 WeakPolarHBondContact O-CB 3.35Å; D1278-R1281 PolarHBondContact O-N 3.29Å; D1278-R1281 IonicContact OD1-NH1 2.69Å; D1278-R1281 PolarHBondContact OD1-NH1 2.89Å; D1278-R1281 VanDerWaalsContact OD1-NH1 3.1Å; D1279-R1281 VanDerWaalsContact C-N 3.33Å; D1279-R1281 PolarHBondContact O-N 2.95Å; R1281-Y1285 PolarHBondContact O-N 3.31Å; R1281-Y1285 VanDerWaalsContact O-N 3.08Å
1282W94.9Very high91.2Very high14 Ų1468.5 Ų68.55%0.05335%0.347CS..Hα-helixtrans-75.1-32-178.8-74.9125.1000112.8Q1251 Y1253 W1256 D1278 D1279 Y1285 R1286Q1251-W1282 WeakPolarHBondContact O-CH2 2.94Å; Y1253-W1282 HydrophobicContact CD2-CB 3.78Å; Y1253-W1282 AromaticContact CD2-CD2 4Å; Y1253-W1282 HydrophobicContact CD2-CD2 4Å; Y1253-W1282 AromaticContact CD2-CE3 3.72Å; Y1253-W1282 HydrophobicContact CD2-CE3 3.72Å; Y1253-W1282 HydrophobicContact CD2-CG 4.05Å; Y1253-W1282 HydrophobicContact CE2-CB 3.9Å; Y1253-W1282 HydrophobicContact CG-CE3 4.22Å; W1256-W1282 AromaticContact CD1-CD1 3.49Å; W1256-W1282 VanDerWaalsContact CD1-CD1 3.49Å; W1256-W1282 AromaticContact CD1-NE1 3.47Å; W1256-W1282 HydrophobicContact CD2-CB 4.16Å; W1256-W1282 AromaticContact CD2-CD1 3.31Å; W1256-W1282 AromaticContact CD2-CG 3.83Å; W1256-W1282 HydrophobicContact CD2-CG 3.83Å; W1256-W1282 AromaticContact CD2-NE1 3.93Å; W1256-W1282 AromaticContact CE2-CD1 3.45Å; W1256-W1282 VanDerWaalsContact CE2-CD1 3.45Å; W1256-W1282 HydrophobicContact CE3-CB 3.87Å; W1256-W1282 AromaticContact CE3-CD1 3.9Å; W1256-W1282 AromaticContact CE3-CG 3.96Å; W1256-W1282 HydrophobicContact CE3-CG 3.96Å; W1256-W1282 AromaticContact CG-CD1 3.36Å; W1256-W1282 HydrophobicContact CG-CG 4.12Å; W1256-W1282 AromaticContact CG-NE1 3.44Å; W1256-W1282 HydrophobicContact CH2-CB 4.21Å; W1256-W1282 HydrophobicContact CZ2-CB 4.48Å; W1256-W1282 HydrophobicContact CZ3-CB 3.89Å; W1256-W1282 HydrophobicContact CZ3-CG 4.44Å; W1256-W1282 AromaticContact NE1-CD1 3.52Å; W1256-W1282 AromaticContact NE1-NE1 3.94Å; D1278-W1282 WeakPolarHBondContact O-CB 3.35Å; D1278-W1282 VanDerWaalsContact O-CD1 3.26Å; D1278-W1282 PolarHBondContact O-N 2.93Å; D1279-W1282 PolarHBondContact O-N 2.79Å; W1282-Y1285 AromaticContact CE3-CD1 3.87Å; W1282-Y1285 HydrophobicContact CE3-CD1 3.87Å; W1282-Y1285 AromaticContact CE3-CG 3.92Å; W1282-Y1285 HydrophobicContact CE3-CG 3.92Å; W1282-Y1285 HydrophobicContact CZ3-CD1 4.02Å; W1282-Y1285 HydrophobicContact CZ3-CD2 4.39Å; W1282-Y1285 HydrophobicContact CZ3-CE1 4.39Å; W1282-Y1285 HydrophobicContact CZ3-CG 4.02Å; W1282-Y1285 WeakPolarHBondContact O-CB 3.31Å; W1282-Y1285 PolarHBondContact O-N 3.01Å; W1282-R1286 PolarHBondContact O-N 2.87Å
1283E92.9Very high90.9Very high63 Ų6367.8 Ų67.829%0.29434%0.344SS..Hα-helixtrans-62-49.3171.7-161.357.9-140.600111D1279 Y1285 R1286 E1287D1279-E1283 WeakPolarHBondContact O-CB 3.39Å; D1279-E1283 PolarHBondContact O-N 2.83Å; E1283-Y1285 VanDerWaalsContact C-N 3.29Å; E1283-Y1285 PolarHBondContact O-N 3.26Å; E1283-R1286 WeakPolarHBondContact O-CB 3.36Å; E1283-R1286 PolarHBondContact O-N 3.49Å; E1283-R1286 VanDerWaalsContact O-N 3.11Å; E1283-R1286 IonicContact OE1-CZ 2.8Å; E1283-R1286 IonicContact OE1-NE 3.18Å; E1283-R1286 PolarHBondContact OE1-NE 3.24Å; E1283-R1286 IonicContact OE1-NH2 2.7Å; E1283-R1286 PolarHBondContact OE1-NH2 2.94Å; E1283-R1286 IonicContact OE2-CZ 3.9Å; E1283-R1286 IonicContact OE2-NE 3.98Å; E1283-R1286 PolarHBondContact OE2-NE 2.83Å; E1283-R1286 IonicContact OE2-NH2 2.79Å; E1283-R1286 PolarHBondContact OE2-NH2 2.82Å; E1283-E1287 WeakPolarHBondContact O-CG 3.11Å; E1283-E1287 PolarHBondContact O-N 2.79Å
