G4VJL9_SCHMA Loading...

Putative carcinoma associated protein hoj-1

AlphaFold DB , UniProt , Accession G4VJL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 349 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
1M88.7Confident91.4Very high77 Ų7765.1 Ų65.138%0.37937%0.367SS..  0143.70-178.2-167.378.500106.3I3 G16 I17 I59 I60 I63M1-I3 HydrophobicContact CE-CG2 3.71Å; M1-G16 PolarHBondContact O-N 3Å; M1-I17 HydrophobicContact CE-CB 4.3Å; M1-I17 HydrophobicContact CE-CG2 3.88Å; M1-I17 PolarHBondContact N-O 2.74Å; M1-I17 WeakPolarHBondContact O-CA 3.36Å; M1-I17 VanDerWaalsContact O-CB 3.25Å; M1-I17 WeakPolarHBondContact O-CB 3.46Å; M1-I17 PolarHBondContact O-N 3.36Å; M1-I59 HydrophobicContact CE-CG2 4.18Å; M1-I60 HydrophobicContact CB-CD1 4.37Å; M1-I60 HydrophobicContact CE-CD1 4.3Å; M1-I60 HydrophobicContact CE-CG1 3.73Å; M1-I60 HydrophobicContact SD-CD1 4.28Å; M1-I60 HydrophobicContact SD-CG1 4.09Å; M1-I63 HydrophobicContact CE-CD1 3.49Å; M1-I63 VanDerWaalsContact CE-CD1 3.49Å; M1-I63 HydrophobicContact SD-CD1 4.02Å
2D90.9Very high91.5Very high83 Ų8368.8 Ų68.844%0.44437%0.371SS..  trans-122141.6-173.5-52.7-16.2000108.6V14 C15 G16D2-V14 WeakPolarHBondContact CA-O 3.38Å; D2-C15 VanDerWaalsContact OD1-CA 3.26Å; D2-C15 WeakPolarHBondContact OD1-CA 3.48Å; D2-G16 PolarHBondContact OD1-N 2.98Å
3I92.4Very high91.5Very high8 Ų872.9 Ų72.94%0.04139%0.387CS..EExtended strand (participates in β ladder)trans-126.7160-179.971.7178.8000111.4M1 V5 E13 V14 I17 I59 I63 F75M1-I3 HydrophobicContact CE-CG2 3.71Å; I3-V5 HydrophobicContact CD1-CG2 3.77Å; I3-V5 HydrophobicContact CG1-CG2 3.84Å; I3-E13 WeakPolarHBondContact O-CA 3.29Å; I3-V14 HydrophobicContact CG1-CB 4.07Å; I3-V14 PolarHBondContact N-O 3Å; I3-V14 VanDerWaalsContact N-O 3.11Å; I3-V14 PolarHBondContact O-N 3.17Å; I3-I17 HydrophobicContact CB-CD1 4.11Å; I3-I17 HydrophobicContact CD1-CD1 3.48Å; I3-I17 VanDerWaalsContact CD1-CD1 3.48Å; I3-I17 HydrophobicContact CG1-CD1 3.43Å; I3-I17 VanDerWaalsContact CG1-CD1 3.43Å; I3-I17 HydrophobicContact CG2-CD1 3.79Å; I3-I59 HydrophobicContact CD1-CD1 4.19Å; I3-I59 HydrophobicContact CD1-CG2 4.21Å; I3-I59 HydrophobicContact CG2-CG2 4.3Å; I3-I63 HydrophobicContact CG2-CD1 4.27Å; I3-F75 HydrophobicContact CB-CD2 3.96Å; I3-F75 HydrophobicContact CB-CE2 3.92Å; I3-F75 HydrophobicContact CD1-CD2 3.78Å; I3-F75 HydrophobicContact CD1-CE2 4.02Å; I3-F75 HydrophobicContact CD1-CG 4.1Å; I3-F75 HydrophobicContact CG1-CD2 4.24Å; I3-F75 HydrophobicContact CG1-CE2 4.5Å; I3-F75 HydrophobicContact CG2-CD2 4.41Å; I3-F75 HydrophobicContact CG2-CE2 3.86Å
4K92.9Very high91.5Very high115 Ų11569.7 Ų69.750%0.537%0.371SS..EExtended strand (participates in β ladder)trans-105.2124.5174.1-66.3173.5178.8176.90110L11 R12 F75K4-L11 HydrophobicContact CB-CD1 4.03Å; K4-L11 HydrophobicContact CB-CD2 4.46Å; K4-L11 HydrophobicContact CB-CG 4.3Å; K4-L11 HydrophobicContact CD-CD2 4.28Å; K4-R12 CarbonylContact C-O 3.51Å; K4-R12 WeakPolarHBondContact CA-O 3.49Å; K4-F75 PolarHBondContact O-N 3.4Å
5V94.7Very high91.6Very high0 Ų070.9 Ų70.90%039%0.386CS..EExtended strand (participates in β ladder)trans-120.6123.3-179.9-165.90000109.9I3 I7 R12 V14 L30 L42 F75 L77I3-V5 HydrophobicContact CD1-CG2 3.77Å; I3-V5 HydrophobicContact CG1-CG2 3.84Å; V5-I7 HydrophobicContact CG1-CG1 4.41Å; V5-R12 PolarHBondContact N-O 3.45Å; V5-R12 PolarHBondContact O-N 3.17Å; V5-V14 HydrophobicContact CG2-CG2 3.89Å; V5-L30 HydrophobicContact CB-CD1 3.89Å; V5-L30 HydrophobicContact CG1-CD1 3.66Å; V5-L30 HydrophobicContact CG2-CD1 3.92Å; V5-L42 HydrophobicContact CG1-CD1 3.74Å; V5-F75 CarbonylContact C-O 3.57Å; V5-F75 VanDerWaalsContact CA-O 3.31Å; V5-F75 WeakPolarHBondContact CA-O 3.27Å; V5-F75 HydrophobicContact CB-CB 4.37Å; V5-F75 HydrophobicContact CG1-CB 4.13Å; V5-F75 HydrophobicContact CG2-CB 4.04Å; V5-L77 HydrophobicContact CG1-CB 4.22Å
6N94.1Very high91.6Very high45 Ų4569.9 Ų69.924%0.24140%0.397CS..EExtended strand (participates in β ladder)trans-84.1125.5173.9-175.12.5000109.7G9 V10 L11 F75 I76 L77N6-G9 WeakPolarHBondContact OD1-CA 3.47Å; N6-G9 PolarHBondContact OD1-N 3.1Å; N6-V10 PolarHBondContact OD1-N 3.47Å; N6-L11 HydrophobicContact CB-CD1 4.22Å; N6-F75 PolarHBondContact N-O 3.35Å; N6-I76 HydrophobicContact CB-CG1 4.35Å; N6-I76 WeakPolarHBondContact O-CA 3.4Å; N6-L77 PolarHBondContact O-N 2.97Å
7I93.5Very high91.7Very high9 Ų966.2 Ų66.25%0.04638%0.375CS..EExtended strand (participates in β ladder)trans-126.1109.9178.8-51.4-174.6000107.6V5 G9 V10 R12 L30 L36 L77V5-I7 HydrophobicContact CG1-CG1 4.41Å; I7-G9 PolarHBondContact O-N 2.79Å; I7-G9 VanDerWaalsContact O-N 3.09Å; I7-V10 PolarHBondContact N-O 3.42Å; I7-V10 WeakPolarHBondContact O-CB 3.47Å; I7-V10 PolarHBondContact O-N 3.3Å; I7-R12 HydrophobicContact CD1-CG 4.48Å; I7-L30 HydrophobicContact CD1-CB 4.1Å; I7-L30 HydrophobicContact CD1-CD1 4.2Å; I7-L30 HydrophobicContact CD1-CD2 3.96Å; I7-L30 HydrophobicContact CD1-CG 4.32Å; I7-L36 HydrophobicContact CG2-CD1 3.57Å; I7-L77 HydrophobicContact CD1-CD2 4.01Å; I7-L77 HydrophobicContact CG1-CB 3.98Å; I7-L77 HydrophobicContact CG1-CD2 4.18Å; I7-L77 HydrophobicContact CG2-CD2 4.17Å
8D87.6Confident91.9Very high132 Ų13267.6 Ų67.671%0.70638%0.382SS*.THydrogen-bonded Turntrans47.836.9-178-61.1-26.1000114.2
9G88.7Confident91.9Very high64 Ų6470 Ų7066%0.6639%0.39SS*.THydrogen-bonded Turntrans91.9-9.8-178.400000114.9N6 I7N6-G9 WeakPolarHBondContact OD1-CA 3.47Å; N6-G9 PolarHBondContact OD1-N 3.1Å; I7-G9 PolarHBondContact O-N 2.79Å; I7-G9 VanDerWaalsContact O-N 3.09Å
10V90.2Very high92Very high80 Ų8068.1 Ų68.149%0.48539%0.386SS..EExtended strand (participates in β ladder)trans-94.9115177.7-175.90000110.1N6 I7 R12N6-V10 PolarHBondContact OD1-N 3.47Å; I7-V10 PolarHBondContact N-O 3.42Å; I7-V10 WeakPolarHBondContact O-CB 3.47Å; I7-V10 PolarHBondContact O-N 3.3Å; V10-R12 HydrophobicContact CG1-CG 4.43Å
11L91.7Very high92.2Very high103 Ų10365.4 Ų65.454%0.53937%0.372SS..EExtended strand (participates in β ladder)trans-76.1124.6175.5-162.267.6000110.7K4 N6K4-L11 HydrophobicContact CB-CD1 4.03Å; K4-L11 HydrophobicContact CB-CD2 4.46Å; K4-L11 HydrophobicContact CB-CG 4.3Å; K4-L11 HydrophobicContact CD-CD2 4.28Å; N6-L11 HydrophobicContact CB-CD1 4.22Å
12R92.1Very high92.5Very high110 Ų11063 Ų6342%0.41536%0.361SS..EExtended strand (participates in β ladder)trans-120.9149.5174.5-60.3-169.4-174.3-101.80.9110.4K4 V5 I7 V10K4-R12 CarbonylContact C-O 3.51Å; K4-R12 WeakPolarHBondContact CA-O 3.49Å; V5-R12 PolarHBondContact N-O 3.45Å; V5-R12 PolarHBondContact O-N 3.17Å; I7-R12 HydrophobicContact CD1-CG 4.48Å; V10-R12 HydrophobicContact CG1-CG 4.43Å
13E91.4Very high92.7Very high122 Ų12259 Ų5957%0.5734%0.34SS*.EExtended strand (participates in β ladder)trans-100.6134174.8-169.5154.5-134.700109.8I3I3-E13 WeakPolarHBondContact O-CA 3.29Å
14V92.6Very high92.9Very high28 Ų2864.4 Ų64.417%0.1737%0.365CS..EExtended strand (participates in β ladder)trans-112.2104.1176.1-179.50000107.7D2 I3 V5 I17 V26 L30D2-V14 WeakPolarHBondContact CA-O 3.38Å; I3-V14 HydrophobicContact CG1-CB 4.07Å; I3-V14 PolarHBondContact N-O 3Å; I3-V14 VanDerWaalsContact N-O 3.11Å; I3-V14 PolarHBondContact O-N 3.17Å; V5-V14 HydrophobicContact CG2-CG2 3.89Å; V14-I17 HydrophobicContact CB-CD1 4.28Å; V14-I17 HydrophobicContact CG1-CD1 3.97Å; V14-I17 HydrophobicContact CG1-CG1 4.13Å; V14-V26 HydrophobicContact CG1-CG1 4.47Å; V14-V26 HydrophobicContact CG1-CG2 4.47Å; V14-V26 HydrophobicContact CG2-CG1 4.48Å; V14-L30 HydrophobicContact CG2-CD1 4.16Å; V14-L30 HydrophobicContact CG2-CD2 3.61Å; V14-L30 HydrophobicContact CG2-CG 4.12Å
15C92Very high93Very high88 Ų8863.6 Ų63.660%0.59536%0.363SS*.  trans-84.9152.2-179.2-57.80000112.5D2D2-C15 VanDerWaalsContact OD1-CA 3.26Å; D2-C15 WeakPolarHBondContact OD1-CA 3.48Å
16G92Very high93Very high54 Ų5463.9 Ų63.956%0.55736%0.364SS*.  trans84.118.5166.800000116.1M1 D2M1-G16 PolarHBondContact O-N 3Å; D2-G16 PolarHBondContact OD1-N 2.98Å
17I93.6Very high93.1Very high7 Ų762.7 Ų62.74%0.03636%0.358CS..  trans-64.6133.9174.4-64.1164.6000109.8M1 I3 V14 T21 I59 I60M1-I17 HydrophobicContact CE-CB 4.3Å; M1-I17 HydrophobicContact CE-CG2 3.88Å; M1-I17 PolarHBondContact N-O 2.74Å; M1-I17 WeakPolarHBondContact O-CA 3.36Å; M1-I17 VanDerWaalsContact O-CB 3.25Å; M1-I17 WeakPolarHBondContact O-CB 3.46Å; M1-I17 PolarHBondContact O-N 3.36Å; I3-I17 HydrophobicContact CB-CD1 4.11Å; I3-I17 HydrophobicContact CD1-CD1 3.48Å; I3-I17 VanDerWaalsContact CD1-CD1 3.48Å; I3-I17 HydrophobicContact CG1-CD1 3.43Å; I3-I17 VanDerWaalsContact CG1-CD1 3.43Å; I3-I17 HydrophobicContact CG2-CD1 3.79Å; V14-I17 HydrophobicContact CB-CD1 4.28Å; V14-I17 HydrophobicContact CG1-CD1 3.97Å; V14-I17 HydrophobicContact CG1-CG1 4.13Å; I17-T21 HydrophobicContact CG1-CG2 4.4Å; I17-T21 HydrophobicContact CG2-CG2 4.16Å; I17-I59 HydrophobicContact CD1-CD1 4.36Å; I17-I59 HydrophobicContact CG2-CB 4.28Å; I17-I59 HydrophobicContact CG2-CG2 4.35Å; I17-I60 HydrophobicContact CG2-CD1 4.33Å; I17-I60 HydrophobicContact CG2-CG1 3.98Å
18N94.5Very high93.1Very high92 Ų9268.8 Ų68.849%0.49238%0.384SS..  trans-124.9177.7-178.569.347.1000110.9G20 T21 I60N18-G20 PolarHBondContact O-N 3.18Å; N18-G20 WeakPolarHBondContact OD1-CA 3.49Å; N18-G20 PolarHBondContact OD1-N 3.01Å; N18-T21 PolarHBondContact N-OG1 3.21Å; N18-T21 VanDerWaalsContact N-OG1 3.09Å; N18-T21 WeakPolarHBondContact O-CB 3.47Å; N18-T21 PolarHBondContact O-N 3.43Å; N18-T21 PolarHBondContact O-OG1 3.31Å; N18-T21 PolarHBondContact OD1-N 3.44Å; N18-T21 VanDerWaalsContact OD1-N 3.13Å; N18-T21 PolarHBondContact OD1-OG1 3.23Å; N18-I60 WeakPolarHBondContact O-CD1 3.3Å
19E93.4Very high93.4Very high113 Ų11368.9 Ų68.953%0.52838%0.379SS..THydrogen-bonded Turntrans-71.2-12.1-175.1-58.7-163.8137.200114.2R58 I60 K64E19-R58 WeakPolarHBondContact O-CD 3.29Å; E19-R58 PolarHBondContact O-NH1 2.99Å; E19-I60 HydrophobicContact CG-CD1 4.13Å; E19-I60 HydrophobicContact CG-CG2 4.3Å; E19-K64 IonicContact OE1-NZ 3.13Å; E19-K64 PolarHBondContact OE1-NZ 2.92Å
20G93.6Very high93.7Very high31 Ų3166.3 Ų66.332%0.3235%0.349SS..THydrogen-bonded Turntrans-87-22.5171.900000113.9N18 T22N18-G20 PolarHBondContact O-N 3.18Å; N18-G20 WeakPolarHBondContact OD1-CA 3.49Å; N18-G20 PolarHBondContact OD1-N 3.01Å; G20-T22 PolarHBondContact O-N 2.93Å
21T95.4Very high93.8Very high13 Ų1363.2 Ų63.28%0.0833%0.332CS..  trans-64.8118.5-171.6-51.90000112.4I17 N18 E25 V26 I59I17-T21 HydrophobicContact CG1-CG2 4.4Å; I17-T21 HydrophobicContact CG2-CG2 4.16Å; N18-T21 PolarHBondContact N-OG1 3.21Å; N18-T21 VanDerWaalsContact N-OG1 3.09Å; N18-T21 WeakPolarHBondContact O-CB 3.47Å; N18-T21 PolarHBondContact O-N 3.43Å; N18-T21 PolarHBondContact O-OG1 3.31Å; N18-T21 PolarHBondContact OD1-N 3.44Å; N18-T21 VanDerWaalsContact OD1-N 3.13Å; N18-T21 PolarHBondContact OD1-OG1 3.23Å; T21-E25 WeakPolarHBondContact CA-OE2 3.44Å; T21-V26 HydrophobicContact CG2-CG2 3.67Å; T21-I59 PolarHBondContact O-N 3.35Å
22T96.1Very high93.8Very high26 Ų2664.5 Ų64.516%0.1634%0.336CS..BIsolated β-bridgetrans-87.5163.2176.766.40000111.8G20 E24 E25 V26 E57G20-T22 PolarHBondContact O-N 2.93Å; T22-E24 VanDerWaalsContact C-N 3.29Å; T22-E25 PolarHBondContact O-N 3.49Å; T22-E25 WeakPolarHBondContact OG1-CG 3.46Å; T22-E25 PolarHBondContact OG1-N 3.04Å; T22-V26 PolarHBondContact O-N 3.2Å; T22-E57 CarbonylContact C-O 3.5Å; T22-E57 WeakPolarHBondContact CA-O 3.33Å
23C95Very high93.7Very high0 Ų065 Ų650%035%0.345CS..Hα-helixtrans-63.1-38.3172-66.50000111.2E25 V26 I27 L53 S54 P55 E57C23-E25 PolarHBondContact O-N 3.3Å; C23-V26 PolarHBondContact O-N 2.93Å; C23-I27 HydrophobicContact CB-CD1 4.42Å; C23-I27 WeakPolarHBondContact O-CB 3.06Å; C23-I27 WeakPolarHBondContact O-CD1 3.46Å; C23-I27 WeakPolarHBondContact O-CG1 3.24Å; C23-I27 PolarHBondContact O-N 2.98Å; C23-L53 HydrophobicContact CB-CB 4.46Å; C23-S54 WeakPolarHBondContact CB-O 3.28Å; C23-P55 PolarHBondContact N-O 3.45Å; C23-E57 PolarHBondContact N-O 2.9Å; C23-E57 PolarHBondContact SG-O 3.08Å
24E95.6Very high93.6Very high121 Ų12160.4 Ų60.457%0.56533%0.329SS*.Hα-helixtrans-56-47.8174.5-176.7176.3-147.800112.8T22 V26 I27 F28 P55T22-E24 VanDerWaalsContact C-N 3.29Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 3.46Å; E24-I27 PolarHBondContact O-N 3.46Å; E24-F28 WeakPolarHBondContact O-CB 3.33Å; E24-F28 PolarHBondContact O-N 3.48Å; E24-P55 HydrophobicContact CB-CB 3.95Å; E24-P55 WeakPolarHBondContact CB-O 3.32Å; E24-P55 PolarHBondContact N-O 2.82Å
25E95.4Very high93.6Very high97 Ų9764.1 Ų64.145%0.45336%0.355SS..Hα-helixtrans-59.5-41.2178.6-76.2179.4170.500112.4T21 T22 C23 K29T21-E25 WeakPolarHBondContact CA-OE2 3.44Å; T22-E25 PolarHBondContact O-N 3.49Å; T22-E25 WeakPolarHBondContact OG1-CG 3.46Å; T22-E25 PolarHBondContact OG1-N 3.04Å; C23-E25 PolarHBondContact O-N 3.3Å; E25-K29 WeakPolarHBondContact O-CB 3.47Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.15Å
26V95.2Very high93.5Very high6 Ų661.7 Ų61.74%0.03634%0.337CS..Hα-helixtrans-72.3-41.8178.2170.60000111.3V14 T21 T22 C23 E24 F28 K29 L30 L42 I59V14-V26 HydrophobicContact CG1-CG1 4.47Å; V14-V26 HydrophobicContact CG1-CG2 4.47Å; V14-V26 HydrophobicContact CG2-CG1 4.48Å; T21-V26 HydrophobicContact CG2-CG2 3.67Å; T22-V26 PolarHBondContact O-N 3.2Å; C23-V26 PolarHBondContact O-N 2.93Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 3.46Å; V26-F28 VanDerWaalsContact C-N 3.35Å; V26-F28 PolarHBondContact O-N 3.01Å; V26-K29 PolarHBondContact O-N 3.4Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 VanDerWaalsContact O-CB 3.28Å; V26-L30 WeakPolarHBondContact O-CB 3.5Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.06Å; V26-L42 HydrophobicContact CG1-CD2 4.49Å; V26-I59 HydrophobicContact CB-CD1 3.87Å; V26-I59 HydrophobicContact CG1-CD1 4.29Å; V26-I59 HydrophobicContact CG2-CD1 3.43Å; V26-I59 VanDerWaalsContact CG2-CD1 3.43Å
27I95Very high93.4Very high21 Ų2163.6 Ų63.611%0.10834%0.339CS..Hα-helixtrans-57-49.7173.7-72.1160.8000110.2C23 E24 L30 A31 L42 L77C23-I27 HydrophobicContact CB-CD1 4.42Å; C23-I27 WeakPolarHBondContact O-CB 3.06Å; C23-I27 WeakPolarHBondContact O-CD1 3.46Å; C23-I27 WeakPolarHBondContact O-CG1 3.24Å; C23-I27 PolarHBondContact O-N 2.98Å; E24-I27 PolarHBondContact O-N 3.46Å; I27-L30 PolarHBondContact O-N 2.92Å; I27-A31 VanDerWaalsContact O-CB 3.28Å; I27-A31 WeakPolarHBondContact O-CB 3.42Å; I27-A31 PolarHBondContact O-N 3.08Å; I27-L42 HydrophobicContact CD1-CB 4.04Å; I27-L42 HydrophobicContact CG1-CB 4.05Å; I27-L77 HydrophobicContact CB-CD1 4.36Å; I27-L77 HydrophobicContact CG1-CD1 3.96Å; I27-L77 HydrophobicContact CG2-CD1 4.24Å