1284R93.8Very high90.5Very high179 Ų17971.5 Ų71.568%0.67536%0.364SS*.Hα-helixtrans-59.4-36.8174-72.2172.9-176.5169.32.3113.1A1280 K1288A1280-R1284 WeakPolarHBondContact O-CD 3.29Å; A1280-R1284 VanDerWaalsContact O-CG 3.28Å; A1280-R1284 WeakPolarHBondContact O-CG 3.32Å; A1280-R1284 PolarHBondContact O-N 3.32Å; R1284-K1288 WeakPolarHBondContact O-CB 3.19Å; R1284-K1288 PolarHBondContact O-N 2.69Å
1285Y93.2Very high90Very high100 Ų10074.5 Ų74.539%0.39239%0.39SS..Hα-helixtrans-62.3-46175.1171.6-93.2000111.1Y1253 R1281 W1282 E1283 W1289 L1309Y1253-Y1285 HydrophobicContact CD2-CD1 4.25Å; Y1253-Y1285 HydrophobicContact CG-CD1 4.01Å; Y1253-Y1285 HydrophobicContact CG-CE1 4.1Å; R1281-Y1285 PolarHBondContact O-N 3.31Å; R1281-Y1285 VanDerWaalsContact O-N 3.08Å; W1282-Y1285 AromaticContact CE3-CD1 3.87Å; W1282-Y1285 HydrophobicContact CE3-CD1 3.87Å; W1282-Y1285 AromaticContact CE3-CG 3.92Å; W1282-Y1285 HydrophobicContact CE3-CG 3.92Å; W1282-Y1285 HydrophobicContact CZ3-CD1 4.02Å; W1282-Y1285 HydrophobicContact CZ3-CD2 4.39Å; W1282-Y1285 HydrophobicContact CZ3-CE1 4.39Å; W1282-Y1285 HydrophobicContact CZ3-CG 4.02Å; W1282-Y1285 WeakPolarHBondContact O-CB 3.31Å; W1282-Y1285 PolarHBondContact O-N 3.01Å; E1283-Y1285 VanDerWaalsContact C-N 3.29Å; E1283-Y1285 PolarHBondContact O-N 3.26Å; Y1285-W1289 WeakPolarHBondContact O-CB 3.13Å; Y1285-W1289 PolarHBondContact O-N 2.94Å; Y1285-L1309 HydrophobicContact CD1-CD1 4.32Å; Y1285-L1309 HydrophobicContact CE1-CD1 3.85Å
1286R93Very high89.4Confident11 Ų1176.8 Ų76.84%0.04239%0.393CS..Hα-helixtrans-63.6-51.3175.4173.8-124.4-55.2-47.3-15.2112.3Y1253 W1282 E1283 K1288 W1289 N1290 L1309 P1310 T1311Y1253-R1286 VanDerWaalsContact OH-CZ 3.25Å; Y1253-R1286 PolarHBondContact OH-NH1 2.86Å; Y1253-R1286 PolarHBondContact OH-NH2 3.22Å; W1282-R1286 PolarHBondContact O-N 2.87Å; E1283-R1286 WeakPolarHBondContact O-CB 3.36Å; E1283-R1286 PolarHBondContact O-N 3.49Å; E1283-R1286 VanDerWaalsContact O-N 3.11Å; E1283-R1286 IonicContact OE1-CZ 2.8Å; E1283-R1286 IonicContact OE1-NE 3.18Å; E1283-R1286 PolarHBondContact OE1-NE 3.24Å; E1283-R1286 IonicContact OE1-NH2 2.7Å; E1283-R1286 PolarHBondContact OE1-NH2 2.94Å; E1283-R1286 IonicContact OE2-CZ 3.9Å; E1283-R1286 IonicContact OE2-NE 3.98Å; E1283-R1286 PolarHBondContact OE2-NE 2.83Å; E1283-R1286 IonicContact OE2-NH2 2.79Å; E1283-R1286 PolarHBondContact OE2-NH2 2.82Å; R1286-K1288 PolarHBondContact O-N 2.99Å; R1286-W1289 PolarHBondContact O-N 2.79Å; R1286-W1289 VanDerWaalsContact O-N 3.14Å; R1286-N1290 WeakPolarHBondContact O-CB 3.23Å; R1286-N1290 PolarHBondContact O-N 2.98Å; R1286-L1309 HydrophobicContact CB-CB 4.38Å; R1286-L1309 HydrophobicContact CG-CB 3.66Å; R1286-L1309 VanDerWaalsContact CG-O 3.29Å; R1286-L1309 WeakPolarHBondContact CG-O 3.34Å; R1286-L1309 PolarHBondContact NH1-O 3.42Å; R1286-P1310 PolarHBondContact NH1-O 3.25Å; R1286-T1311 VanDerWaalsContact NH1-CA 3.27Å
1287E94.1Very high88.7Confident116 Ų11676.8 Ų76.854%0.54240%0.399SS..Hα-helixtrans-54.5-45179.8-71.9176.1148.900110.6E1283 N1290 S1291E1283-E1287 WeakPolarHBondContact O-CG 3.11Å; E1283-E1287 PolarHBondContact O-N 2.79Å; E1287-N1290 PolarHBondContact O-N 2.9Å; E1287-S1291 WeakPolarHBondContact O-CB 3.18Å; E1287-S1291 PolarHBondContact O-N 3.33Å
1288K93Very high87.5Confident127 Ų12783.8 Ų83.855%0.55241%0.408SS*.Hα-helixtrans-61.2-50174.9-179.4178.2169.7-179.50112.3R1284 R1286 N1290 S1291 E1292R1284-K1288 WeakPolarHBondContact O-CB 3.19Å; R1284-K1288 PolarHBondContact O-N 2.69Å; R1286-K1288 PolarHBondContact O-N 2.99Å; K1288-N1290 VanDerWaalsContact C-N 3.34Å; K1288-N1290 PolarHBondContact O-N 3.35Å; K1288-S1291 WeakPolarHBondContact O-CB 3.2Å; K1288-S1291 PolarHBondContact O-N 3.28Å; K1288-E1292 WeakPolarHBondContact CE-OE1 3.35Å; K1288-E1292 IonicContact NZ-OE1 2.69Å; K1288-E1292 WeakPolarHBondContact O-CG 3.46Å; K1288-E1292 PolarHBondContact O-N 2.86Å
1289W90.8Very high86.1Confident73 Ų7389.6 Ų89.628%0.27744%0.439SS..Hα-helixtrans-56.8-47.3177.6178.1-82.1000111.8Y1285 R1286 S1291 E1292 I1293 R1307 L1309 I1323Y1285-W1289 WeakPolarHBondContact O-CB 3.13Å; Y1285-W1289 PolarHBondContact O-N 2.94Å; R1286-W1289 PolarHBondContact O-N 2.79Å; R1286-W1289 VanDerWaalsContact O-N 3.14Å; W1289-S1291 VanDerWaalsContact C-N 3.32Å; W1289-S1291 PolarHBondContact O-N 3.44Å; W1289-E1292 PolarHBondContact O-N 3.47Å; W1289-I1293 WeakPolarHBondContact O-CG1 3.5Å; W1289-I1293 PolarHBondContact O-N 2.59Å; W1289-R1307 PolarHBondContact NE1-O 3.02Å; W1289-L1309 HydrophobicContact CB-CD1 3.9Å; W1289-L1309 HydrophobicContact CD2-CD1 4.12Å; W1289-L1309 HydrophobicContact CG-CD1 3.63Å; W1289-L1309 HydrophobicContact CG-CG 4.13Å; W1289-I1323 HydrophobicContact CH2-CG2 4.01Å; W1289-I1323 HydrophobicContact CZ2-CG2 3.77Å
1290N90.9Very high84.3Confident27 Ų2797.9 Ų97.914%0.14447%0.467CS..Hα-helixtrans-63.7-38.4179.2-71.6-11.9000111.6R1286 E1287 K1288 I1293 D1294 K1308 L1309R1286-N1290 WeakPolarHBondContact O-CB 3.23Å; R1286-N1290 PolarHBondContact O-N 2.98Å; E1287-N1290 PolarHBondContact O-N 2.9Å; K1288-N1290 VanDerWaalsContact C-N 3.34Å; K1288-N1290 PolarHBondContact O-N 3.35Å; N1290-I1293 PolarHBondContact O-N 3.49Å; N1290-D1294 WeakPolarHBondContact O-CB 3.32Å; N1290-D1294 PolarHBondContact O-N 3.02Å; N1290-K1308 VanDerWaalsContact OD1-CA 3.27Å; N1290-K1308 WeakPolarHBondContact OD1-CA 3.18Å; N1290-K1308 WeakPolarHBondContact OD1-CB 3.48Å; N1290-L1309 PolarHBondContact ND2-O 3.2Å; N1290-L1309 PolarHBondContact OD1-N 2.98Å
1291S90.2Very high82.3Confident76 Ų76100.8 Ų100.853%0.53148%0.479SS..Hα-helixtrans-65.7-40173.8-173.20000112.8E1287 K1288 W1289 D1294 A1295E1287-S1291 WeakPolarHBondContact O-CB 3.18Å; E1287-S1291 PolarHBondContact O-N 3.33Å; K1288-S1291 WeakPolarHBondContact O-CB 3.2Å; K1288-S1291 PolarHBondContact O-N 3.28Å; W1289-S1291 VanDerWaalsContact C-N 3.32Å; W1289-S1291 PolarHBondContact O-N 3.44Å; S1291-D1294 PolarHBondContact O-N 2.64Å; S1291-A1295 WeakPolarHBondContact O-CB 3.48Å; S1291-A1295 PolarHBondContact O-N 2.7Å