28F94Very high93.1Very high137 Ų13765.8 Ų65.860%0.60136%0.363SS*.Hα-helixtrans-62-48.7-178.9-174.7-94.5000111.8E24 V26 L30 A31 Q32E24-F28 WeakPolarHBondContact O-CB 3.33Å; E24-F28 PolarHBondContact O-N 3.48Å; V26-F28 VanDerWaalsContact C-N 3.35Å; V26-F28 PolarHBondContact O-N 3.01Å; F28-L30 PolarHBondContact O-N 3.38Å; F28-A31 PolarHBondContact O-N 3.46Å; F28-Q32 VanDerWaalsContact O-CB 3.29Å; F28-Q32 WeakPolarHBondContact O-CB 3.47Å; F28-Q32 PolarHBondContact O-N 3.23Å
29K93.5Very high93Very high134 Ų13468.2 Ų68.258%0.58337%0.369SS*.Hα-helixtrans-63.2-42.3177.6-76.4-174.9177.7179.90112.6E25 V26 Q32 I33E25-K29 WeakPolarHBondContact O-CB 3.47Å; E25-K29 WeakPolarHBondContact O-CG 3.48Å; E25-K29 PolarHBondContact O-N 3.15Å; V26-K29 PolarHBondContact O-N 3.4Å; K29-Q32 PolarHBondContact O-N 3.32Å; K29-I33 WeakPolarHBondContact O-CB 3.47Å; K29-I33 WeakPolarHBondContact O-CD1 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.35Å; K29-I33 PolarHBondContact O-N 2.91Å
30L94.7Very high93.1Very high9 Ų964 Ų645%0.04735%0.349CS..Hα-helixtrans-65.7-44177.9-74.7179.5000112V5 I7 V14 V26 I27 F28 Q32 I33 A34 L77V5-L30 HydrophobicContact CB-CD1 3.89Å; V5-L30 HydrophobicContact CG1-CD1 3.66Å; V5-L30 HydrophobicContact CG2-CD1 3.92Å; I7-L30 HydrophobicContact CD1-CB 4.1Å; I7-L30 HydrophobicContact CD1-CD1 4.2Å; I7-L30 HydrophobicContact CD1-CD2 3.96Å; I7-L30 HydrophobicContact CD1-CG 4.32Å; V14-L30 HydrophobicContact CG2-CD1 4.16Å; V14-L30 HydrophobicContact CG2-CD2 3.61Å; V14-L30 HydrophobicContact CG2-CG 4.12Å; V26-L30 HydrophobicContact CG1-CD1 3.78Å; V26-L30 HydrophobicContact CG1-CG 4.19Å; V26-L30 VanDerWaalsContact O-CB 3.28Å; V26-L30 WeakPolarHBondContact O-CB 3.5Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.06Å; I27-L30 PolarHBondContact O-N 2.92Å; F28-L30 PolarHBondContact O-N 3.38Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-I33 PolarHBondContact O-N 3.42Å; L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 2.97Å; L30-L77 HydrophobicContact CB-CD2 4.04Å
31A92.5Very high93.1Very high15 Ų1563.3 Ų63.312%0.12434%0.338CS..Hα-helixtrans-62.7-42.1176.400000111.6I27 F28 S35 L36 Y40I27-A31 VanDerWaalsContact O-CB 3.28Å; I27-A31 WeakPolarHBondContact O-CB 3.42Å; I27-A31 PolarHBondContact O-N 3.08Å; F28-A31 PolarHBondContact O-N 3.46Å; A31-S35 WeakPolarHBondContact O-CA 3.43Å; A31-S35 PolarHBondContact O-N 3.34Å; A31-L36 HydrophobicContact CB-CB 4.4Å; A31-L36 PolarHBondContact O-N 3.37Å; A31-Y40 HydrophobicContact CB-CD2 4.33Å
32Q91.3Very high93.2Very high130 Ų13062.7 Ų62.761%0.60734%0.335SS*.Hα-helixtrans-62.5-51175.7-172.9179.243.500112F28 K29 L30 A34 S35F28-Q32 VanDerWaalsContact O-CB 3.29Å; F28-Q32 WeakPolarHBondContact O-CB 3.47Å; F28-Q32 PolarHBondContact O-N 3.23Å; K29-Q32 PolarHBondContact O-N 3.32Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.88Å; Q32-S35 PolarHBondContact O-N 3.2Å
33I90.6Very high93.1Very high120 Ų12061.4 Ų61.462%0.61533%0.327SS*.Hα-helixtrans-64.1-38.2-179.5-68.3164.4000111.4K29 L30 S35K29-I33 WeakPolarHBondContact O-CB 3.47Å; K29-I33 WeakPolarHBondContact O-CD1 3.25Å; K29-I33 WeakPolarHBondContact O-CG1 3.35Å; K29-I33 PolarHBondContact O-N 2.91Å; L30-I33 PolarHBondContact O-N 3.42Å; I33-S35 VanDerWaalsContact C-N 3.31Å
34A90.1Very high93Very high27 Ų2761.4 Ų61.422%0.22333%0.327CS..THydrogen-bonded Turntrans-84.7-0.5178.700000113.8L30 Q32 L36L30-A34 WeakPolarHBondContact O-CB 3.41Å; L30-A34 PolarHBondContact O-N 2.97Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.88Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 HydrophobicContact CB-CD1 3.72Å; A34-L36 HydrophobicContact CB-CG 3.69Å; A34-L36 PolarHBondContact O-N 2.94Å
35S91.7Very high92.8Very high105 Ų10557.4 Ų57.473%0.73431%0.312SS*.THydrogen-bonded Turntrans53.341-175.4-57.30000113.6A31 Q32 I33 P37A31-S35 WeakPolarHBondContact O-CA 3.43Å; A31-S35 PolarHBondContact O-N 3.34Å; Q32-S35 PolarHBondContact O-N 3.2Å; I33-S35 VanDerWaalsContact C-N 3.31Å; S35-P37 WeakPolarHBondContact O-CD 3.29Å
36L90.4Very high92.5Very high38 Ų3853.3 Ų53.320%0.19929%0.294CS..  trans-96.4114.9-173.4-74.8179.4000112.4I7 A31 A34 Y40 L77I7-L36 HydrophobicContact CG2-CD1 3.57Å; A31-L36 HydrophobicContact CB-CB 4.4Å; A31-L36 PolarHBondContact O-N 3.37Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 HydrophobicContact CB-CD1 3.72Å; A34-L36 HydrophobicContact CB-CG 3.69Å; A34-L36 PolarHBondContact O-N 2.94Å; L36-Y40 HydrophobicContact CB-CE1 4.49Å; L36-Y40 HydrophobicContact CB-CE2 4.06Å; L36-Y40 HydrophobicContact CD1-CE1 4.32Å; L36-L77 HydrophobicContact CD1-CD2 4.13Å
37P89.3Confident92Very high94 Ų9461.8 Ų61.861%0.6133%0.325SS*.  trans-90.4124.7-177.533.6-33.6000113.5S35 R79S35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-R79 PolarHBondContact O-NH2 3.25Å
38G88.9Confident91.4Very high52 Ų5268.9 Ų68.954%0.53636%0.364SS..SBendtrans138.3-164.8169.600000113.1Y40G38-Y40 WeakPolarHBondContact O-CD2 3.41Å
39F91.7Very high91.1Very high143 Ų14369.4 Ų69.463%0.62737%0.366SS*.EExtended strand (participates in β ladder)trans-90.2143.2172.1-59.3-76.4000109.6L80 A82F39-L80 HydrophobicContact CB-CB 3.93Å; F39-L80 HydrophobicContact CB-CD1 4.11Å; F39-L80 PolarHBondContact O-N 3.34Å; F39-A82 HydrophobicContact CD2-CB 4.02Å; F39-A82 HydrophobicContact CE2-CB 4.45Å
40Y94.5Very high91Very high25 Ų2567.9 Ų67.910%0.09836%0.361CS..EExtended strand (participates in β ladder)trans-138.4152.1-178.1-68.5-92.1000109.3A31 L36 G38 L77 R78 R79A31-Y40 HydrophobicContact CB-CD2 4.33Å; L36-Y40 HydrophobicContact CB-CE1 4.49Å; L36-Y40 HydrophobicContact CB-CE2 4.06Å; L36-Y40 HydrophobicContact CD1-CE1 4.32Å; G38-Y40 WeakPolarHBondContact O-CD2 3.41Å; Y40-L77 HydrophobicContact CD1-CD1 4.49Å; Y40-L77 HydrophobicContact CD1-CD2 4.21Å; Y40-L77 HydrophobicContact CD1-CG 3.93Å; Y40-L77 HydrophobicContact CG-CD1 4.46Å; Y40-L77 HydrophobicContact CG-CG 4.36Å; Y40-R78 CarbonylContact C-O 3.59Å; Y40-R78 WeakPolarHBondContact CA-O 3.46Å; Y40-R79 VanDerWaalsContact CD1-CA 3.47Å; Y40-R79 HydrophobicContact CD1-CB 3.98Å; Y40-R79 HydrophobicContact CD1-CG 4.29Å; Y40-R79 HydrophobicContact CE1-CB 3.62Å; Y40-R79 HydrophobicContact CE1-CG 3.75Å
41T95.3Very high91Very high16 Ų1670.7 Ų70.710%0.09838%0.375CS..EExtended strand (participates in β ladder)trans-126156.5170.1-176.50000109.3V43 T52 R78 L80T41-V43 HydrophobicContact CG2-CG2 4.25Å; T41-T52 HydrophobicContact CG2-CG2 3.94Å; T41-T52 VanDerWaalsContact OG1-CG2 3.24Å; T41-T52 WeakPolarHBondContact OG1-CG2 3.49Å; T41-R78 HydrophobicContact CG2-CB 4.1Å; T41-R78 PolarHBondContact N-O 3.35Å; T41-R78 PolarHBondContact O-N 3.49Å; T41-L80 HydrophobicContact CG2-CD2 3.87Å; T41-L80 HydrophobicContact CG2-CG 4.01Å
42L95.5Very high91Very high0 Ų074 Ų740%039%0.394CS..EExtended strand (participates in β ladder)trans-101.6121.2176.4-162.165.8000108.2V5 V26 I27 L53 I59 F75 L77V5-L42 HydrophobicContact CG1-CD1 3.74Å; V26-L42 HydrophobicContact CG1-CD2 4.49Å; I27-L42 HydrophobicContact CD1-CB 4.04Å; I27-L42 HydrophobicContact CG1-CB 4.05Å; L42-L53 HydrophobicContact CB-CD1 4.31Å; L42-L53 HydrophobicContact CD2-CD1 4.11Å; L42-L53 HydrophobicContact CG-CD1 4.24Å; L42-L53 WeakPolarHBondContact O-CB 3.42Å; L42-L53 WeakPolarHBondContact O-CG 3.32Å; L42-L53 PolarHBondContact O-N 3Å; L42-I59 HydrophobicContact CD2-CD1 4.31Å; L42-F75 HydrophobicContact CD1-CB 4.02Å; L42-F75 HydrophobicContact CD2-CB 4.49Å; L42-F75 HydrophobicContact CD2-CD1 3.8Å; L42-F75 HydrophobicContact CD2-CE1 4.48Å; L42-F75 HydrophobicContact CD2-CG 4.43Å; L42-F75 HydrophobicContact CG-CB 4.23Å; L42-F75 HydrophobicContact CG-CD1 4Å; L42-L77 HydrophobicContact CD1-CD1 4.45Å
43V94.7Very high91.2Very high0 Ų068 Ų680%037%0.366CS..EExtended strand (participates in β ladder)trans-108.3120.7178.4-178.70000108.4T41 E50 I51 T52 F75 I76 R78T41-V43 HydrophobicContact CG2-CG2 4.25Å; V43-E50 HydrophobicContact CG1-CB 3.79Å; V43-E50 HydrophobicContact CG1-CG 4.17Å; V43-I51 CarbonylContact C-O 3.6Å; V43-I51 WeakPolarHBondContact CA-O 3.45Å; V43-T52 HydrophobicContact CG2-CG2 4.39Å; V43-F75 CarbonylContact O-C 3.46Å; V43-F75 WeakPolarHBondContact O-CA 3.23Å; V43-I76 HydrophobicContact CB-CB 4.38Å; V43-I76 PolarHBondContact N-O 3.35Å; V43-I76 PolarHBondContact O-N 3.42Å; V43-R78 HydrophobicContact CG2-CB 3.97Å
44A94Very high91.4Very high0 Ų065.1 Ų65.10%036%0.357CS..EExtended strand (participates in β ladder)trans-88.3124.6172.200000110.2E50 I51 L53 F62 I73 F75A44-E50 CarbonylContact O-C 3.51Å; A44-E50 WeakPolarHBondContact O-CA 3.46Å; A44-I51 PolarHBondContact N-O 2.91Å; A44-I51 PolarHBondContact O-N 3.41Å; A44-L53 HydrophobicContact CB-CD1 4.34Å; A44-L53 HydrophobicContact CB-CD2 4.35Å; A44-L53 HydrophobicContact CB-CG 4.5Å; A44-F62 HydrophobicContact CB-CD1 4.29Å; A44-F62 HydrophobicContact CB-CE1 3.29Å; A44-F62 HydrophobicContact CB-CZ 3.43Å; A44-F62 VanDerWaalsContact CB-CZ 3.43Å; A44-I73 HydrophobicContact CB-CG2 4.1Å; A44-F75 HydrophobicContact CB-CD1 4.1Å; A44-F75 HydrophobicContact CB-CE1 4.08Å
45S91.5Very high91.5Very high37 Ų3766.5 Ų66.526%0.25936%0.363SS..EExtended strand (participates in β ladder)trans-102.8119172.2-176.50000109.7K49 C74S45-K49 WeakPolarHBondContact CA-O 3.25Å; S45-C74 PolarHBondContact N-O 2.89Å; S45-C74 PolarHBondContact O-N 3.45Å
46C88.5Confident91.7Very high11 Ų1167.7 Ų67.77%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-146.7131.6178.260.10000110.9D48 K49 T66 I73C46-D48 VanDerWaalsContact C-N 3.32Å; C46-D48 PolarHBondContact O-N 2.93Å; C46-K49 PolarHBondContact N-O 2.81Å; C46-K49 WeakPolarHBondContact O-CB 3.41Å; C46-K49 PolarHBondContact O-N 3.08Å; C46-T66 HydrophobicContact CB-CG2 4.43Å; C46-I73 HydrophobicContact CB-CG1 4.28Å
47R85.4Confident91.8Very high183 Ų18368.4 Ų68.469%0.69136%0.359SS*.THydrogen-bonded Turntrans45.950.7179.7-54.6-174.5-171.6172.46.9113.7K49 E68R47-K49 PolarHBondContact O-N 2.87Å; R47-K49 VanDerWaalsContact O-N 3.08Å; R47-E68 IonicContact CZ-OE2 3.89Å; R47-E68 IonicContact NE-OE2 2.68Å; R47-E68 PolarHBondContact NE-OE2 3.4Å; R47-E68 IonicContact NH2-OE2 2.78Å; R47-E68 PolarHBondContact NH2-OE2 2.84Å
48D80.8Confident92.1Very high171 Ų17169.4 Ų69.491%0.91435%0.351SS*.THydrogen-bonded Turntrans59.716.2-178.3-48-52.1000115.2C46C46-D48 VanDerWaalsContact C-N 3.32Å; C46-D48 PolarHBondContact O-N 2.93Å
49K88Confident92.3Very high147 Ų14766.9 Ų66.964%0.63933%0.325SS*.EExtended strand (participates in β ladder)trans-110.2129.2171.1-61.1-176.9179.9-174.90110S45 C46 R47S45-K49 WeakPolarHBondContact CA-O 3.25Å; C46-K49 PolarHBondContact N-O 2.81Å; C46-K49 WeakPolarHBondContact O-CB 3.41Å; C46-K49 PolarHBondContact O-N 3.08Å; R47-K49 PolarHBondContact O-N 2.87Å; R47-K49 VanDerWaalsContact O-N 3.08Å
50E92Very high92.4Very high102 Ų10261 Ų6148%0.47730%0.3SS..EExtended strand (participates in β ladder)trans-94.7129.7165.6-68.6-165.4166.200110.1V43 A44 R78V43-E50 HydrophobicContact CG1-CB 3.79Å; V43-E50 HydrophobicContact CG1-CG 4.17Å; A44-E50 CarbonylContact O-C 3.51Å; A44-E50 WeakPolarHBondContact O-CA 3.46Å; E50-R78 VanDerWaalsContact CD-NH2 3.29Å; E50-R78 IonicContact OE1-NH2 2.79Å; E50-R78 PolarHBondContact OE1-NH2 3.45Å; E50-R78 VanDerWaalsContact OE1-NH2 3.13Å; E50-R78 IonicContact OE2-CZ 3.3Å; E50-R78 VanDerWaalsContact OE2-CZ 3.26Å; E50-R78 IonicContact OE2-NH1 3.1Å; E50-R78 PolarHBondContact OE2-NH1 3.43Å; E50-R78 IonicContact OE2-NH2 3.12Å; E50-R78 PolarHBondContact OE2-NH2 3.29Å
51I93.8Very high92.3Very high68 Ų6862.9 Ų62.935%0.34931%0.312SS..EExtended strand (participates in β ladder)trans-120.6121.6175.3-56.5174000107.2V43 A44 L53 F62V43-I51 CarbonylContact C-O 3.6Å; V43-I51 WeakPolarHBondContact CA-O 3.45Å; A44-I51 PolarHBondContact N-O 2.91Å; A44-I51 PolarHBondContact O-N 3.41Å; I51-L53 HydrophobicContact CG2-CD2 4.35Å; I51-F62 HydrophobicContact CB-CE2 4.28Å; I51-F62 HydrophobicContact CB-CZ 4.33Å; I51-F62 HydrophobicContact CD1-CE2 4.01Å; I51-F62 HydrophobicContact CD1-CZ 4.07Å; I51-F62 HydrophobicContact CG2-CE2 4Å
52T94.3Very high92.2Very high85 Ų8562.5 Ų62.552%0.52131%0.309SS..EExtended strand (participates in β ladder)trans-84.4125.2174.2-56.40000108.5T41 V43T41-T52 HydrophobicContact CG2-CG2 3.94Å; T41-T52 VanDerWaalsContact OG1-CG2 3.24Å; T41-T52 WeakPolarHBondContact OG1-CG2 3.49Å; V43-T52 HydrophobicContact CG2-CG2 4.39Å
53L94.6Very high92Very high5 Ų563.2 Ų63.23%0.02631%0.312CS..PPolyproline II helixtrans-87.8146.2-174.5-53.9175.8000111.2C23 L42 A44 I51 E57 F62 F75C23-L53 HydrophobicContact CB-CB 4.46Å; L42-L53 HydrophobicContact CB-CD1 4.31Å; L42-L53 HydrophobicContact CD2-CD1 4.11Å; L42-L53 HydrophobicContact CG-CD1 4.24Å; L42-L53 WeakPolarHBondContact O-CB 3.42Å; L42-L53 WeakPolarHBondContact O-CG 3.32Å; L42-L53 PolarHBondContact O-N 3Å; A44-L53 HydrophobicContact CB-CD1 4.34Å; A44-L53 HydrophobicContact CB-CD2 4.35Å; A44-L53 HydrophobicContact CB-CG 4.5Å; I51-L53 HydrophobicContact CG2-CD2 4.35Å; L53-E57 VanDerWaalsContact CA-OE2 3.32Å; L53-E57 WeakPolarHBondContact CA-OE2 3.4Å; L53-F62 HydrophobicContact CD1-CD1 4.48Å; L53-F62 HydrophobicContact CD2-CB 4.45Å; L53-F62 HydrophobicContact CD2-CD1 4.02Å; L53-F62 HydrophobicContact CD2-CD2 3.36Å; L53-F62 HydrophobicContact CD2-CE1 4.14Å; L53-F62 HydrophobicContact CD2-CE2 3.5Å; L53-F62 VanDerWaalsContact CD2-CE2 3.5Å; L53-F62 HydrophobicContact CD2-CG 3.64Å; L53-F62 HydrophobicContact CD2-CZ 3.9Å; L53-F75 HydrophobicContact CD1-CD1 4.01Å; L53-F75 HydrophobicContact CD1-CE1 3.82Å
54S94Very high91.8Very high59 Ų5968.8 Ų68.841%0.41334%0.337SS..PPolyproline II helixtrans-72.2145.3173.1-148.60000110C23 E56 E57C23-S54 WeakPolarHBondContact CB-O 3.28Å; S54-E56 WeakPolarHBondContact CB-OE2 3.32Å; S54-E56 PolarHBondContact O-N 3.23Å; S54-E56 PolarHBondContact OG-OE2 3.22Å; S54-E57 PolarHBondContact N-OE2 2.96Å; S54-E57 WeakPolarHBondContact O-CB 3.33Å; S54-E57 PolarHBondContact O-N 3.49Å
55P93.8Very high91.6Very high55 Ų5575.6 Ų75.636%0.35737%0.368SS..THydrogen-bonded Turntrans-57-34.7176.917.8-27.8000113C23 E24 E57C23-P55 PolarHBondContact N-O 3.45Å; E24-P55 HydrophobicContact CB-CB 3.95Å; E24-P55 WeakPolarHBondContact CB-O 3.32Å; E24-P55 PolarHBondContact N-O 2.82Å; P55-E57 VanDerWaalsContact C-N 3.27Å; P55-E57 PolarHBondContact O-N 3.46Å
56E94.6Very high91.4Very high131 Ų13175.5 Ų75.561%0.61237%0.366SS*.THydrogen-bonded Turntrans-76.6-10.5177.9-47.880.9179.700113.6S54S54-E56 WeakPolarHBondContact CB-OE2 3.32Å; S54-E56 PolarHBondContact O-N 3.23Å; S54-E56 PolarHBondContact OG-OE2 3.22Å
57E93.8Very high91.1Very high52 Ų5283.8 Ų83.824%0.24340%0.401CS..  trans-72.8137.5-174-165.3172174.200111.2T22 C23 L53 S54 P55 F62T22-E57 CarbonylContact C-O 3.5Å; T22-E57 WeakPolarHBondContact CA-O 3.33Å; C23-E57 PolarHBondContact N-O 2.9Å; C23-E57 PolarHBondContact SG-O 3.08Å; L53-E57 VanDerWaalsContact CA-OE2 3.32Å; L53-E57 WeakPolarHBondContact CA-OE2 3.4Å; S54-E57 PolarHBondContact N-OE2 2.96Å; S54-E57 WeakPolarHBondContact O-CB 3.33Å; S54-E57 PolarHBondContact O-N 3.49Å; P55-E57 VanDerWaalsContact C-N 3.27Å; P55-E57 PolarHBondContact O-N 3.46Å; E57-F62 VanDerWaalsContact OE1-CD2 3.31Å; E57-F62 WeakPolarHBondContact OE1-CD2 3.47Å
58R94.8Very high90.9Very high115 Ų11576.4 Ų76.443%0.43438%0.375SS..BIsolated β-bridgetrans-90.9122.1-179.1-70.2170.9177.6-137.87.1110.1E19 I60 N61 F62E19-R58 WeakPolarHBondContact O-CD 3.29Å; E19-R58 PolarHBondContact O-NH1 2.99Å; R58-I60 VanDerWaalsContact C-N 3.27Å; R58-I60 PolarHBondContact O-N 3.28Å; R58-N61 HydrophobicContact CB-CB 4.1Å; R58-N61 WeakPolarHBondContact O-CA 3.41Å; R58-N61 WeakPolarHBondContact O-CB 3.46Å; R58-N61 PolarHBondContact O-N 2.81Å; R58-F62 PolarHBondContact O-N 2.95Å
59I93.5Very high91.1Very high0 Ų073.3 Ų73.30%036%0.358CS..Hα-helixtrans-56.6-40.8-174.2-63.8172.1000111.8M1 I3 I17 T21 V26 L42 N61 I63 F75M1-I59 HydrophobicContact CE-CG2 4.18Å; I3-I59 HydrophobicContact CD1-CD1 4.19Å; I3-I59 HydrophobicContact CD1-CG2 4.21Å; I3-I59 HydrophobicContact CG2-CG2 4.3Å; I17-I59 HydrophobicContact CD1-CD1 4.36Å; I17-I59 HydrophobicContact CG2-CB 4.28Å; I17-I59 HydrophobicContact CG2-CG2 4.35Å; T21-I59 PolarHBondContact O-N 3.35Å; V26-I59 HydrophobicContact CB-CD1 3.87Å; V26-I59 HydrophobicContact CG1-CD1 4.29Å; V26-I59 HydrophobicContact CG2-CD1 3.43Å; V26-I59 VanDerWaalsContact CG2-CD1 3.43Å; L42-I59 HydrophobicContact CD2-CD1 4.31Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 2.83Å; I59-I63 HydrophobicContact CG2-CD1 3.93Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.34Å; I59-I63 PolarHBondContact O-N 2.77Å; I59-I63 VanDerWaalsContact O-N 3.1Å; I59-F75 HydrophobicContact CG2-CE1 4.29Å; I59-F75 HydrophobicContact CG2-CZ 3.94Å
60I93.1Very high90.9Very high20 Ų2069.1 Ų69.110%0.10335%0.346CS..Hα-helixtrans-66.6-35.3177.7-60.5-161.8000111.9M1 I17 N18 E19 R58 K64M1-I60 HydrophobicContact CB-CD1 4.37Å; M1-I60 HydrophobicContact CE-CD1 4.3Å; M1-I60 HydrophobicContact CE-CG1 3.73Å; M1-I60 HydrophobicContact SD-CD1 4.28Å; M1-I60 HydrophobicContact SD-CG1 4.09Å; I17-I60 HydrophobicContact CG2-CD1 4.33Å; I17-I60 HydrophobicContact CG2-CG1 3.98Å; N18-I60 WeakPolarHBondContact O-CD1 3.3Å; E19-I60 HydrophobicContact CG-CD1 4.13Å; E19-I60 HydrophobicContact CG-CG2 4.3Å; R58-I60 VanDerWaalsContact C-N 3.27Å; R58-I60 PolarHBondContact O-N 3.28Å; I60-K64 HydrophobicContact CG2-CD 4.07Å; I60-K64 HydrophobicContact CG2-CG 4.46Å; I60-K64 WeakPolarHBondContact O-CB 3.5Å; I60-K64 VanDerWaalsContact O-CG 3.26Å; I60-K64 WeakPolarHBondContact O-CG 3.45Å; I60-K64 PolarHBondContact O-N 3.45Å
61N92.8Very high90.5Very high63 Ų6369.7 Ų69.734%0.33736%0.361SS..Hα-helixtrans-70-46.9178.3-68.62.7000110.5R58 I59 I63 K64 E65R58-N61 HydrophobicContact CB-CB 4.1Å; R58-N61 WeakPolarHBondContact O-CA 3.41Å; R58-N61 WeakPolarHBondContact O-CB 3.46Å; R58-N61 PolarHBondContact O-N 2.81Å; I59-N61 VanDerWaalsContact C-N 3.34Å; I59-N61 PolarHBondContact O-N 2.83Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 3.06Å; N61-K64 WeakPolarHBondContact O-CB 3.43Å; N61-K64 PolarHBondContact O-N 3.41Å; N61-K64 VanDerWaalsContact O-N 3.09Å; N61-E65 WeakPolarHBondContact O-CG 3.32Å; N61-E65 PolarHBondContact O-N 2.9Å
62F92.6Very high90.2Very high8 Ų871 Ų714%0.03537%0.369CS..Hα-helixtrans-53.9-45.4174.7173.6-98.8000112.5A44 I51 L53 E57 R58 E65 T66 I73 F75A44-F62 HydrophobicContact CB-CD1 4.29Å; A44-F62 HydrophobicContact CB-CE1 3.29Å; A44-F62 HydrophobicContact CB-CZ 3.43Å; A44-F62 VanDerWaalsContact CB-CZ 3.43Å; I51-F62 HydrophobicContact CB-CE2 4.28Å; I51-F62 HydrophobicContact CB-CZ 4.33Å; I51-F62 HydrophobicContact CD1-CE2 4.01Å; I51-F62 HydrophobicContact CD1-CZ 4.07Å; I51-F62 HydrophobicContact CG2-CE2 4Å; L53-F62 HydrophobicContact CD1-CD1 4.48Å; L53-F62 HydrophobicContact CD2-CB 4.45Å; L53-F62 HydrophobicContact CD2-CD1 4.02Å; L53-F62 HydrophobicContact CD2-CD2 3.36Å; L53-F62 HydrophobicContact CD2-CE1 4.14Å; L53-F62 HydrophobicContact CD2-CE2 3.5Å; L53-F62 VanDerWaalsContact CD2-CE2 3.5Å; L53-F62 HydrophobicContact CD2-CG 3.64Å; L53-F62 HydrophobicContact CD2-CZ 3.9Å; E57-F62 VanDerWaalsContact OE1-CD2 3.31Å; E57-F62 WeakPolarHBondContact OE1-CD2 3.47Å; R58-F62 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 3.36Å; F62-T66 WeakPolarHBondContact CZ-OG1 3.23Å; F62-T66 WeakPolarHBondContact O-CB 3.46Å; F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.46Å; F62-I73 HydrophobicContact CE1-CG2 4.28Å; F62-F75 HydrophobicContact CD1-CE1 4.2Å; F62-F75 HydrophobicContact CD1-CZ 4.41Å; F62-F75 HydrophobicContact CE1-CE1 4.38Å
63I91.9Very high90.1Very high15 Ų1567.3 Ų67.38%0.07735%0.346CS..Hα-helixtrans-63.6-44.3177-68168.8000111.2M1 I3 I59 N61 E65 T66 P70 I73 F75M1-I63 HydrophobicContact CE-CD1 3.49Å; M1-I63 VanDerWaalsContact CE-CD1 3.49Å; M1-I63 HydrophobicContact SD-CD1 4.02Å; I3-I63 HydrophobicContact CG2-CD1 4.27Å; I59-I63 HydrophobicContact CG2-CD1 3.93Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.34Å; I59-I63 PolarHBondContact O-N 2.77Å; I59-I63 VanDerWaalsContact O-N 3.1Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 3.06Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.35Å; I63-T66 PolarHBondContact O-N 2.98Å; I63-P70 HydrophobicContact CG2-CB 4.07Å; I63-I73 HydrophobicContact CB-CD1 4.29Å; I63-I73 HydrophobicContact CG1-CD1 3.88Å; I63-I73 HydrophobicContact CG2-CD1 4.16Å; I63-F75 HydrophobicContact CD1-CE2 4.29Å; I63-F75 HydrophobicContact CD1-CZ 3.96Å; I63-F75 HydrophobicContact CG1-CZ 4.02Å
64K90.6Very high89.9Confident118 Ų11869.3 Ų69.351%0.51336%0.36SS..Hα-helixtrans-61.1-40.7176.2-74.7169.9180172.90111.8E19 I60 N61E19-K64 IonicContact OE1-NZ 3.13Å; E19-K64 PolarHBondContact OE1-NZ 2.92Å; I60-K64 HydrophobicContact CG2-CD 4.07Å; I60-K64 HydrophobicContact CG2-CG 4.46Å; I60-K64 WeakPolarHBondContact O-CB 3.5Å; I60-K64 VanDerWaalsContact O-CG 3.26Å; I60-K64 WeakPolarHBondContact O-CG 3.45Å; I60-K64 PolarHBondContact O-N 3.45Å; N61-K64 WeakPolarHBondContact O-CB 3.43Å; N61-K64 PolarHBondContact O-N 3.41Å; N61-K64 VanDerWaalsContact O-N 3.09Å
65E89.8Confident90Very high142 Ų14266.6 Ų66.666%0.66434%0.34SS*.Hα-helixtrans-70.6-37.8-179.9-74.3176.8-153.700112.9N61 F62 I63 K67N61-E65 WeakPolarHBondContact O-CG 3.32Å; N61-E65 PolarHBondContact O-N 2.9Å; F62-E65 PolarHBondContact O-N 3.36Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.35Å; E65-K67 PolarHBondContact O-N 2.88Å; E65-K67 VanDerWaalsContact O-N 3.15Å
66T86.2Confident90Very high35 Ų3565.7 Ų65.722%0.21533%0.332CS..Hα-helixtrans-65.4-17.5-179.5-55.60000112.8C46 F62 I63 E68 I73C46-T66 HydrophobicContact CB-CG2 4.43Å; F62-T66 WeakPolarHBondContact CZ-OG1 3.23Å; F62-T66 WeakPolarHBondContact O-CB 3.46Å; F62-T66 PolarHBondContact O-N 2.88Å; F62-T66 PolarHBondContact O-OG1 3.46Å; I63-T66 PolarHBondContact O-N 2.98Å; T66-E68 HydrophobicContact CG2-CB 3.78Å; T66-E68 PolarHBondContact O-N 3.2Å; T66-E68 VanDerWaalsContact O-N 3.1Å; T66-I73 HydrophobicContact CG2-CD1 4.41Å
67K82.5Confident90.1Very high186 Ų18659.7 Ų59.781%0.80930%0.304SS*.THydrogen-bonded Turntrans51.828.4-176.8-63.1-178.6-179.6177.80113.6E65E65-K67 PolarHBondContact O-N 2.88Å; E65-K67 VanDerWaalsContact O-N 3.15Å
68E81.8Confident90.1Very high28 Ų2861.9 Ų61.913%0.13131%0.31CS..SBendtrans-110.2152.7-179.3-174.154.1-126.900108.9R47 T66 N72 I73R47-E68 IonicContact CZ-OE2 3.89Å; R47-E68 IonicContact NE-OE2 2.68Å; R47-E68 PolarHBondContact NE-OE2 3.4Å; R47-E68 IonicContact NH2-OE2 2.78Å; R47-E68 PolarHBondContact NH2-OE2 2.84Å; T66-E68 HydrophobicContact CG2-CB 3.78Å; T66-E68 PolarHBondContact O-N 3.2Å; T66-E68 VanDerWaalsContact O-N 3.1Å; E68-N72 HydrophobicContact CG-CB 3.9Å; E68-N72 VanDerWaalsContact OE1-CB 3.26Å; E68-N72 WeakPolarHBondContact OE1-CB 3.48Å; E68-N72 PolarHBondContact OE1-ND2 3.41Å; E68-I73 HydrophobicContact CB-CD1 4.24Å; E68-I73 HydrophobicContact CB-CG1 4.23Å; E68-I73 HydrophobicContact CG-CG1 4.06Å
69N84.2Confident89.9Confident105 Ų10563.4 Ų63.456%0.56132%0.316SS*.  trans-65.1136174.1-79.4-73.9000109.2S71 N72N69-S71 PolarHBondContact O-N 3.39Å; N69-S71 VanDerWaalsContact O-N 3.08Å; N69-N72 WeakPolarHBondContact O-CB 3.34Å; N69-N72 PolarHBondContact O-N 2.93Å
70P83.5Confident89.7Confident60 Ų6067.4 Ų67.439%0.3934%0.337SS..G310 helixtrans-56.3-31.7-179.721.1-32.5000112.4I63 N72 I73I63-P70 HydrophobicContact CG2-CB 4.07Å; P70-N72 PolarHBondContact O-N 3.44Å; P70-I73 PolarHBondContact O-N 2.93Å
71S85Confident88.7Confident113 Ų11375.1 Ų75.179%0.7937%0.372SS*.G310 helixtrans-63.1-20.9175.4-48.60000115N69N69-S71 PolarHBondContact O-N 3.39Å; N69-S71 VanDerWaalsContact O-N 3.08Å
72N88Confident86.7Confident97 Ų9775 Ų7552%0.51938%0.38SS..G310 helixtrans-98.3-3.5-178.9-66.4-9.9000112.6E68 N69 P70E68-N72 HydrophobicContact CG-CB 3.9Å; E68-N72 VanDerWaalsContact OE1-CB 3.26Å; E68-N72 WeakPolarHBondContact OE1-CB 3.48Å; E68-N72 PolarHBondContact OE1-ND2 3.41Å; N69-N72 WeakPolarHBondContact O-CB 3.34Å; N69-N72 PolarHBondContact O-N 2.93Å; P70-N72 PolarHBondContact O-N 3.44Å
73I90.8Very high84.2Confident7 Ų780.1 Ų80.14%0.03641%0.412CS..PPolyproline II helixtrans-97.3116.8176.6-58.5170.2000107.7A44 C46 F62 I63 T66 E68 P70 F75A44-I73 HydrophobicContact CB-CG2 4.1Å; C46-I73 HydrophobicContact CB-CG1 4.28Å; F62-I73 HydrophobicContact CE1-CG2 4.28Å; I63-I73 HydrophobicContact CB-CD1 4.29Å; I63-I73 HydrophobicContact CG1-CD1 3.88Å; I63-I73 HydrophobicContact CG2-CD1 4.16Å; T66-I73 HydrophobicContact CG2-CD1 4.41Å; E68-I73 HydrophobicContact CB-CD1 4.24Å; E68-I73 HydrophobicContact CB-CG1 4.23Å; E68-I73 HydrophobicContact CG-CG1 4.06Å; P70-I73 PolarHBondContact O-N 2.93Å; I73-F75 HydrophobicContact CB-CE2 4.36Å; I73-F75 HydrophobicContact CG2-CD2 4.19Å; I73-F75 HydrophobicContact CG2-CE1 4.24Å; I73-F75 HydrophobicContact CG2-CE2 3.69Å; I73-F75 HydrophobicContact CG2-CZ 3.71Å
74C91Very high81.6Confident47 Ų4782.8 Ų82.832%0.31843%0.432SS..EExtended strand (participates in β ladder)trans-100.5117.8173-1740000109.1S45S45-C74 PolarHBondContact N-O 2.89Å; S45-C74 PolarHBondContact O-N 3.45Å
75F95.4Very high79.4Confident1 Ų181.8 Ų81.80%0.00444%0.438CS..EExtended strand (participates in β ladder)trans-84.9146.7173-61.9-91.9000109.6I3 K4 V5 N6 L42 V43 A44 L53 I59 F62 I63 I73I3-F75 HydrophobicContact CB-CD2 3.96Å; I3-F75 HydrophobicContact CB-CE2 3.92Å; I3-F75 HydrophobicContact CD1-CD2 3.78Å; I3-F75 HydrophobicContact CD1-CE2 4.02Å; I3-F75 HydrophobicContact CD1-CG 4.1Å; I3-F75 HydrophobicContact CG1-CD2 4.24Å; I3-F75 HydrophobicContact CG1-CE2 4.5Å; I3-F75 HydrophobicContact CG2-CD2 4.41Å; I3-F75 HydrophobicContact CG2-CE2 3.86Å; K4-F75 PolarHBondContact O-N 3.4Å; V5-F75 CarbonylContact C-O 3.57Å; V5-F75 VanDerWaalsContact CA-O 3.31Å; V5-F75 WeakPolarHBondContact CA-O 3.27Å; V5-F75 HydrophobicContact CB-CB 4.37Å; V5-F75 HydrophobicContact CG1-CB 4.13Å; V5-F75 HydrophobicContact CG2-CB 4.04Å; N6-F75 PolarHBondContact N-O 3.35Å; L42-F75 HydrophobicContact CD1-CB 4.02Å; L42-F75 HydrophobicContact CD2-CB 4.49Å; L42-F75 HydrophobicContact CD2-CD1 3.8Å; L42-F75 HydrophobicContact CD2-CE1 4.48Å; L42-F75 HydrophobicContact CD2-CG 4.43Å; L42-F75 HydrophobicContact CG-CB 4.23Å; L42-F75 HydrophobicContact CG-CD1 4Å; V43-F75 CarbonylContact O-C 3.46Å; V43-F75 WeakPolarHBondContact O-CA 3.23Å; A44-F75 HydrophobicContact CB-CD1 4.1Å; A44-F75 HydrophobicContact CB-CE1 4.08Å; L53-F75 HydrophobicContact CD1-CD1 4.01Å; L53-F75 HydrophobicContact CD1-CE1 3.82Å; I59-F75 HydrophobicContact CG2-CE1 4.29Å; I59-F75 HydrophobicContact CG2-CZ 3.94Å; F62-F75 HydrophobicContact CD1-CE1 4.2Å; F62-F75 HydrophobicContact CD1-CZ 4.41Å; F62-F75 HydrophobicContact CE1-CE1 4.38Å; I63-F75 HydrophobicContact CD1-CE2 4.29Å; I63-F75 HydrophobicContact CD1-CZ 3.96Å; I63-F75 HydrophobicContact CG1-CZ 4.02Å; I73-F75 HydrophobicContact CB-CE2 4.36Å; I73-F75 HydrophobicContact CG2-CD2 4.19Å; I73-F75 HydrophobicContact CG2-CE1 4.24Å; I73-F75 HydrophobicContact CG2-CE2 3.69Å; I73-F75 HydrophobicContact CG2-CZ 3.71Å
76I94.8Very high77.1Confident36 Ų3680.8 Ų80.819%0.18543%0.431CS..EExtended strand (participates in β ladder)trans-132.2121.8-178-52.3173.4000107.4N6 V43 R78N6-I76 HydrophobicContact CB-CG1 4.35Å; N6-I76 WeakPolarHBondContact O-CA 3.4Å; V43-I76 HydrophobicContact CB-CB 4.38Å; V43-I76 PolarHBondContact N-O 3.35Å; V43-I76 PolarHBondContact O-N 3.42Å; I76-R78 PolarHBondContact O-N 2.93Å
77L95.3Very high74.7Confident5 Ų582.8 Ų82.83%0.02645%0.447CS..EExtended strand (participates in β ladder)trans-80.8103.5173.4-170.269.5000108.2V5 N6 I7 I27 L30 L36 Y40 L42V5-L77 HydrophobicContact CG1-CB 4.22Å; N6-L77 PolarHBondContact O-N 2.97Å; I7-L77 HydrophobicContact CD1-CD2 4.01Å; I7-L77 HydrophobicContact CG1-CB 3.98Å; I7-L77 HydrophobicContact CG1-CD2 4.18Å; I7-L77 HydrophobicContact CG2-CD2 4.17Å; I27-L77 HydrophobicContact CB-CD1 4.36Å; I27-L77 HydrophobicContact CG1-CD1 3.96Å; I27-L77 HydrophobicContact CG2-CD1 4.24Å; L30-L77 HydrophobicContact CB-CD2 4.04Å; L36-L77 HydrophobicContact CD1-CD2 4.13Å; Y40-L77 HydrophobicContact CD1-CD1 4.49Å; Y40-L77 HydrophobicContact CD1-CD2 4.21Å; Y40-L77 HydrophobicContact CD1-CG 3.93Å; Y40-L77 HydrophobicContact CG-CD1 4.46Å; Y40-L77 HydrophobicContact CG-CG 4.36Å; L42-L77 HydrophobicContact CD1-CD1 4.45Å
78R94Very high72.6Confident99 Ų9979.2 Ų79.237%0.37444%0.443SS..EExtended strand (participates in β ladder)trans-99.4125.9-178.6-174.5169.2-70.6163.21109.1Y40 T41 V43 E50 I76 L80Y40-R78 CarbonylContact C-O 3.59Å; Y40-R78 WeakPolarHBondContact CA-O 3.46Å; T41-R78 HydrophobicContact CG2-CB 4.1Å; T41-R78 PolarHBondContact N-O 3.35Å; T41-R78 PolarHBondContact O-N 3.49Å; V43-R78 HydrophobicContact CG2-CB 3.97Å; E50-R78 VanDerWaalsContact CD-NH2 3.29Å; E50-R78 IonicContact OE1-NH2 2.79Å; E50-R78 PolarHBondContact OE1-NH2 3.45Å; E50-R78 VanDerWaalsContact OE1-NH2 3.13Å; E50-R78 IonicContact OE2-CZ 3.3Å; E50-R78 VanDerWaalsContact OE2-CZ 3.26Å; E50-R78 IonicContact OE2-NH1 3.1Å; E50-R78 PolarHBondContact OE2-NH1 3.43Å; E50-R78 IonicContact OE2-NH2 3.12Å; E50-R78 PolarHBondContact OE2-NH2 3.29Å; I76-R78 PolarHBondContact O-N 2.93Å; R78-L80 PolarHBondContact O-N 3Å
79R91.8Very high70.5Confident147 Ų14787.1 Ų87.156%0.55548%0.476SS*.EExtended strand (participates in β ladder)trans-63.1122.1171.1-165.6178-165.9-1684.4108.5P37 Y40 E81P37-R79 PolarHBondContact O-NH2 3.25Å; Y40-R79 VanDerWaalsContact CD1-CA 3.47Å; Y40-R79 HydrophobicContact CD1-CB 3.98Å; Y40-R79 HydrophobicContact CD1-CG 4.29Å; Y40-R79 HydrophobicContact CE1-CB 3.62Å; Y40-R79 HydrophobicContact CE1-CG 3.75Å; R79-E81 PolarHBondContact O-N 2.99Å
80L88Confident68.5Low83 Ų8389.8 Ų89.844%0.43549%0.489SS..EExtended strand (participates in β ladder)trans-72.3116.2162-69.9164000105.2F39 T41 R78 A82F39-L80 HydrophobicContact CB-CB 3.93Å; F39-L80 HydrophobicContact CB-CD1 4.11Å; F39-L80 PolarHBondContact O-N 3.34Å; T41-L80 HydrophobicContact CG2-CD2 3.87Å; T41-L80 HydrophobicContact CG2-CG 4.01Å; R78-L80 PolarHBondContact O-N 3Å; L80-A82 PolarHBondContact O-N 2.99Å