1292E87.4Confident80.3Confident104 Ų104101.2 Ų101.249%0.48650%0.498SS..Hα-helixtrans-64.5-42175.2-73.2175.7169.200111.4K1288 W1289 A1295 E1296K1288-E1292 WeakPolarHBondContact CE-OE1 3.35Å; K1288-E1292 IonicContact NZ-OE1 2.69Å; K1288-E1292 WeakPolarHBondContact O-CG 3.46Å; K1288-E1292 PolarHBondContact O-N 2.86Å; W1289-E1292 PolarHBondContact O-N 3.47Å; E1292-A1295 PolarHBondContact O-N 2.92Å; E1292-E1296 PolarHBondContact O-N 3.33Å; E1292-E1296 VanDerWaalsContact O-N 3.15Å
1293I82.9Confident78.4Confident19 Ų19105.4 Ų105.410%0.09752%0.521CS..Hα-helixtrans-65.6-37.1174-66.6-66.3000112.5W1289 N1290 K1304 R1307 K1308W1289-I1293 WeakPolarHBondContact O-CG1 3.5Å; W1289-I1293 PolarHBondContact O-N 2.59Å; N1290-I1293 PolarHBondContact O-N 3.49Å; I1293-K1304 PolarHBondContact O-NZ 2.83Å; I1293-R1307 HydrophobicContact CD1-CB 4.27Å; I1293-R1307 HydrophobicContact CG2-CB 4.33Å; I1293-K1308 HydrophobicContact CG2-CG 4.49Å
1294D83.3Confident76.3Confident94 Ų94105 Ų10550%0.50352%0.519SS..Hα-helixtrans-68.7-35.8174.8-80.1-35.4000112.1N1290 S1291 K1308N1290-D1294 WeakPolarHBondContact O-CB 3.32Å; N1290-D1294 PolarHBondContact O-N 3.02Å; S1291-D1294 PolarHBondContact O-N 2.64Å; D1294-K1308 WeakPolarHBondContact OD1-CE 3.36Å; D1294-K1308 IonicContact OD1-NZ 3.67Å; D1294-K1308 PolarHBondContact OD1-NZ 3.5Å; D1294-K1308 WeakPolarHBondContact OD2-CE 3.31Å; D1294-K1308 IonicContact OD2-NZ 2.67Å; D1294-K1308 PolarHBondContact OD2-NZ 2.86Å
1295A83.5Confident74.2Confident79 Ų79102.4 Ų102.465%0.65352%0.523SS*.Hα-helixtrans-72.7-21.7177.100000114.2S1291 E1292S1291-A1295 WeakPolarHBondContact O-CB 3.48Å; S1291-A1295 PolarHBondContact O-N 2.7Å; E1292-A1295 PolarHBondContact O-N 2.92Å
1296E76.2Confident72.3Confident97 Ų97102 Ų10245%0.45353%0.534SS..SBendtrans-58.5129.4176.1-75.6-158.5135.900111.5E1292 R1298 K1304E1292-E1296 PolarHBondContact O-N 3.33Å; E1292-E1296 VanDerWaalsContact O-N 3.15Å; E1296-R1298 PolarHBondContact O-N 2.95Å; E1296-K1304 PolarHBondContact O-NZ 3.14Å
1297P70.9Confident71.4Confident108 Ų108108.7 Ų108.770%0.70156%0.559SS**  trans-60.1130.2-174.822.3-32.7000112N1299P1297-N1299 PolarHBondContact O-N 3.47Å
1298R61.1Low70.9Confident229 Ų229107 Ų10786%0.86455%0.551SS**THydrogen-bonded Turntrans-57.7-9.9-170.2-68-178.3177.9175.7-1.6116.2E1296 R1300E1296-R1298 PolarHBondContact O-N 2.95Å; R1298-R1300 PolarHBondContact O-N 3.21Å
1299N58.9Low70.6Confident163 Ų163101.3 Ų101.387%0.87253%0.526SS*.THydrogen-bonded Turntrans-77.28.1-176.8-69-0.5000114.6P1297P1297-N1299 PolarHBondContact O-N 3.47Å
1300R54Low70.4Confident215 Ų215100.2 Ų100.281%0.81153%0.528SS*.SBendtrans-120.991.7171.6-73.9-171.4177.4-171.80.1112.6R1298R1298-R1300 PolarHBondContact O-N 3.21Å
1301V48.8Very low70.4Confident118 Ų118101.7 Ų101.772%0.71554%0.538SS*.  trans69.3145.2152.9-168.70000116.8D1303V1301-D1303 VanDerWaalsContact C-N 3.34Å; V1301-D1303 PolarHBondContact O-N 3.28Å
1302S53.6Low70.4Confident113 Ų11399.6 Ų99.679%0.7952%0.519SS*.SBendtrans-76.82.7-164.244.60000117.3
1303D55Low70.5Confident102 Ų10297.7 Ų97.755%0.54551%0.509SS..  trans-98.926.6-170.3-91.9-30.6000114.9V1301 T1305 S1306V1301-D1303 VanDerWaalsContact C-N 3.34Å; V1301-D1303 PolarHBondContact O-N 3.28Å; D1303-T1305 VanDerWaalsContact C-N 3.26Å; D1303-T1305 PolarHBondContact O-N 2.95Å; D1303-S1306 PolarHBondContact O-N 3.48Å