81E72.4Confident66.7Low182 Ų18292.2 Ų92.285%0.8551%0.505SS*.  trans-54.5114.2164.6-69.1-166.8168.700106.5R79 V83R79-E81 PolarHBondContact O-N 2.99Å; E81-V83 PolarHBondContact O-N 2.89Å
82A50.3Low64.7Low60 Ų6096.3 Ų96.350%0.49651%0.508SS..  trans-56.3124.5-176.800000106.7F39 L80 S84F39-A82 HydrophobicContact CD2-CB 4.02Å; F39-A82 HydrophobicContact CE2-CB 4.45Å; L80-A82 PolarHBondContact O-N 2.99Å; A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.49Å
83V40.9Very low62.1Low116 Ų11695.9 Ų95.970%0.70352%0.519SS*.  trans-53.5105.9163.9-173.70000104.4E81E81-V83 PolarHBondContact O-N 2.89Å
84S37Very low59.9Low71 Ų71106.2 Ų106.250%0.49756%0.559SS.*  trans-47.2134.8171.31740000105.7A82 F86 S87A82-S84 VanDerWaalsContact C-N 3.27Å; A82-S84 PolarHBondContact O-N 3.49Å; S84-F86 PolarHBondContact O-N 3.13Å; S84-S87 PolarHBondContact O-N 3.34Å
85P44.3Very low57.7Low98 Ų98109.2 Ų109.264%0.63658%0.578SS**THydrogen-bonded Turntrans-58.88.2-176.9-28.836.9000115.9
86F41.4Very low55Low121 Ų121115.2 Ų115.253%0.53162%0.617SS.*THydrogen-bonded Turntrans-13227.2178.3-59.4-73.9000113.7S84 P88 I203S84-F86 PolarHBondContact O-N 3.13Å; F86-P88 VanDerWaalsContact O-CD 3.27Å; F86-P88 WeakPolarHBondContact O-CD 3.48Å; F86-I203 HydrophobicContact CD2-CG2 3.78Å; F86-I203 HydrophobicContact CE2-CG2 3.37Å; F86-I203 HydrophobicContact CZ-CG2 3.87Å
87S35.8Very low52.8Low77 Ų77120 Ų12054%0.53865%0.647SS.*  trans-68.2118162-170.40000108.6S84 K89S84-S87 PolarHBondContact O-N 3.34Å; S87-K89 PolarHBondContact O-N 2.89Å
88P39.1Very low50.4Low111 Ų111125.2 Ų125.272%0.72168%0.681SS**  trans-66.4114.2-178.7-16.230.4000108.7F86 I90F86-P88 VanDerWaalsContact O-CD 3.27Å; F86-P88 WeakPolarHBondContact O-CD 3.48Å; P88-I90 PolarHBondContact O-N 2.9Å
89K38.6Very low47.6Very low193 Ų193127.6 Ų127.684%0.83970%0.701SS**  trans-54.6114.1163.6-68.6178.6179.8178.40106.9S87 P91S87-K89 PolarHBondContact O-N 2.89Å; K89-P91 WeakPolarHBondContact O-CD 3.5Å; K89-P91 WeakPolarHBondContact O-CG 3.48Å; K89-P91 VanDerWaalsContact O-N 3.09Å
90I40.9Very low45.3Very low161 Ų161129.3 Ų129.383%0.82672%0.715SS**  trans-62106.1164.4-61.4169.7000106P88 K92P88-I90 PolarHBondContact O-N 2.9Å; I90-K92 PolarHBondContact O-N 3.49Å
91P46Very low43.1Very low112 Ų112133.7 Ų133.773%0.72773%0.734SS**  trans-80.6124.7178.9-3.724.9000106.7K89 A93K89-P91 WeakPolarHBondContact O-CD 3.5Å; K89-P91 WeakPolarHBondContact O-CG 3.48Å; K89-P91 VanDerWaalsContact O-N 3.09Å; P91-A93 PolarHBondContact O-N 3.29Å; P91-A93 VanDerWaalsContact O-N 3.11Å
92K43.5Very low41.5Very low198 Ų198130.8 Ų130.886%0.86173%0.731SS**  trans-57.9119.6174.6-70.2176.9177.5177.30109.5I90I90-K92 PolarHBondContact O-N 3.49Å
93A34Very low41.1Very low89 Ų89134.5 Ų134.574%0.73675%0.747SS**  trans2.9108.4165.300000118.3P91P91-A93 PolarHBondContact O-N 3.29Å; P91-A93 VanDerWaalsContact O-N 3.11Å
94Y42.7Very low41.2Very low223 Ų223133.6 Ų133.688%0.87575%0.746SS**  trans-140.9151.2149-76.1-71.3000109.8
95P46.3Very low41.4Very low111 Ų111141.5 Ų141.572%0.72177%0.765SS**  trans-87.7166-152.233.9-37.5000116
96P38.7Very low41.2Very low126 Ų126141.7 Ų141.782%0.81877%0.766SS**  trans-86.2150.4-169.634.8-36.4000114.5
97V48.6Very low41.1Very low137 Ų137144.5 Ų144.583%0.8378%0.781SS**  trans-135.4143.3172.9178.70000109.2
98P43.8Very low41.4Very low114 Ų114150.2 Ų150.274%0.7480%0.799SS**  trans-90.3165.4-144.3-1533.1000119.4
99N34.7Very low41.3Very low149 Ų149153.8 Ų153.880%0.79781%0.806SS**  trans-51.7133.8172.3-163.617.3000114.8
100H44.8Very low41.7Very low183 Ų183149.5 Ų149.585%0.84780%0.798SS**  trans-134.8126.7160.3-80.5-67.5000111.7
101Q41.3Very low41.7Very low175 Ų175146.6 Ų146.682%0.81879%0.792SS**  trans-83146-171.5-170.21761400111.8
102P38.8Very low41.5Very low121 Ų121152.6 Ų152.679%0.78680%0.8SS**  trans-73.9141.6-177.629.9-35.6000112.4
103T42.9Very low41.5Very low138 Ų138148.3 Ų148.385%0.84780%0.795SS**  trans-126.7135.4169.1-65.40000110.7
104S42.2Very low42.1Very low97 Ų97149.3 Ų149.368%0.67880%0.797SS**  trans-76.1155.3-177.852.80000113.9
105R40.8Very low42.2Very low238 Ų238144 Ų14490%0.89879%0.792SS**  178.4164.4122.1-94.6174.4-179.4-146.3-1.5112.4
106P40.3Very low42.1Very low102 Ų102150 Ų15066%0.66280%0.8SS**  trans-125.1-178.6-141.745.1-35000116.6
107H38.8Very low42.3Very low179 Ų179154.4 Ų154.483%0.82980%0.8SS**  trans64.6116.2153-75.1-14.2000120
108Q42.9Very low42.3Very low198 Ų198152 Ų15293%0.92579%0.79SS**  -161.7131.7116.8-104.916536.900112.4
109Q37.9Very low42.4Very low185 Ų185154.1 Ų154.186%0.86480%0.795SS**  trans-102.1178.2159.9-89.7-167.5-2200107.5
110P45.8Very low43Very low103 Ų103153.8 Ų153.867%0.66980%0.798SS**  cis-148.5-177.320.243.8-23.7000118.8
111S40.6Very low42.9Very low100 Ų100150.4 Ų150.470%0.69979%0.792SS**  trans74.9145.8148.985.70000117.7
112R43.3Very low42.8Very low239 Ų239147.9 Ų147.990%0.90279%0.788SS**  cis-131.6-162.80.9-58.8174.8163.5139.2-3.5108.1
113S42.2Very low42.9Very low108 Ų108147.8 Ų147.876%0.75579%0.786SS**  cis-157.3146.43.145.70000113.3
114S47Very low43Very low110 Ų110146 Ų14677%0.76978%0.779SS**  trans-9.9133.4161.3-49.90000122.8
115S44.1Very low43Very low110 Ų110148.5 Ų148.577%0.76978%0.78SS**  -177.6126100-79.20000115.7
116R44.1Very low43Very low237 Ų237143 Ų14389%0.89477%0.768SS**  27.5138.8126.3-68.5-178.8-175.7-151.1-1.2118.9
117R43.8Very low43Very low219 Ų219145.7 Ų145.783%0.82677%0.769SS**  cis-150.3134.721.2-99.6171.9167.4161-7107.8
118S47.3Very low42.9Very low87 Ų87143.7 Ų143.761%0.60876%0.761SS**  52.299.783.683.10000117.2
119N46Very low42.8Very low159 Ų159141.5 Ų141.585%0.8575%0.754SS**  176.4164106.5-86.52000113.8
120V48Very low42.4Very low142 Ų142138 Ų13886%0.86175%0.749SS**  trans-110160.7-163.91640000110.4
121P43.6Very low42Very low111 Ų111138.2 Ų138.272%0.72175%0.753SS**  trans-109.3-146.2-154.642.2-33000114.2
122V38.5Very low41.9Very low122 Ų122138.5 Ų138.574%0.73976%0.755SS**  trans103.1156.2166.6-170.60000115.7
123T41Very low41.7Very low120 Ų120133.8 Ų133.874%0.73675%0.753SS**  trans85.9103.4178.568.40000114.2
124S44.9Very low41.5Very low100 Ų100133.7 Ų133.770%0.69975%0.752SS**  94.3153.979.473.90000110.1
125E41.4Very low41.3Very low149 Ų149133.9 Ų133.970%0.69675%0.754SS**  cis-172.6163.514.8-140171.6-13600109.5
126N40.9Very low41.1Very low122 Ų122133.5 Ų133.565%0.65275%0.751SS**  trans64.9156152.6-57.3-34.1000119.9
127K41.4Very low41.1Very low159 Ų159130.3 Ų130.369%0.69175%0.751SS**  cis-160149.8-15-119-177.2176.9-124.50111.4
128E36.5Very low41Very low138 Ų138125.3 Ų125.365%0.64575%0.747SS**  trans20.3138.7141.3-60.7173.4127.500123
129L40.3Very low40.5Very low151 Ų151128.6 Ų128.679%0.79176%0.756SS**  158.7112.3116.3-91.3126.6000109.5
130C30.4Very low40.2Very low111 Ų111126.8 Ų126.875%0.7575%0.753SS**  61.5133.799.4-56.20000114.2
131S37.3Very low39.4Very low108 Ų108124.1 Ų124.176%0.75575%0.746SS**  cis-163.3146.436.6-470000114.4
132S37.8Very low39.2Very low106 Ų106127.8 Ų127.874%0.74175%0.753SS**  trans34.8124.1135.5-47.60000123.3
133T38.6Very low39.1Very low140 Ų140130.9 Ų130.986%0.85976%0.759SS**  161.9153116.5370000110
134S38.9Very low38.3Very low106 Ų106131.1 Ų131.174%0.74176%0.764SS**  cis161.5103.7-29.6-90.50000106.5
135S42.2Very low37.9Very low114 Ų114133.5 Ų133.580%0.79777%0.774SS**  trans163111.6155420000109.1
136S41.1Very low37.3Very low103 Ų103131.4 Ų131.472%0.7278%0.776SS**  94.994.452.369.70000114.5
137L43.4Very low36.9Very low169 Ų169131.6 Ų131.689%0.88579%0.787SS**  trans47.9168.2130.2-64.2174.7000121.2
138P41Very low36.5Very low114 Ų114130.2 Ų130.274%0.7479%0.792SS**  cis-131.7-179.3-8.6240.9000115.6
139I38Very low36.8Very low156 Ų156133.4 Ų133.480%0.880%0.804SS**  trans-71.1154168.1-59.5152.8000111.7
140P38.6Very low36.6Very low122 Ų122135.3 Ų135.379%0.79281%0.809SS**  trans-127.6140142.530.5-16.2000113.7
141A32.2Very low36.9Very low86 Ų86135.4 Ų135.471%0.71181%0.811SS**  trans-92146.9175.600000112
142Q39.5Very low37Very low188 Ų188140 Ų14088%0.87981%0.811SS**  trans-138.8104.1162-67.7-171.6-12.100107.8
143H35Very low37.1Very low187 Ų187142.2 Ų142.287%0.86681%0.813SS**  80.2113.487.2-102.8-113.7000114.2
144C24.9Very low37.2Very low124 Ų124145 Ų14584%0.83881%0.81SS**  trans-72.2147175.8-53.50000112.2
145V36.2Very low37.1Very low150 Ų150149 Ų14991%0.90981%0.808SS**  trans-138.4138.8141.1-820000109.9
146S29.3Very low36.8Very low105 Ų105149.5 Ų149.573%0.73481%0.81SS**  trans-78.4146.1-170.9450000114.1
147S32.4Very low36.6Very low126 Ų126152.1 Ų152.188%0.88182%0.817SS**  trans-140.593.9157.4-94.10000111.6K149S147-K149 PolarHBondContact O-N 3.46Å
148T32.3Very low36.4Very low131 Ų131149.3 Ų149.380%0.80481%0.809SS**  trans-80.3103176-49.10000110
149K43.4Very low36.3Very low205 Ų205149.6 Ų149.689%0.89181%0.813SS**  trans-134.8128.2160.9-74.6-168178.5178.50111.4S147S147-K149 PolarHBondContact O-N 3.46Å
150Q35.9Very low36.2Very low191 Ų191147.8 Ų147.889%0.89381%0.813SS**  trans-64.7140.8-175.1-60.4146.6-31.100111.6
151S36.7Very low36Very low113 Ų113149.8 Ų149.879%0.7981%0.812SS**  trans-158.6104130.6-149.50000113.7
152R40.1Very low36.3Very low204 Ų204154 Ų15477%0.7782%0.821SS**  trans34.795.3140.6-153.6172.2-66-138.50.5118.4
153I40.6Very low36.3Very low152 Ų152152 Ų15278%0.77982%0.815SS**PPolyproline II helixtrans-67.7128.3160.2-62.2168000109R155I153-R155 HydrophobicContact CG2-CG 4.3Å
154Y39.5Very low36.5Very low199 Ų199152 Ų15278%0.7882%0.815SS**PPolyproline II helixtrans-92.5117.8157.9-80.1-84000108.5
155R37.6Very low36.8Very low189 Ų189151.6 Ų151.671%0.71381%0.814SS**PPolyproline II helixtrans-88.6137.5162.2-74.4-169.1-179179.21.9108.4I153I153-R155 HydrophobicContact CG2-CG 4.3Å
156C35.9Very low37Very low125 Ų125149.9 Ų149.985%0.84581%0.808SS**PPolyproline II helixtrans-90.9128.8157.6-71.30000108.5
157D36.6Very low37.6Very low159 Ų159152.6 Ų152.685%0.8581%0.814SS**PPolyproline II helixtrans-82.4131.2164.5-86.1-41.9000110
158P38.3Very low38.1Very low110 Ų110152.3 Ų152.371%0.71481%0.807SS**PPolyproline II helixtrans-102.3125.9160.234.2-24.9000110.5
159S38.4Very low38.5Very low119 Ų119151.2 Ų151.283%0.83280%0.8SS**  trans150.796.5139.8-66.30000111.8
160C36.3Very low38.2Very low118 Ų118146.9 Ų146.980%0.79780%0.795SS**  trans-77.7-175.8147.8-68.60000109.7
161E34.6Very low38.6Very low164 Ų164142.7 Ų142.777%0.76679%0.793SS**  trans8282.1173.1-53.9-55.1139.300116.7
162L38.3Very low38.8Very low174 Ų174142.6 Ų142.691%0.91180%0.8SS**  trans-154.364.3152.8-112.7159.3000110.8
163I39Very low39Very low147 Ų147136.1 Ų136.175%0.75480%0.796SS**  trans-132.887.6166.9-52.7179.2000109.2
164H39.1Very low39.3Very low187 Ų187137.7 Ų137.787%0.86680%0.8SS**  trans-131.5105.8162.7-99.1-97.9000109.8
165S31.9Very low39.7Very low116 Ų116137.4 Ų137.481%0.81181%0.806SS**  trans-63.7143.7177.7-56.10000112.5
166S40.4Very low40.3Very low113 Ų113138.3 Ų138.379%0.7982%0.815SS**  trans-150.5106.9151.2-176.80000109.5
167L41.3Very low41.2Very low162 Ų162136 Ų13685%0.84880%0.8SS**  trans-99110177.9-179142.7000108.3
168V43.2Very low42.1Very low121 Ų121137.3 Ų137.373%0.73379%0.794SS**  trans-137.696.4171.1-170.90000110.9
169T41.2Very low43.2Very low107 Ų107139.8 Ų139.866%0.65680%0.796SS**  trans28.7109.7131.9-37.70000119.6
170S38.1Very low44.8Very low115 Ų115139.6 Ų139.680%0.80479%0.786SS**  trans28.6114.7133.2-42.80000120.4
171A42.7Very low46.7Very low103 Ų103137.3 Ų137.385%0.85177%0.768SS**  -170.8154.3121.500000111.1
172A42.1Very low48.9Very low111 Ų111133.8 Ų133.892%0.91776%0.755SS**  trans-71.2143.417900000112.8
173G43.1Very low51.2Low67 Ų67131 Ų13169%0.69174%0.737SS**  trans145.5122.6162.900000115
174E48Very low53.5Low186 Ų186131.2 Ų131.287%0.86973%0.729SS**  trans68.568150.1-51.6-173.2166.900118.4K176E174-K176 PolarHBondContact O-N 2.98Å
175E48.6Very low55.6Low192 Ų192125.5 Ų125.590%0.89771%0.705SS**THydrogen-bonded Turntrans-64.427.1168.2-64.1-172.4133.400115.4
176K48.7Very low58.4Low209 Ų209126.4 Ų126.491%0.90970%0.696SS**THydrogen-bonded Turntrans-104.23.9-174.2-99.5-179.9177.1177.10116.3E174E174-K176 PolarHBondContact O-N 2.98Å
177S54.9Low60.8Low77 Ų77125.7 Ų125.754%0.53868%0.683SS.*SBendtrans-106.7-16.8-179.1-160.80000114.9H179S177-H179 PolarHBondContact O-N 2.94Å
178Y55Low63.1Low185 Ų185123.7 Ų123.773%0.72567%0.668SS**Hα-helixtrans-65.3-36.6-169.5-98.5-90.4000114.7D180 V181 D182Y178-D180 PolarHBondContact O-N 3.4Å; Y178-V181 PolarHBondContact O-N 3.45Å; Y178-D182 PolarHBondContact O-N 2.91Å
179H61.5Low65.3Low163 Ų163123.3 Ų123.376%0.75566%0.661SS**Hα-helixtrans-70.7-30.7-175.1-127.925.8000113.9S177 Q183S177-H179 PolarHBondContact O-N 2.94Å; H179-Q183 WeakPolarHBondContact O-CB 3.49Å; H179-Q183 PolarHBondContact O-N 2.84Å; H179-Q183 VanDerWaalsContact O-N 3.08Å
180D73.1Confident67.7Low115 Ų115123.5 Ų123.562%0.61566%0.655SS**Hα-helixtrans-72-33.5176.6-167.346.8000111.1Y178 Q183 Y184Y178-D180 PolarHBondContact O-N 3.4Å; D180-Q183 PolarHBondContact O-N 3.49Å; D180-Y184 VanDerWaalsContact O-CB 3.24Å; D180-Y184 WeakPolarHBondContact O-CB 3.35Å; D180-Y184 PolarHBondContact O-N 3.28Å
181V76Confident70.2Confident70 Ų70122.9 Ų122.942%0.42464%0.642SS.*Hα-helixtrans-66.3-43.8174.41780000111.3Y178 Y184 N185Y178-V181 PolarHBondContact O-N 3.45Å; V181-Y184 PolarHBondContact O-N 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.38Å; V181-N185 VanDerWaalsContact O-CG 3.25Å; V181-N185 PolarHBondContact O-N 3.45Å; V181-N185 PolarHBondContact O-ND2 2.92Å; V181-N185 VanDerWaalsContact O-ND2 3.08Å
182D80.6Confident72.5Confident90 Ų90120.3 Ų120.348%0.48162%0.621SS.*Hα-helixtrans-63.3-43.9175.6-67.9-29.2000111.5Y178 N185 Q186Y178-D182 PolarHBondContact O-N 2.91Å; D182-N185 PolarHBondContact O-N 2.91Å; D182-Q186 WeakPolarHBondContact O-CB 3.41Å; D182-Q186 PolarHBondContact O-N 3.26Å
183Q86.1Confident74.9Confident116 Ų116121.7 Ų121.754%0.54260%0.604SS.*Hα-helixtrans-64.5-40.9176.7-173.2174.5-3.700112.1H179 D180 Q186 L187H179-Q183 WeakPolarHBondContact O-CB 3.49Å; H179-Q183 PolarHBondContact O-N 2.84Å; H179-Q183 VanDerWaalsContact O-N 3.08Å; D180-Q183 PolarHBondContact O-N 3.49Å; Q183-Q186 PolarHBondContact O-N 3.15Å; Q183-L187 HydrophobicContact CG-CD1 4.1Å; Q183-L187 WeakPolarHBondContact O-CB 3.46Å; Q183-L187 WeakPolarHBondContact O-CG 3.13Å; Q183-L187 PolarHBondContact O-N 3.46Å
184Y87Confident77.2Confident151 Ų151124.2 Ų124.259%0.59260%0.597SS**Hα-helixtrans-63-43.5174.7176.8-96.3000112.1D180 V181 L187 K188D180-Y184 VanDerWaalsContact O-CB 3.24Å; D180-Y184 WeakPolarHBondContact O-CB 3.35Å; D180-Y184 PolarHBondContact O-N 3.28Å; V181-Y184 PolarHBondContact O-N 3.41Å; Y184-L187 PolarHBondContact O-N 2.91Å; Y184-K188 HydrophobicContact CE1-CD 4.36Å; Y184-K188 VanDerWaalsContact O-CB 3.25Å; Y184-K188 WeakPolarHBondContact O-CB 3.37Å; Y184-K188 PolarHBondContact O-N 3.34Å
185N85.2Confident79.3Confident66 Ų66121.5 Ų121.535%0.35358%0.584SS.*Hα-helixtrans-63.3-44.5175.8-71.6-35.7000111.2V181 D182 L187 K188 D189V181-N185 WeakPolarHBondContact O-CB 3.38Å; V181-N185 VanDerWaalsContact O-CG 3.25Å; V181-N185 PolarHBondContact O-N 3.45Å; V181-N185 PolarHBondContact O-ND2 2.92Å; V181-N185 VanDerWaalsContact O-ND2 3.08Å; D182-N185 PolarHBondContact O-N 2.91Å; N185-L187 PolarHBondContact O-N 3.4Å; N185-K188 WeakPolarHBondContact O-CB 3.43Å; N185-K188 PolarHBondContact O-N 2.96Å; N185-D189 PolarHBondContact O-N 3Å
186Q89.1Confident81.4Confident135 Ų135117.9 Ų117.963%0.63157%0.568SS**Hα-helixtrans-61-43176-171.8178.818.500112.4D182 Q183 Q190D182-Q186 WeakPolarHBondContact O-CB 3.41Å; D182-Q186 PolarHBondContact O-N 3.26Å; Q183-Q186 PolarHBondContact O-N 3.15Å; Q186-Q190 WeakPolarHBondContact O-CB 2.97Å; Q186-Q190 PolarHBondContact O-N 3.49Å
187L91Very high83.4Confident99 Ų99111.1 Ų111.152%0.51854%0.539SS..Hα-helixtrans-63.8-40.4174.9-82.1161.7000112.1Q183 Y184 N185 Q190 L191Q183-L187 HydrophobicContact CG-CD1 4.1Å; Q183-L187 WeakPolarHBondContact O-CB 3.46Å; Q183-L187 WeakPolarHBondContact O-CG 3.13Å; Q183-L187 PolarHBondContact O-N 3.46Å; Y184-L187 PolarHBondContact O-N 2.91Å; N185-L187 PolarHBondContact O-N 3.4Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 3.02Å
188K89.1Confident85.2Confident120 Ų120112.1 Ų112.152%0.52254%0.542SS..Hα-helixtrans-65.1-44.2177.6-178.5-173.3174.5-1650111.8Y184 N185 L191 A192Y184-K188 HydrophobicContact CE1-CD 4.36Å; Y184-K188 VanDerWaalsContact O-CB 3.25Å; Y184-K188 WeakPolarHBondContact O-CB 3.37Å; Y184-K188 PolarHBondContact O-N 3.34Å; N185-K188 WeakPolarHBondContact O-CB 3.43Å; N185-K188 PolarHBondContact O-N 2.96Å; K188-L191 PolarHBondContact O-N 3.45Å; K188-A192 WeakPolarHBondContact O-CB 3.37Å; K188-A192 PolarHBondContact O-N 3.02Å
189D89.8Confident86.9Confident112 Ų112107.6 Ų107.660%0.59953%0.527SS*.Hα-helixtrans-66.5-39.9176.7-69.5-14.7000111.3N185 L191 A192 Y193N185-D189 PolarHBondContact O-N 3Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3.1Å; D189-A192 PolarHBondContact O-N 3.39Å; D189-Y193 WeakPolarHBondContact O-CB 3.44Å; D189-Y193 PolarHBondContact O-N 3.04Å
190Q91.8Very high88.3Confident111 Ų111104 Ų10452%0.51951%0.513SS..Hα-helixtrans-63.5-38.8173.3-177.6175.3-22.400112.1Q186 L187 Y193 Q194Q186-Q190 WeakPolarHBondContact O-CB 2.97Å; Q186-Q190 PolarHBondContact O-N 3.49Å; L187-Q190 PolarHBondContact O-N 3.47Å; Q190-Y193 PolarHBondContact O-N 2.87Å; Q190-Q194 WeakPolarHBondContact O-CG 3.31Å; Q190-Q194 PolarHBondContact O-N 3.4Å
191L91.3Very high89.2Confident103 Ų103102.4 Ų102.454%0.53951%0.505SS..Hα-helixtrans-68.4-45.1177.1-167.3132.4000111.2L187 K188 D189 Y193 Q194 E195L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 3.02Å; K188-L191 PolarHBondContact O-N 3.45Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-L191 PolarHBondContact O-N 3.1Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-Y193 PolarHBondContact O-N 3.11Å; L191-Q194 PolarHBondContact O-N 2.99Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; L191-E195 HydrophobicContact CD2-CG 4.28Å; L191-E195 WeakPolarHBondContact O-CG 3.4Å; L191-E195 PolarHBondContact O-N 3.46Å
192A91.3Very high90Very high49 Ų49106.2 Ų106.241%0.40551%0.512SS..Hα-helixtrans-59.1-40.6174.100000112.3K188 D189 E195 Q196K188-A192 WeakPolarHBondContact O-CB 3.37Å; K188-A192 PolarHBondContact O-N 3.02Å; D189-A192 PolarHBondContact O-N 3.39Å; A192-E195 PolarHBondContact O-N 3.12Å; A192-Q196 WeakPolarHBondContact O-CB 3.3Å; A192-Q196 PolarHBondContact O-N 3.26Å
193Y92Very high90.5Very high140 Ų140104.1 Ų104.155%0.54950%0.5SS..Hα-helixtrans-61.7-44.2172.9177.9-94.9000111.9D189 Q190 L191 Q196 Q197D189-Y193 WeakPolarHBondContact O-CB 3.44Å; D189-Y193 PolarHBondContact O-N 3.04Å; Q190-Y193 PolarHBondContact O-N 2.87Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-Y193 PolarHBondContact O-N 3.11Å; Y193-Q196 PolarHBondContact O-N 3.42Å; Y193-Q197 HydrophobicContact CD1-CG 4.24Å; Y193-Q197 HydrophobicContact CE1-CG 3.84Å; Y193-Q197 HydrophobicContact CE2-CG 4.48Å; Y193-Q197 WeakPolarHBondContact O-CG 3.35Å; Y193-Q197 PolarHBondContact O-N 2.79Å; Y193-Q197 PolarHBondContact OH-NE2 3.48Å
194Q91.7Very high90.8Very high120 Ų120106.7 Ų106.756%0.56151%0.505SS*.Hα-helixtrans-67.4-40.2177.8-71.9-154-2.400112.8Q190 L191 Q196 Q197 V198Q190-Q194 WeakPolarHBondContact O-CG 3.31Å; Q190-Q194 PolarHBondContact O-N 3.4Å; L191-Q194 PolarHBondContact O-N 2.99Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; Q194-Q196 VanDerWaalsContact C-N 3.33Å; Q194-Q196 PolarHBondContact O-N 2.86Å; Q194-Q197 PolarHBondContact O-N 2.91Å; Q194-V198 WeakPolarHBondContact O-CG2 3.31Å; Q194-V198 PolarHBondContact O-N 2.81Å
195E91.7Very high91Very high128 Ų128105.1 Ų105.160%0.59851%0.506SS*.Hα-helixtrans-58.7-44.2173.5-72.3-177.9157.500111.3L191 A192 Q197 V198 E199L191-E195 HydrophobicContact CD2-CG 4.28Å; L191-E195 WeakPolarHBondContact O-CG 3.4Å; L191-E195 PolarHBondContact O-N 3.46Å; A192-E195 PolarHBondContact O-N 3.12Å; E195-Q197 PolarHBondContact O-N 2.94Å; E195-V198 PolarHBondContact O-N 3.22Å; E195-E199 PolarHBondContact O-N 3.04Å
196Q93.2Very high91.4Very high116 Ų116106.1 Ų106.154%0.54251%0.511SS..Hα-helixtrans-61.1-41.8175-170.6-1751800112.4A192 Y193 Q194 E199 L200A192-Q196 WeakPolarHBondContact O-CB 3.3Å; A192-Q196 PolarHBondContact O-N 3.26Å; Y193-Q196 PolarHBondContact O-N 3.42Å; Q194-Q196 VanDerWaalsContact C-N 3.33Å; Q194-Q196 PolarHBondContact O-N 2.86Å; Q196-E199 PolarHBondContact O-N 2.96Å; Q196-L200 HydrophobicContact CG-CD1 4.33Å; Q196-L200 WeakPolarHBondContact O-CB 3.37Å; Q196-L200 WeakPolarHBondContact O-CG 3.41Å; Q196-L200 PolarHBondContact O-N 3.13Å
197Q90.7Very high91.6Very high68 Ų68105.8 Ų105.832%0.31850%0.504SS..Hα-helixtrans-67.1-37.2176.2-68.4-61.5-24.500112.3Y193 Q194 E195 N201Y193-Q197 HydrophobicContact CD1-CG 4.24Å; Y193-Q197 HydrophobicContact CE1-CG 3.84Å; Y193-Q197 HydrophobicContact CE2-CG 4.48Å; Y193-Q197 WeakPolarHBondContact O-CG 3.35Å; Y193-Q197 PolarHBondContact O-N 2.79Å; Y193-Q197 PolarHBondContact OH-NE2 3.48Å; Q194-Q197 PolarHBondContact O-N 2.91Å; E195-Q197 PolarHBondContact O-N 2.94Å; Q197-N201 WeakPolarHBondContact O-CB 3.46Å; Q197-N201 PolarHBondContact O-N 3.04Å; Q197-N201 PolarHBondContact O-ND2 3.2Å
198V91.9Very high91.6Very high98 Ų98104.8 Ų104.859%0.59450%0.498SS*.Hα-helixtrans-64.2-43.4174.1169.60000110.6Q194 E195 N201 R202Q194-V198 WeakPolarHBondContact O-CG2 3.31Å; Q194-V198 PolarHBondContact O-N 2.81Å; E195-V198 PolarHBondContact O-N 3.22Å; V198-N201 PolarHBondContact O-N 3.32Å; V198-R202 WeakPolarHBondContact O-CB 3.4Å; V198-R202 PolarHBondContact O-N 3.1Å
199E92Very high91.7Very high90 Ų90103.2 Ų103.242%0.42150%0.496SS..Hα-helixtrans-68.5-39.1178.1-170.255.9-149.900112.4E195 Q196 N201 R202 I203E195-E199 PolarHBondContact O-N 3.04Å; Q196-E199 PolarHBondContact O-N 2.96Å; E199-N201 VanDerWaalsContact C-N 3.33Å; E199-N201 PolarHBondContact O-N 3.3Å; E199-R202 WeakPolarHBondContact O-CB 3.49Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-R202 WeakPolarHBondContact OE2-CD 3.27Å; E199-I203 HydrophobicContact CG-CD1 4.23Å; E199-I203 VanDerWaalsContact O-CG1 3.31Å; E199-I203 WeakPolarHBondContact O-CG1 3.33Å; E199-I203 PolarHBondContact O-N 3.45Å
200L90.2Very high91.7Very high88 Ų88105.3 Ų105.346%0.46150%0.499SS..Hα-helixtrans-59.6-42.8171.4-78.9167.5000112Q196 I203 R204Q196-L200 HydrophobicContact CG-CD1 4.33Å; Q196-L200 WeakPolarHBondContact O-CB 3.37Å; Q196-L200 WeakPolarHBondContact O-CG 3.41Å; Q196-L200 PolarHBondContact O-N 3.13Å; L200-I203 PolarHBondContact O-N 3.2Å; L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.44Å
201N91.3Very high91.7Very high81 Ų81105 Ų10543%0.43350%0.498SS..Hα-helixtrans-66.7-38.2175.2-76.2-48.4000112Q197 V198 E199 R204 L205Q197-N201 WeakPolarHBondContact O-CB 3.46Å; Q197-N201 PolarHBondContact O-N 3.04Å; Q197-N201 PolarHBondContact O-ND2 3.2Å; V198-N201 PolarHBondContact O-N 3.32Å; E199-N201 VanDerWaalsContact C-N 3.33Å; E199-N201 PolarHBondContact O-N 3.3Å; N201-R204 PolarHBondContact O-N 2.84Å; N201-L205 WeakPolarHBondContact O-CB 3.27Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 3.25Å
202R93.3Very high91.6Very high150 Ų150104.3 Ų104.357%0.56649%0.494SS*.Hα-helixtrans-60.4-47.3172.9-174.7-165176.794.11.4111.5V198 E199 R204 L205 L206V198-R202 WeakPolarHBondContact O-CB 3.4Å; V198-R202 PolarHBondContact O-N 3.1Å; E199-R202 WeakPolarHBondContact O-CB 3.49Å; E199-R202 PolarHBondContact O-N 2.87Å; E199-R202 WeakPolarHBondContact OE2-CD 3.27Å; R202-R204 VanDerWaalsContact C-N 3.33Å; R202-R204 PolarHBondContact O-N 2.88Å; R202-L205 PolarHBondContact O-N 2.99Å; R202-L206 HydrophobicContact CG-CD1 4.24Å; R202-L206 WeakPolarHBondContact O-CB 3.41Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 2.93Å
203I91.1Very high91.3Very high45 Ų45105.1 Ų105.123%0.23149%0.491CS..Hα-helixtrans-62.2-40.9176.3-68.5166.2000110.9F86 E199 L200 L206 R207F86-I203 HydrophobicContact CD2-CG2 3.78Å; F86-I203 HydrophobicContact CE2-CG2 3.37Å; F86-I203 HydrophobicContact CZ-CG2 3.87Å; E199-I203 HydrophobicContact CG-CD1 4.23Å; E199-I203 VanDerWaalsContact O-CG1 3.31Å; E199-I203 WeakPolarHBondContact O-CG1 3.33Å; E199-I203 PolarHBondContact O-N 3.45Å; L200-I203 PolarHBondContact O-N 3.2Å; I203-L206 PolarHBondContact O-N 2.97Å; I203-R207 PolarHBondContact O-N 3.3Å
204R92.2Very high91.1Very high171 Ų171104 Ų10465%0.64549%0.491SS*.Hα-helixtrans-64.8-44.8176.5-171.9179-178.6-169.40.3111.9L200 N201 R202 R207 L208L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.44Å; N201-R204 PolarHBondContact O-N 2.84Å; R202-R204 VanDerWaalsContact C-N 3.33Å; R202-R204 PolarHBondContact O-N 2.88Å; R204-R207 WeakPolarHBondContact O-CB 3.49Å; R204-R207 PolarHBondContact O-N 3.42Å; R204-L208 HydrophobicContact CG-CD1 4.45Å; R204-L208 WeakPolarHBondContact O-CG 3.36Å; R204-L208 PolarHBondContact O-N 2.92Å
205L92Very high90.6Very high117 Ų117103 Ų10361%0.61349%0.489SS*.Hα-helixtrans-60.3-45.3174.2-78.3161.9000111.4N201 R202 R207 L208 D209N201-L205 WeakPolarHBondContact O-CB 3.27Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 3.25Å; R202-L205 PolarHBondContact O-N 2.99Å; L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 2.97Å; L205-L208 PolarHBondContact O-N 3.4Å; L205-D209 WeakPolarHBondContact O-CB 3.5Å; L205-D209 PolarHBondContact O-N 3.46Å
206L93Very high90.2Very high88 Ų88101.6 Ų101.646%0.46148%0.482SS..Hα-helixtrans-63.4-28.9175.6-74.9168.5000113.6R202 I203 K210R202-L206 HydrophobicContact CG-CD1 4.24Å; R202-L206 WeakPolarHBondContact O-CB 3.41Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 2.93Å; I203-L206 PolarHBondContact O-N 2.97Å; L206-K210 VanDerWaalsContact O-CG 3.32Å; L206-K210 WeakPolarHBondContact O-CG 3.46Å; L206-K210 PolarHBondContact O-N 3.26Å
207R92.7Very high89.6Confident128 Ų128101.4 Ų101.448%0.48348%0.481SS..Hα-helixtrans-70.9-48171.9-177.5179.9-67.6177.7-0.1111I203 R204 L205 D209 K210 E211I203-R207 PolarHBondContact O-N 3.3Å; R204-R207 WeakPolarHBondContact O-CB 3.49Å; R204-R207 PolarHBondContact O-N 3.42Å; L205-R207 VanDerWaalsContact C-N 3.27Å; L205-R207 PolarHBondContact O-N 2.97Å; R207-D209 VanDerWaalsContact C-N 3.32Å; R207-D209 PolarHBondContact O-N 2.92Å; R207-K210 PolarHBondContact O-N 3.42Å; R207-E211 PolarHBondContact O-N 3.49Å
208L91.3Very high89Confident77 Ų77101 Ų10140%0.40349%0.486SS..Hα-helixtrans-62.7-39.2178.1-68.4169.8000111.6R204 L205 K210 E211 I212R204-L208 HydrophobicContact CG-CD1 4.45Å; R204-L208 WeakPolarHBondContact O-CG 3.36Å; R204-L208 PolarHBondContact O-N 2.92Å; L205-L208 PolarHBondContact O-N 3.4Å; L208-K210 PolarHBondContact O-N 3.05Å; L208-E211 WeakPolarHBondContact O-CB 3.41Å; L208-E211 PolarHBondContact O-N 2.89Å; L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.32Å
209D92.3Very high88.3Confident88 Ų88100.3 Ų100.347%0.47149%0.491SS..Hα-helixtrans-64.4-39.2176.5-17063.9000112L205 R207 N213L205-D209 WeakPolarHBondContact O-CB 3.5Å; L205-D209 PolarHBondContact O-N 3.46Å; R207-D209 VanDerWaalsContact C-N 3.32Å; R207-D209 PolarHBondContact O-N 2.92Å; D209-N213 WeakPolarHBondContact O-CB 3.27Å; D209-N213 PolarHBondContact O-N 3.43Å; D209-N213 PolarHBondContact O-ND2 3.47Å
210K89.3Confident87.3Confident155 Ų155105.5 Ų105.567%0.67451%0.506SS*.Hα-helixtrans-64.8-39.3171.1-75.7175.5179.8-175.90112.8L206 R207 L208 N213 H214L206-K210 VanDerWaalsContact O-CG 3.32Å; L206-K210 WeakPolarHBondContact O-CG 3.46Å; L206-K210 PolarHBondContact O-N 3.26Å; R207-K210 PolarHBondContact O-N 3.42Å; L208-K210 PolarHBondContact O-N 3.05Å; K210-N213 PolarHBondContact O-N 2.9Å; K210-H214 WeakPolarHBondContact O-CB 3.32Å; K210-H214 PolarHBondContact O-N 3.41Å
211E91.8Very high85.8Confident104 Ų104109.5 Ų109.549%0.48652%0.52SS..Hα-helixtrans-66-44.9177.8-173.6171.7-173.200111.1R207 L208 H214 L215R207-E211 PolarHBondContact O-N 3.49Å; L208-E211 WeakPolarHBondContact O-CB 3.41Å; L208-E211 PolarHBondContact O-N 2.89Å; E211-H214 PolarHBondContact O-N 2.98Å; E211-L215 HydrophobicContact CG-CD1 4.27Å; E211-L215 WeakPolarHBondContact O-CB 3.27Å; E211-L215 VanDerWaalsContact O-CG 3.29Å; E211-L215 WeakPolarHBondContact O-CG 3.44Å; E211-L215 PolarHBondContact O-N 3.34Å
212I88Confident84Confident89 Ų89109.1 Ų109.146%0.45654%0.535SS..Hα-helixtrans-58.9-50.6171.9-68.1163.5000110.3L208 H214 L215 E216L208-I212 WeakPolarHBondContact O-CB 3.3Å; L208-I212 VanDerWaalsContact O-CG1 3.27Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.32Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.04Å; I212-L215 PolarHBondContact O-N 2.85Å; I212-E216 HydrophobicContact CG2-CG 4.29Å; I212-E216 WeakPolarHBondContact O-CB 3.21Å; I212-E216 WeakPolarHBondContact O-CG 3.5Å; I212-E216 PolarHBondContact O-N 3.31Å
213N86.7Confident81.9Confident66 Ų66105 Ų10535%0.35354%0.539SS..Hα-helixtrans-57.2-39.4176.8-86.4-80.3000112.7D209 K210 Q217D209-N213 WeakPolarHBondContact O-CB 3.27Å; D209-N213 PolarHBondContact O-N 3.43Å; D209-N213 PolarHBondContact O-ND2 3.47Å; K210-N213 PolarHBondContact O-N 2.9Å; N213-Q217 WeakPolarHBondContact O-CB 3.36Å; N213-Q217 WeakPolarHBondContact O-CG 3.44Å; N213-Q217 PolarHBondContact O-N 3.21Å; N213-Q217 PolarHBondContact O-NE2 3.35Å
214H87.3Confident79.7Confident118 Ų118109.9 Ų109.955%0.54657%0.566SS.*Hα-helixtrans-67.1-43.9176.4178.7-79000112.3K210 E211 I212 Q217 S218K210-H214 WeakPolarHBondContact O-CB 3.32Å; K210-H214 PolarHBondContact O-N 3.41Å; E211-H214 PolarHBondContact O-N 2.98Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.04Å; H214-Q217 PolarHBondContact O-N 3.44Å; H214-S218 PolarHBondContact CE1-OG 3.1Å; H214-S218 WeakPolarHBondContact O-CB 3.39Å; H214-S218 PolarHBondContact O-N 2.95Å; H214-S218 PolarHBondContact O-OG 2.99Å