1304K48.5Very low70.6Confident56 Ų56101 Ų10124%0.24352%0.524CS..G310 helixtrans-60.4-29.3-175.4-80-154.1169.6-144.90114.7I1293 E1296 S1306 R1307I1293-K1304 PolarHBondContact O-NZ 2.83Å; E1296-K1304 PolarHBondContact O-NZ 3.14Å; K1304-S1306 VanDerWaalsContact C-N 3.31Å; K1304-S1306 PolarHBondContact O-N 3.22Å; K1304-R1307 PolarHBondContact O-N 2.86Å
1305T48.1Very low70.6Confident124 Ų12496.6 Ų96.676%0.76150%0.5SS*.G310 helixtrans-66-32.2-179.139.80000113D1303 R1307D1303-T1305 VanDerWaalsContact C-N 3.26Å; D1303-T1305 PolarHBondContact O-N 2.95Å; T1305-R1307 VanDerWaalsContact C-N 3.27Å; T1305-R1307 PolarHBondContact O-N 2.71Å
1306S55.1Low70.6Confident91 Ų9192.8 Ų92.864%0.63647%0.469SS*.G310 helixtrans-79-4.3-175.9-51.80000114.3D1303 K1304D1303-S1306 PolarHBondContact O-N 3.48Å; K1304-S1306 VanDerWaalsContact C-N 3.31Å; K1304-S1306 PolarHBondContact O-N 3.22Å
1307R72.9Confident71.1Confident151 Ų15188.2 Ų88.257%0.5745%0.448SS*.G310 helixtrans-107.3-9.2-176.1-66.9-172.3179.3-177.3-1.7115.5W1289 I1293 K1304 T1305W1289-R1307 PolarHBondContact NE1-O 3.02Å; I1293-R1307 HydrophobicContact CD1-CB 4.27Å; I1293-R1307 HydrophobicContact CG2-CB 4.33Å; K1304-R1307 PolarHBondContact O-N 2.86Å; T1305-R1307 VanDerWaalsContact C-N 3.27Å; T1305-R1307 PolarHBondContact O-N 2.71Å
1308K83.6Confident71.6Confident82 Ų8287.9 Ų87.936%0.35743%0.432SS..SBendtrans-75.8138.9174.1-67.6-161.7-178.3-165.70109.8N1290 I1293 D1294 P1310N1290-K1308 VanDerWaalsContact OD1-CA 3.27Å; N1290-K1308 WeakPolarHBondContact OD1-CA 3.18Å; N1290-K1308 WeakPolarHBondContact OD1-CB 3.48Å; I1293-K1308 HydrophobicContact CG2-CG 4.49Å; D1294-K1308 WeakPolarHBondContact OD1-CE 3.36Å; D1294-K1308 IonicContact OD1-NZ 3.67Å; D1294-K1308 PolarHBondContact OD1-NZ 3.5Å; D1294-K1308 WeakPolarHBondContact OD2-CE 3.31Å; D1294-K1308 IonicContact OD2-NZ 2.67Å; D1294-K1308 PolarHBondContact OD2-NZ 2.86Å; K1308-P1310 WeakPolarHBondContact O-CD 3.38Å
1309L87.1Confident72Confident7 Ų780.8 Ų80.84%0.03742%0.415CS..  trans-77.6107.7174.8-75.4174.3000110.2Y1253 Y1285 R1286 W1289 N1290 I1323Y1253-L1309 HydrophobicContact CD1-CD1 3.84Å; Y1253-L1309 HydrophobicContact CD1-CD2 3.81Å; Y1253-L1309 HydrophobicContact CD1-CG 4.3Å; Y1253-L1309 HydrophobicContact CE1-CB 4.19Å; Y1253-L1309 HydrophobicContact CE1-CD1 4.23Å; Y1253-L1309 HydrophobicContact CE1-CD2 4.05Å; Y1253-L1309 HydrophobicContact CE1-CG 4.4Å; Y1285-L1309 HydrophobicContact CD1-CD1 4.32Å; Y1285-L1309 HydrophobicContact CE1-CD1 3.85Å; R1286-L1309 HydrophobicContact CB-CB 4.38Å; R1286-L1309 HydrophobicContact CG-CB 3.66Å; R1286-L1309 VanDerWaalsContact CG-O 3.29Å; R1286-L1309 WeakPolarHBondContact CG-O 3.34Å; R1286-L1309 PolarHBondContact NH1-O 3.42Å; W1289-L1309 HydrophobicContact CB-CD1 3.9Å; W1289-L1309 HydrophobicContact CD2-CD1 4.12Å; W1289-L1309 HydrophobicContact CG-CD1 3.63Å; W1289-L1309 HydrophobicContact CG-CG 4.13Å; N1290-L1309 PolarHBondContact ND2-O 3.2Å; N1290-L1309 PolarHBondContact OD1-N 2.98Å; L1309-I1323 HydrophobicContact CD2-CD1 3.41Å; L1309-I1323 VanDerWaalsContact CD2-CD1 3.41Å
1310P87.4Confident72.4Confident49 Ų4978.4 Ų78.432%0.31840%0.402SS..  trans-70.3161.8174.6-13.232.4000110.8Y1253 R1286 K1308 E1314 L1315Y1253-P1310 PolarHBondContact OH-O 3.01Å; R1286-P1310 PolarHBondContact NH1-O 3.25Å; K1308-P1310 WeakPolarHBondContact O-CD 3.38Å; P1310-E1314 HydrophobicContact CB-CB 3.77Å; P1310-L1315 HydrophobicContact CG-CD1 4.41Å