215L81.2Confident77.5Confident97 Ų97109.7 Ų109.751%0.50858%0.578SS.*Hα-helixtrans-65.4-41.5176.9-70.3169.3000111.3E211 I212 S218 A219E211-L215 HydrophobicContact CG-CD1 4.27Å; E211-L215 WeakPolarHBondContact O-CB 3.27Å; E211-L215 VanDerWaalsContact O-CG 3.29Å; E211-L215 WeakPolarHBondContact O-CG 3.44Å; E211-L215 PolarHBondContact O-N 3.34Å; I212-L215 PolarHBondContact O-N 2.85Å; L215-S218 PolarHBondContact O-N 2.95Å; L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 3.3Å
216E82.8Confident75.4Confident99 Ų99111.4 Ų111.446%0.46359%0.588SS.*Hα-helixtrans-63.5-41.5174.2-74.5-167.6177.300112.6I212 A219 R220I212-E216 HydrophobicContact CG2-CG 4.29Å; I212-E216 WeakPolarHBondContact O-CB 3.21Å; I212-E216 WeakPolarHBondContact O-CG 3.5Å; I212-E216 PolarHBondContact O-N 3.31Å; E216-A219 PolarHBondContact O-N 3.13Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 VanDerWaalsContact O-CG 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 3.27Å
217Q79.9Confident73.1Confident112 Ų112115 Ų11552%0.52361%0.607SS.*Hα-helixtrans-64.8-45175.2-74.8170.639.600111N213 H214 A219 R220 F221N213-Q217 WeakPolarHBondContact O-CB 3.36Å; N213-Q217 WeakPolarHBondContact O-CG 3.44Å; N213-Q217 PolarHBondContact O-N 3.21Å; N213-Q217 PolarHBondContact O-NE2 3.35Å; H214-Q217 PolarHBondContact O-N 3.44Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 2.94Å; Q217-R220 PolarHBondContact O-N 3.49Å; Q217-R220 VanDerWaalsContact O-N 3.16Å; Q217-F221 WeakPolarHBondContact O-CD2 3.45Å; Q217-F221 PolarHBondContact O-N 2.86Å
218S79.8Confident71.1Confident60 Ų60114.4 Ų114.442%0.4262%0.623SS.*Hα-helixtrans-61-41.8176.9-640000111.7H214 L215 R220 G222H214-S218 PolarHBondContact CE1-OG 3.1Å; H214-S218 WeakPolarHBondContact O-CB 3.39Å; H214-S218 PolarHBondContact O-N 2.95Å; H214-S218 PolarHBondContact O-OG 2.99Å; L215-S218 PolarHBondContact O-N 2.95Å; S218-R220 PolarHBondContact O-N 3.05Å; S218-G222 PolarHBondContact O-N 3.06Å
219A76.4Confident68.9Low83 Ų83118.4 Ų118.469%0.68665%0.645SS**Hα-helixtrans-66.1-33.2174.900000113.4L215 E216 Q217L215-A219 WeakPolarHBondContact O-CB 3.42Å; L215-A219 PolarHBondContact O-N 3.3Å; E216-A219 PolarHBondContact O-N 3.13Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 2.94Å
220R70Confident67.1Low199 Ų199119.9 Ų119.975%0.75166%0.662SS**Hα-helixtrans-78.3-33178.7-74177.2-172.5-134.86.9113.9E216 Q217 S218E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 VanDerWaalsContact O-CG 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 3.27Å; Q217-R220 PolarHBondContact O-N 3.49Å; Q217-R220 VanDerWaalsContact O-N 3.16Å; S218-R220 PolarHBondContact O-N 3.05Å
221F59Low65.1Low173 Ų173119.7 Ų119.776%0.75967%0.668SS**Hα-helixtrans-95.8-20.4-178.9-73.1-74.9000114Q217 G223Q217-F221 WeakPolarHBondContact O-CD2 3.45Å; Q217-F221 PolarHBondContact O-N 2.86Å; F221-G223 PolarHBondContact O-N 3.12Å; F221-G223 VanDerWaalsContact O-N 3.11Å
222G53.3Low63.2Low72 Ų72122.2 Ų122.274%0.74269%0.685SS**THydrogen-bonded Turntrans-72.55.6-179.200000116.8S218S218-G222 PolarHBondContact O-N 3.06Å
223G49.1Very low61.3Low63 Ų63124.5 Ų124.565%0.64970%0.698SS**THydrogen-bonded Turntrans-105.5-5.7-173.900000116.6F221F221-G223 PolarHBondContact O-N 3.12Å; F221-G223 VanDerWaalsContact O-N 3.11Å
224N44.8Very low59.5Low149 Ų149128.6 Ų128.680%0.79772%0.72SS**  trans-138.368.9-162.4-131.745.9000113.1
225N46.8Very low57.8Low166 Ų166130.8 Ų130.889%0.88873%0.728SS**  trans-151.561.8167.6-96.2-24.4000111
226N48.2Very low55.9Low154 Ų154133 Ų13382%0.82474%0.74SS**  trans-112.3141.4160.2-72.8-37.1000107.8
227N45Very low54.2Low162 Ų162131.4 Ų131.487%0.86675%0.751SS**  trans78.282.8178.8-49.7-15.9000116.5
228S50.6Low52.7Low117 Ų117137 Ų13782%0.81877%0.769SS**  trans-142.589.4142.662.30000109.5S230S228-S230 PolarHBondContact O-N 3.15Å
229D45.3Very low50.9Low161 Ų161139 Ų13986%0.86178%0.783SS**  trans-57.8126.2168.7-73.4-53.2000110.2
230S53.4Low49.7Very low118 Ų118141.4 Ų141.483%0.82579%0.789SS**  trans-160.5107155.9-83.50000110.4S228 N232S228-S230 PolarHBondContact O-N 3.15Å; S230-N232 PolarHBondContact O-N 2.78Å
231N48.3Very low48.8Very low151 Ų151139 Ų13981%0.80779%0.791SS**  trans-48.6129.4161.2-80.5-46.7000110.4
232N51.3Low48Very low158 Ų158137.6 Ų137.685%0.84579%0.791SS**  -160.5141.7118.2-101-38.1000112.7S230S230-N232 PolarHBondContact O-N 2.78Å
233N49.1Very low47.9Very low136 Ų136142.5 Ų142.573%0.72780%0.799SS**  trans-82166.1177.9-65.6-64.4000111.3
234N48.8Very low47.8Very low152 Ų152147.7 Ų147.781%0.81381%0.811SS**  trans75.6143176.6-59.6-32000115.7
235K50.6Low47.7Very low165 Ų165146.6 Ų146.672%0.71782%0.815SS**  cis-169.5154.5-27-142.9-178.9164-175.50106.5
236D42.5Very low47.6Very low142 Ų142141.5 Ų141.576%0.75980%0.802SS**  trans61.1100.2160.1-48.4-39.7000117.3
237G46.8Very low47.8Very low67 Ų67139.5 Ų139.569%0.69180%0.8SS**  trans179.874.9175.400000116
238Y46.9Very low48.1Very low228 Ų228136.4 Ų136.489%0.89480%0.797SS**  trans34.592.7159.3-59.1-84.5000118.6
239S43.9Very low48.7Very low103 Ų103133.3 Ų133.372%0.7277%0.773SS**  trans-82.6120.7162.4-169.50000110.7
240T51.2Low50Low134 Ų134127.3 Ų127.382%0.82275%0.749SS**  trans-117.410.6-178-58.50000112
241L49.5Very low51.2Low149 Ų149126.1 Ų126.178%0.7874%0.739SS**  trans-138.749.3-160.4-138.1169.3000114.5
242D42.7Very low52.6Low142 Ų142124.7 Ų124.776%0.75974%0.735SS**  trans-141.443.2177.7-87-49.4000113.7
243L50.8Low53.8Low175 Ų175119.1 Ų119.192%0.91671%0.711SS**  trans-12510.9176.8-80.8173.9000115.5
244L48.3Very low55.4Low172 Ų172117.8 Ų117.890%0.90170%0.701SS**  trans-104.847.6171.6-68.2176.5000112.1G246L244-G246 PolarHBondContact O-N 3.43Å
245S40.8Very low56.9Low126 Ų126116 Ų11688%0.88169%0.69SS**  trans-88.945.4168-146.90000111.5
246G46.3Very low58.5Low60 Ų60111 Ų11162%0.61968%0.68SS**SBendtrans-81.5121.1158.600000106.9L244 A248L244-G246 PolarHBondContact O-N 3.43Å; G246-A248 PolarHBondContact O-N 3.49Å
247S51.4Low60.4Low111 Ų111109.7 Ų109.778%0.77667%0.669SS**  trans-35.9106.9-172.1-173.20000112.1V249S247-V249 PolarHBondContact O-N 3.09Å
248A51.8Low62.1Low97 Ų97110.7 Ų110.780%0.80266%0.658SS**  trans-71.681.2177.600000108.5G246 G250G246-A248 PolarHBondContact O-N 3.49Å; A248-G250 VanDerWaalsContact C-N 3.31Å; A248-G250 PolarHBondContact O-N 2.87Å
249V62.7Low63.9Low52 Ų52104 Ų10432%0.31565%0.65SS.*  trans-56.5100.1165.4178.80000105.3S247 A253 E254S247-V249 PolarHBondContact O-N 3.09Å; V249-A253 HydrophobicContact CG1-CB 3.44Å; V249-A253 VanDerWaalsContact CG1-CB 3.44Å; V249-E254 HydrophobicContact CB-CG 4.19Å; V249-E254 HydrophobicContact CG1-CG 3.75Å; V249-E254 WeakPolarHBondContact O-CG 3.35Å
250G72.1Confident65.9Low35 Ų35103 Ų10336%0.36165%0.648SS.*  trans-58.2156.9-175.100000110.9A248 V252 A253 E254A248-G250 VanDerWaalsContact C-N 3.31Å; A248-G250 PolarHBondContact O-N 2.87Å; G250-V252 PolarHBondContact O-N 3.2Å; G250-A253 WeakPolarHBondContact O-CA 3.24Å; G250-A253 WeakPolarHBondContact O-CB 3.46Å; G250-A253 PolarHBondContact O-N 3.43Å; G250-E254 PolarHBondContact O-N 3.3Å; G250-E254 VanDerWaalsContact O-N 3.17Å
251P79.1Confident67.6Low93 Ų9398.9 Ų98.960%0.60462%0.623SS**Hα-helixtrans-51.5-32.4-172.2-30.235.4000114.6E254 L255P251-E254 PolarHBondContact O-N 2.91Å; P251-L255 WeakPolarHBondContact O-CB 3.4Å; P251-L255 WeakPolarHBondContact O-CG 3.1Å; P251-L255 PolarHBondContact O-N 3.33Å
252V77.2Confident69.6Low121 Ų12195.8 Ų95.873%0.73361%0.611SS**Hα-helixtrans-62.4-40.5173.9176.80000112.8G250 A256G250-V252 PolarHBondContact O-N 3.2Å; V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 2.9Å
253A78Confident71.9Confident42 Ų4295 Ų9535%0.34760%0.598SS.*Hα-helixtrans-77.4-31.2179.400000112V249 G250 A256 Q257V249-A253 HydrophobicContact CG1-CB 3.44Å; V249-A253 VanDerWaalsContact CG1-CB 3.44Å; G250-A253 WeakPolarHBondContact O-CA 3.24Å; G250-A253 WeakPolarHBondContact O-CB 3.46Å; G250-A253 PolarHBondContact O-N 3.43Å; A253-A256 PolarHBondContact O-N 3.21Å; A253-Q257 WeakPolarHBondContact O-CG 3.48Å; A253-Q257 PolarHBondContact O-N 3Å
254E81.2Confident73.8Confident108 Ų10890.8 Ų90.851%0.50558%0.583SS.*Hα-helixtrans-64.4-47168-63.1-173.1148.600110.7V249 G250 P251 A256 Q257 L258V249-E254 HydrophobicContact CB-CG 4.19Å; V249-E254 HydrophobicContact CG1-CG 3.75Å; V249-E254 WeakPolarHBondContact O-CG 3.35Å; G250-E254 PolarHBondContact O-N 3.3Å; G250-E254 VanDerWaalsContact O-N 3.17Å; P251-E254 PolarHBondContact O-N 2.91Å; E254-A256 VanDerWaalsContact C-N 3.29Å; E254-A256 PolarHBondContact O-N 3.15Å; E254-Q257 PolarHBondContact O-N 3.43Å; E254-Q257 VanDerWaalsContact O-N 3.15Å; E254-L258 WeakPolarHBondContact O-CG 3.47Å; E254-L258 PolarHBondContact O-N 3.21Å
255L81.8Confident75.9Confident114 Ų11488.8 Ų88.860%0.59757%0.569SS**Hα-helixtrans-59.3-38.7174.6-73.2169.9000112.2P251 L258 A259P251-L255 WeakPolarHBondContact O-CB 3.4Å; P251-L255 WeakPolarHBondContact O-CG 3.1Å; P251-L255 PolarHBondContact O-N 3.33Å; L255-L258 PolarHBondContact O-N 3.03Å; L255-A259 VanDerWaalsContact O-CB 3.3Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.26Å
256A83.1Confident78.3Confident59 Ų5987.1 Ų87.149%0.48855%0.55SS.*Hα-helixtrans-65.7-40.6174.800000112.5V252 A253 E254 A259 A260V252-A256 WeakPolarHBondContact O-CB 3.42Å; V252-A256 PolarHBondContact O-N 2.9Å; A253-A256 PolarHBondContact O-N 3.21Å; E254-A256 VanDerWaalsContact C-N 3.29Å; E254-A256 PolarHBondContact O-N 3.15Å; A256-A259 PolarHBondContact O-N 2.64Å; A256-A260 VanDerWaalsContact O-CB 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.4Å; A256-A260 PolarHBondContact O-N 3.05Å
257Q82.7Confident80.5Confident115 Ų11588.6 Ų88.654%0.53754%0.543SS..Hα-helixtrans-66-42.7174.4-72.1176.630.100111.9A253 E254 A259 A260 T261A253-Q257 WeakPolarHBondContact O-CG 3.48Å; A253-Q257 PolarHBondContact O-N 3Å; E254-Q257 PolarHBondContact O-N 3.43Å; E254-Q257 VanDerWaalsContact O-N 3.15Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-A259 PolarHBondContact O-N 2.76Å; Q257-A260 PolarHBondContact O-N 2.68Å; Q257-T261 PolarHBondContact O-N 2.83Å; Q257-T261 PolarHBondContact O-OG1 2.82Å
258L82.9Confident82.5Confident89 Ų8987.2 Ų87.247%0.46653%0.527SS..Hα-helixtrans-63.1-40174.8-68.1170.3000111.2E254 L255 T261 W263E254-L258 WeakPolarHBondContact O-CG 3.47Å; E254-L258 PolarHBondContact O-N 3.21Å; L255-L258 PolarHBondContact O-N 3.03Å; L258-T261 PolarHBondContact O-N 3.34Å; L258-W263 HydrophobicContact CB-CZ2 4.45Å; L258-W263 HydrophobicContact CD2-CH2 4.11Å; L258-W263 HydrophobicContact CD2-CZ2 3.74Å; L258-W263 PolarHBondContact O-NE1 2.82Å
259A84.1Confident84.4Confident87 Ų8786.1 Ų86.172%0.71951%0.511SS*.Hα-helixtrans-68.4-33.5175.600000113.2L255 A256 Q257L255-A259 VanDerWaalsContact O-CB 3.3Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.26Å; A256-A259 PolarHBondContact O-N 2.64Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-A259 PolarHBondContact O-N 2.76Å
260A85.3Confident85.9Confident82 Ų8288.3 Ų88.368%0.67852%0.521SS*.Hα-helixtrans-80-13.3177.100000114A256 Q257A256-A260 VanDerWaalsContact O-CB 3.32Å; A256-A260 WeakPolarHBondContact O-CB 3.4Å; A256-A260 PolarHBondContact O-N 3.05Å; Q257-A260 PolarHBondContact O-N 2.68Å
261T87.2Confident87Confident48 Ų4892.4 Ų92.429%0.29453%0.525SS..SBendtrans-69.3129.5-178.8-65.50000110.5Q257 L258 W263Q257-T261 PolarHBondContact O-N 2.83Å; Q257-T261 PolarHBondContact O-OG1 2.82Å; L258-T261 PolarHBondContact O-N 3.34Å; T261-W263 HydrophobicContact CG2-CD2 4.07Å; T261-W263 HydrophobicContact CG2-CE3 4.38Å; T261-W263 HydrophobicContact CG2-CH2 4.36Å; T261-W263 HydrophobicContact CG2-CZ2 4.03Å; T261-W263 PolarHBondContact O-N 3.48Å
262P91Very high87.8Confident83 Ų8389.7 Ų89.754%0.53951%0.511SS..  trans-76.970.7-17931.9-36.2000111.6S264 Q265 L266P262-S264 PolarHBondContact O-N 3.4Å; P262-S264 VanDerWaalsContact O-N 3.12Å; P262-Q265 HydrophobicContact CB-CB 4.38Å; P262-Q265 PolarHBondContact O-N 2.96Å; P262-L266 PolarHBondContact O-N 3.33Å; P262-L266 VanDerWaalsContact O-N 3.11Å
263W91Very high88.6Confident125 Ų12592 Ų9247%0.47351%0.506SS..Hα-helixtrans-51.8-38-174.6-67.8104.8000113.9L258 T261 Q265 L266 L267L258-W263 HydrophobicContact CB-CZ2 4.45Å; L258-W263 HydrophobicContact CD2-CH2 4.11Å; L258-W263 HydrophobicContact CD2-CZ2 3.74Å; L258-W263 PolarHBondContact O-NE1 2.82Å; T261-W263 HydrophobicContact CG2-CD2 4.07Å; T261-W263 HydrophobicContact CG2-CE3 4.38Å; T261-W263 HydrophobicContact CG2-CH2 4.36Å; T261-W263 HydrophobicContact CG2-CZ2 4.03Å; T261-W263 PolarHBondContact O-N 3.48Å; W263-Q265 PolarHBondContact O-N 2.93Å; W263-L266 HydrophobicContact CE3-CD2 4.05Å; W263-L266 HydrophobicContact CZ3-CD2 3.91Å; W263-L266 PolarHBondContact O-N 3.39Å; W263-L267 VanDerWaalsContact O-CB 3.31Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 WeakPolarHBondContact O-CG 3.4Å; W263-L267 PolarHBondContact O-N 3.15Å
264S91.3Very high89.4Confident88 Ų8895.4 Ų95.462%0.61552%0.515SS*.Hα-helixtrans-57.5-48.1176.8-50.20000111.9P262 L267 D268P262-S264 PolarHBondContact O-N 3.4Å; P262-S264 VanDerWaalsContact O-N 3.12Å; S264-L267 PolarHBondContact O-N 2.88Å; S264-D268 WeakPolarHBondContact O-CB 3.37Å; S264-D268 VanDerWaalsContact O-CG 3.31Å; S264-D268 PolarHBondContact O-N 3.23Å
265Q92.5Very high90.1Very high129 Ų12998 Ų9860%0.60352%0.52SS*.Hα-helixtrans-68.9-36.5178.7-172.6179200111.8P262 W263 D268 T269P262-Q265 HydrophobicContact CB-CB 4.38Å; P262-Q265 PolarHBondContact O-N 2.96Å; W263-Q265 PolarHBondContact O-N 2.93Å; Q265-D268 PolarHBondContact O-N 3.47Å; Q265-T269 WeakPolarHBondContact O-CB 3.44Å; Q265-T269 WeakPolarHBondContact O-CG2 3.21Å; Q265-T269 PolarHBondContact O-N 3.2Å; Q265-T269 PolarHBondContact O-OG1 2.83Å
266L91.4Very high90.8Very high92 Ų9298.9 Ų98.948%0.48252%0.521SS..Hα-helixtrans-67.1-39.4175.4-171.164.4000111.8P262 W263 T269 N270P262-L266 PolarHBondContact O-N 3.33Å; P262-L266 VanDerWaalsContact O-N 3.11Å; W263-L266 HydrophobicContact CE3-CD2 4.05Å; W263-L266 HydrophobicContact CZ3-CD2 3.91Å; W263-L266 PolarHBondContact O-N 3.39Å; L266-T269 WeakPolarHBondContact CA-OG1 3.41Å; L266-T269 PolarHBondContact O-OG1 3.49Å; L266-N270 VanDerWaalsContact O-CB 3.27Å; L266-N270 WeakPolarHBondContact O-CB 3.43Å; L266-N270 PolarHBondContact O-N 2.72Å
267L91.9Very high91.4Very high91 Ų91100.6 Ų100.648%0.47652%0.521SS..Hα-helixtrans-68-39.5173.7-71.5168.1000111.6W263 S264 N270 R271W263-L267 VanDerWaalsContact O-CB 3.31Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 WeakPolarHBondContact O-CG 3.4Å; W263-L267 PolarHBondContact O-N 3.15Å; S264-L267 PolarHBondContact O-N 2.88Å; L267-N270 PolarHBondContact O-N 2.99Å; L267-R271 WeakPolarHBondContact O-CB 3.39Å; L267-R271 VanDerWaalsContact O-CG 3.27Å; L267-R271 WeakPolarHBondContact O-CG 3.32Å; L267-R271 PolarHBondContact O-N 3.27Å
268D93.7Very high92Very high81 Ų81100.4 Ų100.443%0.43352%0.524SS..Hα-helixtrans-69-38.6177.3-74.2-31.2000113.1S264 Q265 R271 A272S264-D268 WeakPolarHBondContact O-CB 3.37Å; S264-D268 VanDerWaalsContact O-CG 3.31Å; S264-D268 PolarHBondContact O-N 3.23Å; Q265-D268 PolarHBondContact O-N 3.47Å; D268-R271 PolarHBondContact O-N 3.33Å; D268-R271 IonicContact OD1-CZ 3.58Å; D268-R271 VanDerWaalsContact OD1-CZ 3.3Å; D268-R271 IonicContact OD1-NE 3.57Å; D268-R271 PolarHBondContact OD1-NE 2.93Å; D268-R271 VanDerWaalsContact OD1-NE 3.1Å; D268-R271 IonicContact OD1-NH2 2.81Å; D268-R271 PolarHBondContact OD1-NH2 2.93Å; D268-A272 VanDerWaalsContact O-CB 3.3Å; D268-A272 WeakPolarHBondContact O-CB 3.4Å; D268-A272 PolarHBondContact O-N 3.24Å
269T92.6Very high92.6Very high75 Ų7599 Ų9946%0.4652%0.522SS..Hα-helixtrans-68.4-37.1172.4500000112Q265 L266 A272 R273Q265-T269 WeakPolarHBondContact O-CB 3.44Å; Q265-T269 WeakPolarHBondContact O-CG2 3.21Å; Q265-T269 PolarHBondContact O-N 3.2Å; Q265-T269 PolarHBondContact O-OG1 2.83Å; L266-T269 WeakPolarHBondContact CA-OG1 3.41Å; L266-T269 PolarHBondContact O-OG1 3.49Å; T269-A272 PolarHBondContact O-N 2.88Å; T269-R273 PolarHBondContact O-N 3.13Å
270N93.7Very high93.1Very high98 Ų9898.6 Ų98.652%0.52451%0.505SS..Hα-helixtrans-64.7-46.9172.4-166.1-70.5000111.5L266 L267 A272 R273 Q274L266-N270 VanDerWaalsContact O-CB 3.27Å; L266-N270 WeakPolarHBondContact O-CB 3.43Å; L266-N270 PolarHBondContact O-N 2.72Å; L267-N270 PolarHBondContact O-N 2.99Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.85Å; N270-R273 PolarHBondContact O-N 2.79Å; N270-Q274 PolarHBondContact O-N 3.47Å
271R95.2Very high93.5Very high120 Ų12098.5 Ų98.545%0.45350%0.498SS..Hα-helixtrans-59-35.7172.4-76.5-173.9-79.4-114.67.7112.6L267 D268 R275L267-R271 WeakPolarHBondContact O-CB 3.39Å; L267-R271 VanDerWaalsContact O-CG 3.27Å; L267-R271 WeakPolarHBondContact O-CG 3.32Å; L267-R271 PolarHBondContact O-N 3.27Å; D268-R271 PolarHBondContact O-N 3.33Å; D268-R271 IonicContact OD1-CZ 3.58Å; D268-R271 VanDerWaalsContact OD1-CZ 3.3Å; D268-R271 IonicContact OD1-NE 3.57Å; D268-R271 PolarHBondContact OD1-NE 2.93Å; D268-R271 VanDerWaalsContact OD1-NE 3.1Å; D268-R271 IonicContact OD1-NH2 2.81Å; D268-R271 PolarHBondContact OD1-NH2 2.93Å; R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.92Å; R271-R275 VanDerWaalsContact O-N 3.13Å; R271-R275 PolarHBondContact O-NE 3.42Å
272A95.3Very high94Very high36 Ų36100.3 Ų100.330%0.29850%0.503SS..Hα-helixtrans-67.6-47.9175.100000111.8D268 T269 N270 Q274 R275 E276D268-A272 VanDerWaalsContact O-CB 3.3Å; D268-A272 WeakPolarHBondContact O-CB 3.4Å; D268-A272 PolarHBondContact O-N 3.24Å; T269-A272 PolarHBondContact O-N 2.88Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.85Å; A272-Q274 VanDerWaalsContact C-N 3.3Å; A272-Q274 PolarHBondContact O-N 2.92Å; A272-R275 WeakPolarHBondContact O-CB 3.42Å; A272-R275 PolarHBondContact O-N 3.08Å; A272-R275 VanDerWaalsContact O-N 3.15Å; A272-E276 PolarHBondContact O-N 2.84Å
273R94Very high94.2Very high169 Ų169102.1 Ų102.164%0.63850%0.5SS*.Hα-helixtrans-58.4-40.9173.9-177-177.2-68.9179.4-2111.9T269 N270 R275 E276 L277T269-R273 PolarHBondContact O-N 3.13Å; N270-R273 PolarHBondContact O-N 2.79Å; R273-R275 PolarHBondContact O-N 3.27Å; R273-E276 PolarHBondContact O-N 2.91Å; R273-L277 HydrophobicContact CG-CD1 4.11Å; R273-L277 HydrophobicContact CG-CG 4.44Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.4Å; R273-L277 PolarHBondContact O-N 3.36Å
274Q96.1Very high94.5Very high115 Ų115101 Ų10154%0.53750%0.499SS..Hα-helixtrans-63-40.9176.6-170.2178.52.900111.9N270 A272 L278N270-Q274 PolarHBondContact O-N 3.47Å; A272-Q274 VanDerWaalsContact C-N 3.3Å; A272-Q274 PolarHBondContact O-N 2.92Å; Q274-L278 VanDerWaalsContact O-CG 3.3Å; Q274-L278 WeakPolarHBondContact O-CG 3.22Å; Q274-L278 PolarHBondContact O-N 2.93Å; Q274-L278 VanDerWaalsContact O-N 3.09Å
275R95.7Very high94.8Very high163 Ų163101.8 Ų101.862%0.61549%0.492SS*.Hα-helixtrans-64.8-39.3173.6-75.6-180-77.6115.4-10.3112.6R271 A272 R273 L278 S279R271-R275 WeakPolarHBondContact O-CG 3.31Å; R271-R275 PolarHBondContact O-N 2.92Å; R271-R275 VanDerWaalsContact O-N 3.13Å; R271-R275 PolarHBondContact O-NE 3.42Å; A272-R275 WeakPolarHBondContact O-CB 3.42Å; A272-R275 PolarHBondContact O-N 3.08Å; A272-R275 VanDerWaalsContact O-N 3.15Å; R273-R275 PolarHBondContact O-N 3.27Å; R275-L278 PolarHBondContact O-N 3.45Å; R275-S279 PolarHBondContact O-N 3.01Å
276E95.6Very high95Very high131 Ų13199.3 Ų99.361%0.61248%0.482SS*.Hα-helixtrans-65-46.8177.1-177.4170.6-14700112A272 R273 L278 S279 E280A272-E276 PolarHBondContact O-N 2.84Å; R273-E276 PolarHBondContact O-N 2.91Å; E276-L278 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.12Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 3.11Å; E276-S279 VanDerWaalsContact O-N 3.15Å; E276-E280 PolarHBondContact O-N 3.04Å
277L95.6Very high95.2Very high95 Ų9597 Ų9750%0.49748%0.476SS..Hα-helixtrans-60.1-41.4175.3-72.9169.8000112.1R273 E280 C281R273-L277 HydrophobicContact CG-CD1 4.11Å; R273-L277 HydrophobicContact CG-CG 4.44Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.4Å; R273-L277 PolarHBondContact O-N 3.36Å; L277-E280 WeakPolarHBondContact O-CB 3.33Å; L277-E280 PolarHBondContact O-N 3.09Å; L277-C281 PolarHBondContact O-N 3.04Å; L277-C281 PolarHBondContact O-SG 2.87Å
278L95.6Very high95.5Very high111 Ų11196 Ų9658%0.58147%0.47SS*.Hα-helixtrans-64.3-39.2175-71.7170.2000112.2Q274 R275 E276 E280 C281 E282Q274-L278 VanDerWaalsContact O-CG 3.3Å; Q274-L278 WeakPolarHBondContact O-CG 3.22Å; Q274-L278 PolarHBondContact O-N 2.93Å; Q274-L278 VanDerWaalsContact O-N 3.09Å; R275-L278 PolarHBondContact O-N 3.45Å; E276-L278 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.12Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-E280 PolarHBondContact O-N 2.8Å; L278-C281 PolarHBondContact O-N 3.27Å; L278-E282 PolarHBondContact O-N 2.81Å
279S95.6Very high95.6Very high61 Ų6196 Ų9643%0.42747%0.471SS..Hα-helixtrans-63.7-37.7172.8-177.70000111.9R275 E276 E282 R283R275-S279 PolarHBondContact O-N 3.01Å; E276-S279 WeakPolarHBondContact O-CB 3.39Å; E276-S279 PolarHBondContact O-N 3.11Å; E276-S279 VanDerWaalsContact O-N 3.15Å; S279-E282 PolarHBondContact O-N 2.99Å; S279-R283 WeakPolarHBondContact O-CG 3.44Å; S279-R283 PolarHBondContact O-N 2.89Å; S279-R283 PolarHBondContact OG-NH1 2.75Å; S279-R283 VanDerWaalsContact OG-NH1 3.12Å
280E95.1Very high95.8Very high77 Ų7798.4 Ų98.436%0.3648%0.476SS..Hα-helixtrans-66.8-43.6175.1-172140.3-100.700112.8E276 L277 L278 E282 R283 H284E276-E280 PolarHBondContact O-N 3.04Å; L277-E280 WeakPolarHBondContact O-CB 3.33Å; L277-E280 PolarHBondContact O-N 3.09Å; L278-E280 VanDerWaalsContact C-N 3.31Å; L278-E280 PolarHBondContact O-N 2.8Å; E280-E282 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 2.82Å; E280-R283 PolarHBondContact O-N 2.86Å; E280-R283 IonicContact OE1-CZ 3.5Å; E280-R283 IonicContact OE1-NH2 3.28Å; E280-R283 PolarHBondContact OE1-NH2 3.42Å; E280-H284 WeakPolarHBondContact CG-NE2 3.33Å; E280-H284 PolarHBondContact O-CD2 2.87Å; E280-H284 PolarHBondContact O-N 3Å
281C94Very high96Very high81 Ų8198.2 Ų98.255%0.54748%0.479SS..Hα-helixtrans-56.9-44.3172.2-69.30000111.9L277 L278 H284 K285L277-C281 PolarHBondContact O-N 3.04Å; L277-C281 PolarHBondContact O-SG 2.87Å; L278-C281 PolarHBondContact O-N 3.27Å; C281-H284 PolarHBondContact O-N 3.48Å; C281-K285 WeakPolarHBondContact O-CB 3.28Å; C281-K285 PolarHBondContact O-N 2.86Å
282E96.2Very high96.1Very high86 Ų8696.6 Ų96.640%0.40248%0.479SS..Hα-helixtrans-68.3-39.1178.1-165.761.5-151.300112L278 S279 E280 H284 K285 I286L278-E282 PolarHBondContact O-N 2.81Å; S279-E282 PolarHBondContact O-N 2.99Å; E280-E282 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 2.82Å; E282-H284 VanDerWaalsContact C-N 3.32Å; E282-H284 PolarHBondContact O-N 3.17Å; E282-K285 PolarHBondContact O-N 3.29Å; E282-K285 IonicContact OE1-NZ 2.7Å; E282-K285 PolarHBondContact OE1-NZ 3.25Å; E282-K285 IonicContact OE2-NZ 2.64Å; E282-K285 PolarHBondContact OE2-NZ 3.28Å; E282-K285 VanDerWaalsContact OE2-NZ 3.12Å; E282-I286 HydrophobicContact CG-CD1 4.2Å; E282-I286 WeakPolarHBondContact O-CG1 3.47Å; E282-I286 PolarHBondContact O-N 2.92Å
283R96.4Very high96.2Very high121 Ų12198.6 Ų98.646%0.45749%0.487SS..Hα-helixtrans-57.7-44.9171.4-73.3-172.3-56.1-99.813.1111.6S279 E280 A287S279-R283 WeakPolarHBondContact O-CG 3.44Å; S279-R283 PolarHBondContact O-N 2.89Å; S279-R283 PolarHBondContact OG-NH1 2.75Å; S279-R283 VanDerWaalsContact OG-NH1 3.12Å; E280-R283 PolarHBondContact O-N 2.86Å; E280-R283 IonicContact OE1-CZ 3.5Å; E280-R283 IonicContact OE1-NH2 3.28Å; E280-R283 PolarHBondContact OE1-NH2 3.42Å; R283-A287 WeakPolarHBondContact O-CB 3.34Å; R283-A287 PolarHBondContact O-N 2.82Å
284H97.1Very high96.4Very high102 Ų10296.4 Ų96.447%0.47248%0.484SS..Hα-helixtrans-68.7-36.6179-72.3-47.7000112.9E280 C281 E282 A287 I288E280-H284 WeakPolarHBondContact CG-NE2 3.33Å; E280-H284 PolarHBondContact O-CD2 2.87Å; E280-H284 PolarHBondContact O-N 3Å; C281-H284 PolarHBondContact O-N 3.48Å; E282-H284 VanDerWaalsContact C-N 3.32Å; E282-H284 PolarHBondContact O-N 3.17Å; H284-A287 PolarHBondContact O-N 2.94Å; H284-I288 VanDerWaalsContact O-CG1 3.31Å; H284-I288 WeakPolarHBondContact O-CG1 3.44Å; H284-I288 PolarHBondContact O-N 2.68Å
285K96.6Very high96.5Very high103 Ų10394.3 Ų94.345%0.44848%0.476SS..Hα-helixtrans-61.6-51.1173.6177.5176152.1-127.10111.4C281 E282 A287 I288 D289C281-K285 WeakPolarHBondContact O-CB 3.28Å; C281-K285 PolarHBondContact O-N 2.86Å; E282-K285 PolarHBondContact O-N 3.29Å; E282-K285 IonicContact OE1-NZ 2.7Å; E282-K285 PolarHBondContact OE1-NZ 3.25Å; E282-K285 IonicContact OE2-NZ 2.64Å; E282-K285 PolarHBondContact OE2-NZ 3.28Å; E282-K285 VanDerWaalsContact OE2-NZ 3.12Å; K285-A287 VanDerWaalsContact C-N 3.25Å; K285-A287 PolarHBondContact O-N 2.8Å; K285-I288 WeakPolarHBondContact O-CB 3.31Å; K285-I288 PolarHBondContact O-N 2.75Å; K285-D289 PolarHBondContact O-N 2.7Å
286I96.6Very high96.6Very high78 Ų7889.5 Ų89.540%0.447%0.471SS..Hα-helixtrans-57.9-38.4175.4-66.6165.7000111.4E282 D289 Q290E282-I286 HydrophobicContact CG-CD1 4.2Å; E282-I286 WeakPolarHBondContact O-CG1 3.47Å; E282-I286 PolarHBondContact O-N 2.92Å; I286-D289 PolarHBondContact O-N 2.79Å; I286-Q290 VanDerWaalsContact O-CG 3.27Å; I286-Q290 WeakPolarHBondContact O-CG 3.29Å; I286-Q290 PolarHBondContact O-N 3.01Å
287A97Very high96.7Very high43 Ų4389.2 Ų89.236%0.35547%0.468SS..Hα-helixtrans-67.7-35176.600000113.1R283 H284 K285 V291R283-A287 WeakPolarHBondContact O-CB 3.34Å; R283-A287 PolarHBondContact O-N 2.82Å; H284-A287 PolarHBondContact O-N 2.94Å; K285-A287 VanDerWaalsContact C-N 3.25Å; K285-A287 PolarHBondContact O-N 2.8Å; A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.4Å; A287-V291 VanDerWaalsContact O-N 3.13Å
288I96.8Very high96.7Very high69 Ų6987 Ų8735%0.35446%0.459SS..Hα-helixtrans-66.2-50.3172.8-69.8162.8000109.7H284 K285 Q290 V291 D292H284-I288 VanDerWaalsContact O-CG1 3.31Å; H284-I288 WeakPolarHBondContact O-CG1 3.44Å; H284-I288 PolarHBondContact O-N 2.68Å; K285-I288 WeakPolarHBondContact O-CB 3.31Å; K285-I288 PolarHBondContact O-N 2.75Å; I288-Q290 PolarHBondContact O-N 2.62Å; I288-V291 WeakPolarHBondContact O-CA 3.34Å; I288-V291 PolarHBondContact O-N 3.01Å; I288-D292 PolarHBondContact O-N 3.36Å
289D97Very high96.9Very high83 Ų8387.9 Ų87.944%0.44446%0.458SS..Hα-helixtrans-55.3-39.9177.5-62.5-27.2000111.5K285 I286 D292 T293K285-D289 PolarHBondContact O-N 2.7Å; I286-D289 PolarHBondContact O-N 2.79Å; D289-D292 PolarHBondContact O-N 3.28Å; D289-T293 VanDerWaalsContact O-CG2 3.29Å; D289-T293 WeakPolarHBondContact O-CG2 3.48Å; D289-T293 PolarHBondContact O-N 3.41Å; D289-T293 PolarHBondContact O-OG1 2.86Å
290Q97.4Very high96.9Very high124 Ų12490.7 Ų90.758%0.57947%0.465SS*.Hα-helixtrans-63-44.8174-75.4174.113.600112.8I286 I288 D292 T293 H294I286-Q290 VanDerWaalsContact O-CG 3.27Å; I286-Q290 WeakPolarHBondContact O-CG 3.29Å; I286-Q290 PolarHBondContact O-N 3.01Å; I288-Q290 PolarHBondContact O-N 2.62Å; Q290-D292 VanDerWaalsContact C-N 3.34Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-T293 PolarHBondContact O-OG1 2.76Å; Q290-H294 PolarHBondContact O-N 2.96Å
291V97.7Very high97.1Very high95 Ų9590.8 Ų90.858%0.57647%0.469SS*.Hα-helixtrans-63.9-40.8176.3170.30000110.9A287 I288 H294 L295A287-V291 WeakPolarHBondContact O-CG2 3.38Å; A287-V291 PolarHBondContact O-N 3.4Å; A287-V291 VanDerWaalsContact O-N 3.13Å; I288-V291 WeakPolarHBondContact O-CA 3.34Å; I288-V291 PolarHBondContact O-N 3.01Å; V291-H294 WeakPolarHBondContact O-CB 3.26Å; V291-H294 PolarHBondContact O-N 2.93Å; V291-L295 WeakPolarHBondContact O-CB 3.17Å; V291-L295 PolarHBondContact O-N 3.36Å
292D97.2Very high97.2Very high85 Ų8592.4 Ų92.446%0.45547%0.471SS..Hα-helixtrans-67-40.7178-74.4-30.2000112.2I288 D289 Q290 H294 L295 A296I288-D292 PolarHBondContact O-N 3.36Å; D289-D292 PolarHBondContact O-N 3.28Å; Q290-D292 VanDerWaalsContact C-N 3.34Å; D292-H294 VanDerWaalsContact C-N 3.3Å; D292-H294 PolarHBondContact O-N 2.94Å; D292-L295 PolarHBondContact O-N 3.49Å; D292-A296 WeakPolarHBondContact O-CB 3.34Å; D292-A296 PolarHBondContact O-N 3.37Å
293T97.5Very high97.3Very high78 Ų7891 Ų9148%0.47947%0.47SS..Hα-helixtrans-64.8-33.7172.565.30000112.4D289 Q290 K297D289-T293 VanDerWaalsContact O-CG2 3.29Å; D289-T293 WeakPolarHBondContact O-CG2 3.48Å; D289-T293 PolarHBondContact O-N 3.41Å; D289-T293 PolarHBondContact O-OG1 2.86Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-T293 PolarHBondContact O-OG1 2.76Å; T293-K297 VanDerWaalsContact O-CG 3.3Å; T293-K297 WeakPolarHBondContact O-CG 3.42Å; T293-K297 PolarHBondContact O-N 3.47Å; T293-K297 VanDerWaalsContact O-N 3.15Å
294H98Very high97.3Very high123 Ų12390.3 Ų90.357%0.56947%0.473SS*.Hα-helixtrans-69.8-42.3174.1-172.2-88.3000111.3Q290 V291 D292 A296 K297 T298Q290-H294 PolarHBondContact O-N 2.96Å; V291-H294 WeakPolarHBondContact O-CB 3.26Å; V291-H294 PolarHBondContact O-N 2.93Å; D292-H294 VanDerWaalsContact C-N 3.3Å; D292-H294 PolarHBondContact O-N 2.94Å; H294-A296 VanDerWaalsContact C-N 3.35Å; H294-A296 PolarHBondContact O-N 2.87Å; H294-K297 PolarHBondContact O-N 2.89Å; H294-T298 WeakPolarHBondContact O-CG2 3.42Å; H294-T298 PolarHBondContact O-N 2.78Å; H294-T298 PolarHBondContact O-OG1 3.2Å