1311T90.2Very high72.7Confident58 Ų5870.2 Ų70.236%0.35637%0.374SS..  trans-52.3154.9-178.565.70000111.6R1286 K1313 E1314 L1315R1286-T1311 VanDerWaalsContact NH1-CA 3.27Å; T1311-K1313 PolarHBondContact O-N 3.32Å; T1311-K1313 VanDerWaalsContact O-N 3.15Å; T1311-E1314 VanDerWaalsContact CB-OE2 3.3Å; T1311-E1314 WeakPolarHBondContact CB-OE2 3.49Å; T1311-E1314 WeakPolarHBondContact CG2-OE2 3.24Å; T1311-E1314 PolarHBondContact N-OE2 3.32Å; T1311-E1314 WeakPolarHBondContact O-CA 3.1Å; T1311-E1314 PolarHBondContact O-N 3.07Å; T1311-E1314 VanDerWaalsContact OG1-CG 3.27Å; T1311-E1314 WeakPolarHBondContact OG1-CG 3.47Å; T1311-E1314 PolarHBondContact OG1-N 3.18Å; T1311-E1314 PolarHBondContact OG1-OE2 2.75Å; T1311-L1315 WeakPolarHBondContact O-CB 3.37Å; T1311-L1315 PolarHBondContact O-N 3.31Å
1312W90.5Very high72.9Confident32 Ų3269.8 Ų69.812%0.12138%0.376CS..Hα-helixtrans-58.5-33-178.875.4-98.8000111.9L1120 Y1253 W1256 C1257 R1260 R1261 A1264 E1314 A1316L1120-W1312 HydrophobicContact CD2-CH2 3.97Å; L1120-W1312 HydrophobicContact CD2-CZ3 3.76Å; Y1253-W1312 PolarHBondContact OH-N 2.81Å; W1256-W1312 HydrophobicContact CE3-CB 4.4Å; W1256-W1312 HydrophobicContact CH2-CB 4.39Å; W1256-W1312 HydrophobicContact CH2-CG 4.31Å; W1256-W1312 HydrophobicContact CZ3-CB 3.73Å; W1256-W1312 HydrophobicContact CZ3-CG 4.12Å; C1257-W1312 HydrophobicContact CB-CB 3.97Å; C1257-W1312 VanDerWaalsContact SG-CA 3.59Å; C1257-W1312 WeakPolarHBondContact SG-CB 3.16Å; R1260-W1312 HydrophobicContact CB-CD2 3.98Å; R1260-W1312 HydrophobicContact CB-CE3 3.58Å; R1260-W1312 HydrophobicContact CB-CH2 4.48Å; R1260-W1312 HydrophobicContact CB-CZ3 3.86Å; R1261-W1312 HydrophobicContact CB-CZ3 4.45Å; A1264-W1312 HydrophobicContact CB-CH2 4.16Å; W1312-E1314 VanDerWaalsContact C-N 3.31Å; W1312-E1314 PolarHBondContact O-N 2.86Å; W1312-A1316 WeakPolarHBondContact O-CB 3.33Å; W1312-A1316 PolarHBondContact O-N 3.48Å; W1312-A1316 VanDerWaalsContact O-N 3.11Å
1313K89.1Confident72.7Confident65 Ų6571 Ų7128%0.28337%0.372SS..Hα-helixtrans-60.7-37.9173.5-64.8-157171-157.90112.2M1118 G1119 L1120 P1121 E1269 T1311M1118-K1313 PolarHBondContact O-NZ 3.15Å; G1119-K1313 WeakPolarHBondContact O-CD 3.28Å; L1120-K1313 HydrophobicContact CD2-CB 3.8Å; L1120-K1313 HydrophobicContact CD2-CD 4.04Å; L1120-K1313 HydrophobicContact CD2-CG 3.72Å; P1121-K1313 WeakPolarHBondContact CD-O 3.35Å; P1121-K1313 WeakPolarHBondContact CG-O 3.5Å; E1269-K1313 IonicContact OE1-NZ 2.91Å; T1311-K1313 PolarHBondContact O-N 3.32Å; T1311-K1313 VanDerWaalsContact O-N 3.15Å
1314E84.9Confident73.6Confident87 Ų8769.5 Ų69.541%0.40736%0.363SS..Hα-helixtrans-83.2-38.1180-67.3162.4134.600113.5P1310 T1311 W1312 R1318P1310-E1314 HydrophobicContact CB-CB 3.77Å; T1311-E1314 VanDerWaalsContact CB-OE2 3.3Å; T1311-E1314 WeakPolarHBondContact CB-OE2 3.49Å; T1311-E1314 WeakPolarHBondContact CG2-OE2 3.24Å; T1311-E1314 PolarHBondContact N-OE2 3.32Å; T1311-E1314 WeakPolarHBondContact O-CA 3.1Å; T1311-E1314 PolarHBondContact O-N 3.07Å; T1311-E1314 VanDerWaalsContact OG1-CG 3.27Å; T1311-E1314 WeakPolarHBondContact OG1-CG 3.47Å; T1311-E1314 PolarHBondContact OG1-N 3.18Å; T1311-E1314 PolarHBondContact OG1-OE2 2.75Å; W1312-E1314 VanDerWaalsContact C-N 3.31Å; W1312-E1314 PolarHBondContact O-N 2.86Å; E1314-R1318 WeakPolarHBondContact O-CD 3.31Å; E1314-R1318 PolarHBondContact O-NE 3.29Å
1315L84Confident74.9Confident2 Ų270.2 Ų70.21%0.0137%0.37CS..Hα-helixtrans-79.3-34.1-173.8-171.589.8000113.1Y1253 I1254 C1257 P1310 T1311 W1317 R1318 I1321Y1253-L1315 HydrophobicContact CD1-CD2 4.09Å; Y1253-L1315 HydrophobicContact CE1-CD2 3.75Å; I1254-L1315 HydrophobicContact CB-CD2 4.31Å; I1254-L1315 HydrophobicContact CG1-CD2 4.33Å; I1254-L1315 HydrophobicContact CG2-CD2 4.05Å; C1257-L1315 HydrophobicContact CB-CD2 3.96Å; P1310-L1315 HydrophobicContact CG-CD1 4.41Å; T1311-L1315 WeakPolarHBondContact O-CB 3.37Å; T1311-L1315 PolarHBondContact O-N 3.31Å; L1315-W1317 PolarHBondContact O-N 3.43Å; L1315-R1318 WeakPolarHBondContact O-CB 3.39Å; L1315-R1318 PolarHBondContact O-N 3Å; L1315-I1321 HydrophobicContact CD1-CD1 3.33Å; L1315-I1321 HydrophobicContact CD1-CG1 3.99Å; L1315-I1321 HydrophobicContact CD1-CG2 4.38Å; L1315-I1321 HydrophobicContact CG-CD1 3.63Å; L1315-I1321 WeakPolarHBondContact O-CD1 3.42Å
1316A83.5Confident76.4Confident0 Ų067.2 Ų67.20%035%0.348CS..THydrogen-bonded Turntrans-65.2132.6-169.200000113.2C1257 R1261 W1312 R1318C1257-A1316 HydrophobicContact CB-CB 4.11Å; C1257-A1316 WeakPolarHBondContact O-CB 3.3Å; R1261-A1316 HydrophobicContact CB-CB 3.44Å; R1261-A1316 VanDerWaalsContact CB-CB 3.44Å; R1261-A1316 HydrophobicContact CG-CB 4.14Å; W1312-A1316 WeakPolarHBondContact O-CB 3.33Å; W1312-A1316 PolarHBondContact O-N 3.48Å; W1312-A1316 VanDerWaalsContact O-N 3.11Å; A1316-R1318 PolarHBondContact O-N 3.3Å
1317W86.5Confident77.7Confident1 Ų165.8 Ų65.80%0.00433%0.331CS..THydrogen-bonded Turntrans58.324.3-175-52.4-8.3000115P1110 V1123 V1127 A1128 F1131 D1258 R1261 L1262 T1265 L1315P1110-W1317 HydrophobicContact CB-CH2 3.76Å; P1110-W1317 HydrophobicContact CB-CZ3 4.46Å; P1110-W1317 HydrophobicContact CG-CH2 3.79Å; P1110-W1317 HydrophobicContact CG-CZ2 4.26Å; V1123-W1317 HydrophobicContact CG2-CE3 4.11Å; V1127-W1317 HydrophobicContact CG1-CB 4.46Å; V1127-W1317 WeakPolarHBondContact CG1-O 3.12Å; A1128-W1317 HydrophobicContact CB-CE3 4.37Å; A1128-W1317 HydrophobicContact CB-CZ3 4.34Å; F1131-W1317 HydrophobicContact CB-CD2 4.01Å; F1131-W1317 HydrophobicContact CB-CG 3.96Å; F1131-W1317 HydrophobicContact CB-CZ2 4.43Å; F1131-W1317 AromaticContact CD1-CD1 3.8Å; F1131-W1317 HydrophobicContact CD2-CB 3.78Å; F1131-W1317 AromaticContact CD2-CD1 3.71Å; F1131-W1317 HydrophobicContact CD2-CD2 4.44Å; F1131-W1317 AromaticContact CD2-CG 3.7Å; F1131-W1317 HydrophobicContact CD2-CG 3.7Å; F1131-W1317 HydrophobicContact CE2-CB 4.06Å; F1131-W1317 HydrophobicContact CE2-CG 4.36Å; F1131-W1317 HydrophobicContact CG-CB 4.4Å; F1131-W1317 AromaticContact CG-CD1 3.41Å; F1131-W1317 VanDerWaalsContact CG-CD1 3.41Å; F1131-W1317 HydrophobicContact CG-CD2 4.4Å; F1131-W1317 AromaticContact CG-CG 3.83Å; F1131-W1317 HydrophobicContact CG-CG 3.83Å; F1131-W1317 AromaticContact CG-NE1 3.82Å; D1258-W1317 PolarHBondContact O-NE1 3.18Å; D1258-W1317 PolarHBondContact OD1-N 2.92Å; R1261-W1317 HydrophobicContact CB-CZ2 4.41Å; R1261-W1317 VanDerWaalsContact CD-CD2 3.45Å; R1261-W1317 HydrophobicContact CG-CD2 3.87Å; R1261-W1317 HydrophobicContact CG-CE3 4.13Å; R1261-W1317 HydrophobicContact CG-CG 4.37Å; R1261-W1317 HydrophobicContact CG-CH2 4.14Å; R1261-W1317 HydrophobicContact CG-CZ2 3.91Å; R1261-W1317 HydrophobicContact CG-CZ3 4.26Å; L1262-W1317 HydrophobicContact CB-CZ2 4.1Å; L1262-W1317 HydrophobicContact CD1-CZ2 4.19Å; T1265-W1317 HydrophobicContact CG2-CH2 4.48Å; L1315-W1317 PolarHBondContact O-N 3.43Å
1318R80.6Confident78Confident101 Ų10160.4 Ų60.438%0.38132%0.316SS..  trans-82.3137165.5-83.2-165.5-164.9-144.25112.3R1074 E1314 L1315 A1316 D1320 I1321R1074-R1318 PolarHBondContact NH1-O 3.39Å; R1074-R1318 PolarHBondContact NH2-O 3.16Å; E1314-R1318 WeakPolarHBondContact O-CD 3.31Å; E1314-R1318 PolarHBondContact O-NE 3.29Å; L1315-R1318 WeakPolarHBondContact O-CB 3.39Å; L1315-R1318 PolarHBondContact O-N 3Å; A1316-R1318 PolarHBondContact O-N 3.3Å; R1318-D1320 VanDerWaalsContact CB-OD1 3.31Å; R1318-D1320 WeakPolarHBondContact CB-OD1 3.38Å; R1318-D1320 IonicContact NH1-OD2 3.59Å; R1318-I1321 HydrophobicContact CB-CD1 3.46Å; R1318-I1321 VanDerWaalsContact CB-CD1 3.46Å; R1318-I1321 HydrophobicContact CB-CG1 4.03Å
1319T70.4Confident77.6Confident80 Ų8059 Ų5949%0.49131%0.313SS..SBendtrans-96.1-15.7-179.552.80000114.5V1127 I1321V1127-T1319 HydrophobicContact CB-CG2 4.46Å; V1127-T1319 HydrophobicContact CG1-CG2 3.88Å; V1127-T1319 HydrophobicContact CG2-CG2 3.85Å; T1319-I1321 VanDerWaalsContact C-N 3.28Å; T1319-I1321 PolarHBondContact O-N 3.22Å
1320D66.3Low76.9Confident113 Ų11362.7 Ų62.760%0.60433%0.333SS*.SBendtrans-79.7-3.5-177.454.2-44.2000114.1R1318 S1322R1318-D1320 VanDerWaalsContact CB-OD1 3.31Å; R1318-D1320 WeakPolarHBondContact CB-OD1 3.38Å; R1318-D1320 IonicContact NH1-OD2 3.59Å; D1320-S1322 PolarHBondContact O-N 3.43Å
1321I61.1Low76.1Confident42 Ų4263.8 Ų63.822%0.21533%0.334CS..  trans-84.9106.9-178.8-55.7152.3000110.6I1254 L1315 R1318 T1319 I1323I1254-I1321 HydrophobicContact CD1-CG2 4.36Å; L1315-I1321 HydrophobicContact CD1-CD1 3.33Å; L1315-I1321 HydrophobicContact CD1-CG1 3.99Å; L1315-I1321 HydrophobicContact CD1-CG2 4.38Å; L1315-I1321 HydrophobicContact CG-CD1 3.63Å; L1315-I1321 WeakPolarHBondContact O-CD1 3.42Å; R1318-I1321 HydrophobicContact CB-CD1 3.46Å; R1318-I1321 VanDerWaalsContact CB-CD1 3.46Å; R1318-I1321 HydrophobicContact CB-CG1 4.03Å; T1319-I1321 VanDerWaalsContact C-N 3.28Å; T1319-I1321 PolarHBondContact O-N 3.22Å; I1321-I1323 HydrophobicContact CG2-CD1 4.22Å; I1321-I1323 HydrophobicContact CG2-CG1 3.63Å
1322S53.4Low74.9Confident109 Ų10964.3 Ų64.376%0.76233%0.333SS*.  trans-103.7120.4151.661.10000108.8D1320D1320-S1322 PolarHBondContact O-N 3.43Å
1323I48.9Very low73.5Confident139 Ų13967.2 Ų67.271%0.71335%0.352SS*.  trans-97.40167.6-53-162.7000108.5I1254 W1289 L1309 I1321I1254-I1323 HydrophobicContact CD1-CD1 3.58Å; I1254-I1323 HydrophobicContact CD1-CG1 3.86Å; I1254-I1323 HydrophobicContact CG1-CD1 3.94Å; W1289-I1323 HydrophobicContact CH2-CG2 4.01Å; W1289-I1323 HydrophobicContact CZ2-CG2 3.77Å; L1309-I1323 HydrophobicContact CD2-CD1 3.41Å; L1309-I1323 VanDerWaalsContact CD2-CD1 3.41Å; I1321-I1323 HydrophobicContact CG2-CD1 4.22Å; I1321-I1323 HydrophobicContact CG2-CG1 3.63Å

Retrieved 1,323 of 1,323 residues in 243.9 ms (Link to these results)

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