295L97.3Very high97.3Very high72 Ų7290 Ų9038%0.37747%0.474SS..Hα-helixtrans-63.7-37.7175.8-177.761000112.2V291 D292 T298 K299V291-L295 WeakPolarHBondContact O-CB 3.17Å; V291-L295 PolarHBondContact O-N 3.36Å; D292-L295 PolarHBondContact O-N 3.49Å; L295-T298 WeakPolarHBondContact CA-OG1 3.36Å; L295-T298 PolarHBondContact O-OG1 3.16Å; L295-T298 VanDerWaalsContact O-OG1 3.1Å; L295-K299 HydrophobicContact CD1-CD 4.45Å; L295-K299 HydrophobicContact CD1-CG 4.43Å; L295-K299 HydrophobicContact CG-CD 4.23Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.41Å; L295-K299 PolarHBondContact O-N 3Å
296A97.3Very high97.4Very high61 Ų6190.7 Ų90.750%0.50448%0.479SS..Hα-helixtrans-63.5-44.6173.300000111.5D292 H294 K299 M300D292-A296 WeakPolarHBondContact O-CB 3.34Å; D292-A296 PolarHBondContact O-N 3.37Å; H294-A296 VanDerWaalsContact C-N 3.35Å; H294-A296 PolarHBondContact O-N 2.87Å; A296-K299 PolarHBondContact O-N 2.85Å; A296-M300 WeakPolarHBondContact O-CB 3.32Å; A296-M300 PolarHBondContact O-N 3.43Å
297K97.6Very high97.4Very high126 Ų12691 Ų9155%0.54848%0.481SS..Hα-helixtrans-62.5-44.6175.6-72.4167.2-177171.60112.4T293 H294 M300 N301T293-K297 VanDerWaalsContact O-CG 3.3Å; T293-K297 WeakPolarHBondContact O-CG 3.42Å; T293-K297 PolarHBondContact O-N 3.47Å; T293-K297 VanDerWaalsContact O-N 3.15Å; H294-K297 PolarHBondContact O-N 2.89Å; K297-M300 PolarHBondContact O-N 3.46Å; K297-N301 VanDerWaalsContact O-CG 3.28Å; K297-N301 PolarHBondContact O-N 3.41Å; K297-N301 PolarHBondContact O-OD1 3.38Å
298T97.6Very high97.4Very high49 Ų4993.3 Ų93.330%0.30149%0.485SS..Hα-helixtrans-68-39.1178.556.60000112.1H294 L295 M300 N301 L302H294-T298 WeakPolarHBondContact O-CG2 3.42Å; H294-T298 PolarHBondContact O-N 2.78Å; H294-T298 PolarHBondContact O-OG1 3.2Å; L295-T298 WeakPolarHBondContact CA-OG1 3.36Å; L295-T298 PolarHBondContact O-OG1 3.16Å; L295-T298 VanDerWaalsContact O-OG1 3.1Å; T298-M300 PolarHBondContact O-N 2.87Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-L302 WeakPolarHBondContact O-CB 3.39Å; T298-L302 WeakPolarHBondContact O-CG 3.14Å; T298-L302 PolarHBondContact O-N 2.92Å
299K98Very high97.5Very high129 Ų12995 Ų9556%0.56149%0.493SS*.Hα-helixtrans-59.5-43.1171.8-76.4173.3177177.10112.2L295 A296 L302 S303L295-K299 HydrophobicContact CD1-CD 4.45Å; L295-K299 HydrophobicContact CD1-CG 4.43Å; L295-K299 HydrophobicContact CG-CD 4.23Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 VanDerWaalsContact O-CG 3.23Å; L295-K299 WeakPolarHBondContact O-CG 3.41Å; L295-K299 PolarHBondContact O-N 3Å; A296-K299 PolarHBondContact O-N 2.85Å; K299-L302 PolarHBondContact O-N 3.25Å; K299-S303 PolarHBondContact O-N 3.49Å
300M97.5Very high97.5Very high119 Ų11994.4 Ų94.459%0.58649%0.49SS*.Hα-helixtrans-62-46.7175.8-171-174.675.800111.7A296 K297 T298 L302 S303 Q304A296-M300 WeakPolarHBondContact O-CB 3.32Å; A296-M300 PolarHBondContact O-N 3.43Å; K297-M300 PolarHBondContact O-N 3.46Å; T298-M300 PolarHBondContact O-N 2.87Å; M300-L302 VanDerWaalsContact C-N 3.35Å; M300-L302 PolarHBondContact O-N 2.99Å; M300-S303 PolarHBondContact O-N 2.91Å; M300-Q304 PolarHBondContact O-N 2.72Å
301N97.7Very high97.5Very high80 Ų8094.7 Ų94.743%0.42849%0.492SS..Hα-helixtrans-63.1-39.4177.8-68.1-5.1000112.3K297 T298 Q304 L305K297-N301 VanDerWaalsContact O-CG 3.28Å; K297-N301 PolarHBondContact O-N 3.41Å; K297-N301 PolarHBondContact O-OD1 3.38Å; T298-N301 PolarHBondContact O-N 3.49Å; N301-Q304 PolarHBondContact O-N 2.94Å; N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 3.19Å
302L97.4Very high97.5Very high115 Ų11594.7 Ų94.760%0.60249%0.485SS*.Hα-helixtrans-62.9-45.6174.9-75.5169.2000111.5T298 K299 M300 Q304 L305 E306T298-L302 WeakPolarHBondContact O-CB 3.39Å; T298-L302 WeakPolarHBondContact O-CG 3.14Å; T298-L302 PolarHBondContact O-N 2.92Å; K299-L302 PolarHBondContact O-N 3.25Å; M300-L302 VanDerWaalsContact C-N 3.35Å; M300-L302 PolarHBondContact O-N 2.99Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.28Å; L302-L305 PolarHBondContact O-N 2.83Å; L302-E306 WeakPolarHBondContact O-CB 3.34Å; L302-E306 PolarHBondContact O-N 2.88Å
303S97.1Very high97.5Very high55 Ų5595.5 Ų95.539%0.38549%0.489SS..Hα-helixtrans-63.9-35.5175.8-174.40000112.3K299 M300 N307K299-S303 PolarHBondContact O-N 3.49Å; M300-S303 PolarHBondContact O-N 2.91Å; S303-N307 WeakPolarHBondContact O-CB 3.48Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 2.98Å
304Q97.1Very high97.4Very high108 Ų10896.3 Ų96.351%0.50549%0.49SS..Hα-helixtrans-64.5-45173.4-175.5177-4.400111.9M300 N301 L302 N307 Q308M300-Q304 PolarHBondContact O-N 2.72Å; N301-Q304 PolarHBondContact O-N 2.94Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 3.28Å; Q304-N307 PolarHBondContact O-N 3.48Å; Q304-Q308 WeakPolarHBondContact O-CG 3.44Å; Q304-Q308 PolarHBondContact O-N 3.02Å
305L97.4Very high97.4Very high94 Ų9496.8 Ų96.849%0.49249%0.487SS..Hα-helixtrans-64-41.8176.5-75165.8000112.1N301 L302 N307 Q308 I309N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 3.19Å; L302-L305 PolarHBondContact O-N 2.83Å; L305-N307 PolarHBondContact O-N 3.41Å; L305-Q308 PolarHBondContact O-N 2.74Å; L305-I309 WeakPolarHBondContact O-CG1 3.46Å; L305-I309 PolarHBondContact O-N 3.46Å
306E97.4Very high97.4Very high119 Ų11998.1 Ų98.156%0.55649%0.494SS*.Hα-helixtrans-59-45.7174.2-178.9177.5-163.400111.3L302 Q308 I309 N310L302-E306 WeakPolarHBondContact O-CB 3.34Å; L302-E306 PolarHBondContact O-N 2.88Å; E306-Q308 PolarHBondContact O-N 2.96Å; E306-I309 PolarHBondContact O-N 3.1Å; E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 PolarHBondContact O-N 3.1Å; E306-N310 PolarHBondContact O-ND2 3.22Å; E306-N310 VanDerWaalsContact O-ND2 3.13Å
307N97.1Very high97.4Very high84 Ų84100.1 Ų100.145%0.44950%0.496SS..Hα-helixtrans-62.7-39174.9-77-51.9000112.8S303 Q304 L305 N310 Q311S303-N307 WeakPolarHBondContact O-CB 3.48Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 2.98Å; Q304-N307 PolarHBondContact O-N 3.48Å; L305-N307 PolarHBondContact O-N 3.41Å; N307-N310 PolarHBondContact O-N 3.09Å; N307-Q311 VanDerWaalsContact O-CG 3.25Å; N307-Q311 WeakPolarHBondContact O-CG 3.4Å; N307-Q311 PolarHBondContact O-N 3.15Å
308Q97.6Very high97.4Very high92 Ų9299 Ų9943%0.4350%0.496SS..Hα-helixtrans-65.3-43.6174.9-74.4177.8-42.900112.2Q304 L305 E306 N310 Q311 E312Q304-Q308 WeakPolarHBondContact O-CG 3.44Å; Q304-Q308 PolarHBondContact O-N 3.02Å; L305-Q308 PolarHBondContact O-N 2.74Å; E306-Q308 PolarHBondContact O-N 2.96Å; Q308-N310 VanDerWaalsContact C-N 3.34Å; Q308-N310 PolarHBondContact O-N 3.45Å; Q308-Q311 PolarHBondContact O-N 3.34Å; Q308-E312 PolarHBondContact O-N 2.85Å
309I97.7Very high97.4Very high103 Ų103100.3 Ų100.353%0.52850%0.499SS..Hα-helixtrans-60.9-45.4175.4-69.7164.5000110.2L305 E306 Q311 E312 L313L305-I309 WeakPolarHBondContact O-CG1 3.46Å; L305-I309 PolarHBondContact O-N 3.46Å; E306-I309 PolarHBondContact O-N 3.1Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.75Å; I309-E312 PolarHBondContact O-N 3.47Å; I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.33Å; I309-L313 WeakPolarHBondContact O-CB 3.19Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.29Å; I309-L313 PolarHBondContact O-N 3.31Å
310N97.2Very high97.3Very high72 Ų7299.2 Ų99.239%0.38550%0.498SS..Hα-helixtrans-62.5-36.6176.4-73.9-36.4000112.3E306 N307 Q308 N314E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 PolarHBondContact O-N 3.1Å; E306-N310 PolarHBondContact O-ND2 3.22Å; E306-N310 VanDerWaalsContact O-ND2 3.13Å; N307-N310 PolarHBondContact O-N 3.09Å; Q308-N310 VanDerWaalsContact C-N 3.34Å; Q308-N310 PolarHBondContact O-N 3.45Å; N310-N314 WeakPolarHBondContact O-CB 3.25Å; N310-N314 PolarHBondContact O-N 3.15Å; N310-N314 PolarHBondContact O-ND2 2.99Å
311Q97.4Very high97.3Very high130 Ų13098.5 Ų98.561%0.60749%0.494SS*.Hα-helixtrans-66.2-47.3175.2-74.9168.413.500112.3N307 Q308 I309 N314 R315N307-Q311 VanDerWaalsContact O-CG 3.25Å; N307-Q311 WeakPolarHBondContact O-CG 3.4Å; N307-Q311 PolarHBondContact O-N 3.15Å; Q308-Q311 PolarHBondContact O-N 3.34Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.75Å; Q311-N314 PolarHBondContact O-N 3.43Å; Q311-R315 WeakPolarHBondContact O-CB 3.39Å; Q311-R315 PolarHBondContact O-N 2.92Å
312E97.6Very high97.2Very high94 Ų9496.3 Ų96.344%0.43949%0.49SS..Hα-helixtrans-66.5-36.9177.4-74-63.4152.600112.3Q308 I309 R315 L316Q308-E312 PolarHBondContact O-N 2.85Å; I309-E312 PolarHBondContact O-N 3.47Å; E312-R315 WeakPolarHBondContact O-CB 3.36Å; E312-R315 PolarHBondContact O-N 3.18Å; E312-R315 IonicContact OE1-NH1 3.26Å; E312-R315 IonicContact OE2-NH1 2.72Å; E312-L316 WeakPolarHBondContact O-CB 3.19Å; E312-L316 VanDerWaalsContact O-CG 3.32Å; E312-L316 WeakPolarHBondContact O-CG 3.37Å; E312-L316 PolarHBondContact O-N 2.93Å
313L97.6Very high97.2Very high103 Ų10398.7 Ų98.754%0.53949%0.492SS..Hα-helixtrans-62-45.5172.9-74.4173.7000112.1I309 R315 L316 L317I309-L313 HydrophobicContact CG2-CD1 3.89Å; I309-L313 HydrophobicContact CG2-CG 4.33Å; I309-L313 WeakPolarHBondContact O-CB 3.19Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.29Å; I309-L313 PolarHBondContact O-N 3.31Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-L316 PolarHBondContact O-N 2.91Å; L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 PolarHBondContact O-N 3.43Å
314N97Very high97.1Very high95 Ų9599.2 Ų99.251%0.50849%0.491SS..Hα-helixtrans-64.2-39.1175.7-80.5-64.9000111.8N310 Q311 L317 N318N310-N314 WeakPolarHBondContact O-CB 3.25Å; N310-N314 PolarHBondContact O-N 3.15Å; N310-N314 PolarHBondContact O-ND2 2.99Å; Q311-N314 PolarHBondContact O-N 3.43Å; N314-L317 PolarHBondContact O-N 3.17Å; N314-N318 WeakPolarHBondContact O-CB 3.44Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 3.46Å; N314-N318 PolarHBondContact O-ND2 2.9Å
315R97.5Very high97Very high132 Ų13299 Ų9950%0.49849%0.489SS..Hα-helixtrans-61-51.9175.1179.4-172167.2-172.8-2.3111.6Q311 E312 L313 L317 N318 E319Q311-R315 WeakPolarHBondContact O-CB 3.39Å; Q311-R315 PolarHBondContact O-N 2.92Å; E312-R315 WeakPolarHBondContact O-CB 3.36Å; E312-R315 PolarHBondContact O-N 3.18Å; E312-R315 IonicContact OE1-NH1 3.26Å; E312-R315 IonicContact OE2-NH1 2.72Å; L313-R315 VanDerWaalsContact C-N 3.33Å; R315-L317 VanDerWaalsContact C-N 3.27Å; R315-L317 PolarHBondContact O-N 2.99Å; R315-N318 PolarHBondContact O-N 3.47Å; R315-E319 IonicContact CZ-OE1 2.85Å; R315-E319 IonicContact NE-OE1 2.68Å; R315-E319 PolarHBondContact NE-OE1 3.42Å; R315-E319 IonicContact NH2-OE1 3.1Å; R315-E319 PolarHBondContact NH2-OE1 2.9Å; R315-E319 WeakPolarHBondContact O-CG 3.44Å; R315-E319 PolarHBondContact O-N 3.45Å
316L97.9Very high96.9Very high100 Ų10099.8 Ų99.852%0.52449%0.49SS..Hα-helixtrans-61.8-35.7178.7-71.5171000112E312 L313 L320E312-L316 WeakPolarHBondContact O-CB 3.19Å; E312-L316 VanDerWaalsContact O-CG 3.32Å; E312-L316 WeakPolarHBondContact O-CG 3.37Å; E312-L316 PolarHBondContact O-N 2.93Å; L313-L316 PolarHBondContact O-N 2.91Å; L316-L320 VanDerWaalsContact O-CB 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.44Å; L316-L320 PolarHBondContact O-N 3.4Å
317L97.2Very high96.8Very high104 Ų104102 Ų10255%0.54549%0.494SS..Hα-helixtrans-66.1-43.8175.1-170.2148.4000111.6L313 N314 R315 L320 E321L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 PolarHBondContact O-N 3.43Å; N314-L317 PolarHBondContact O-N 3.17Å; R315-L317 VanDerWaalsContact C-N 3.27Å; R315-L317 PolarHBondContact O-N 2.99Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-E321 PolarHBondContact O-N 2.83Å
318N96.5Very high96.6Very high102 Ų102106.7 Ų106.755%0.54551%0.505SS..Hα-helixtrans-65.3-42.2175.2-70.7-26.4000112.4N314 R315 E321 G322N314-N318 WeakPolarHBondContact O-CB 3.44Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 3.46Å; N314-N318 PolarHBondContact O-ND2 2.9Å; R315-N318 PolarHBondContact O-N 3.47Å; N318-E321 PolarHBondContact O-N 2.91Å; N318-G322 PolarHBondContact O-N 3.48Å
319E97.1Very high96.4Very high77 Ų77107.8 Ų107.836%0.3651%0.513SS..Hα-helixtrans-61.2-46.4174.6-73178.2-168.100110.5R315 E321 G322 Y323R315-E319 IonicContact CZ-OE1 2.85Å; R315-E319 IonicContact NE-OE1 2.68Å; R315-E319 PolarHBondContact NE-OE1 3.42Å; R315-E319 IonicContact NH2-OE1 3.1Å; R315-E319 PolarHBondContact NH2-OE1 2.9Å; R315-E319 WeakPolarHBondContact O-CG 3.44Å; R315-E319 PolarHBondContact O-N 3.45Å; E319-E321 PolarHBondContact O-N 2.88Å; E319-G322 PolarHBondContact O-N 3.05Å; E319-Y323 HydrophobicContact CB-CE2 4.46Å; E319-Y323 WeakPolarHBondContact O-CD2 3.48Å; E319-Y323 PolarHBondContact O-N 2.85Å
320L97.2Very high96Very high106 Ų106107.3 Ų107.356%0.55551%0.511SS*.Hα-helixtrans-62.1-39.2175.7-178.663.3000112.4L316 L317 N324L316-L320 VanDerWaalsContact O-CB 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.44Å; L316-L320 PolarHBondContact O-N 3.4Å; L317-L320 PolarHBondContact O-N 3.49Å; L320-N324 WeakPolarHBondContact O-CB 3.28Å; L320-N324 PolarHBondContact O-N 2.81Å; L320-N324 PolarHBondContact O-ND2 3.19Å
321E96.8Very high95.7Very high104 Ų104109.2 Ų109.249%0.48652%0.521SS..Hα-helixtrans-64.1-45.6174.4-163.3-175157.400110.9L317 N318 E319 Y323 N324 Q325L317-E321 PolarHBondContact O-N 2.83Å; N318-E321 PolarHBondContact O-N 2.91Å; E319-E321 PolarHBondContact O-N 2.88Å; E321-Y323 PolarHBondContact O-N 3.08Å; E321-N324 CarbonylContact O-C 3.57Å; E321-N324 WeakPolarHBondContact O-CA 3.48Å; E321-N324 WeakPolarHBondContact O-CB 3.46Å; E321-N324 PolarHBondContact O-N 2.87Å; E321-N324 VanDerWaalsContact O-N 3.08Å; E321-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CG 3.26Å; E321-Q325 PolarHBondContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 2.94Å
322G96.5Very high95.2Very high34 Ų34110.9 Ų110.935%0.35153%0.526SS..Hα-helixtrans-56.7-45.8175.100000113.1N318 E319 N324 Q325 H326N318-G322 PolarHBondContact O-N 3.48Å; E319-G322 PolarHBondContact O-N 3.05Å; G322-N324 VanDerWaalsContact C-N 3.34Å; G322-N324 PolarHBondContact O-N 3.48Å; G322-Q325 PolarHBondContact O-N 2.84Å; G322-H326 WeakPolarHBondContact O-CB 3.33Å; G322-H326 PolarHBondContact O-N 3.28Å
323Y96.3Very high94.4Very high165 Ų165110.2 Ų110.265%0.64753%0.532SS*.Hα-helixtrans-62.5-38.5173.8-73.1-60.1000112.6E319 E321 H326 R327E319-Y323 HydrophobicContact CB-CE2 4.46Å; E319-Y323 WeakPolarHBondContact O-CD2 3.48Å; E319-Y323 PolarHBondContact O-N 2.85Å; E321-Y323 PolarHBondContact O-N 3.08Å; Y323-H326 PolarHBondContact O-N 3.48Å; Y323-R327 WeakPolarHBondContact O-CB 3.26Å; Y323-R327 PolarHBondContact O-N 2.91Å
324N95.7Very high93.4Very high66 Ų66109 Ų10935%0.35354%0.537SS..Hα-helixtrans-67.2-40.3175.2-85.1-73.2000112.4L320 E321 G322 R327 R328L320-N324 WeakPolarHBondContact O-CB 3.28Å; L320-N324 PolarHBondContact O-N 2.81Å; L320-N324 PolarHBondContact O-ND2 3.19Å; E321-N324 CarbonylContact O-C 3.57Å; E321-N324 WeakPolarHBondContact O-CA 3.48Å; E321-N324 WeakPolarHBondContact O-CB 3.46Å; E321-N324 PolarHBondContact O-N 2.87Å; E321-N324 VanDerWaalsContact O-N 3.08Å; G322-N324 VanDerWaalsContact C-N 3.34Å; G322-N324 PolarHBondContact O-N 3.48Å; N324-R327 PolarHBondContact O-N 3.36Å; N324-R328 VanDerWaalsContact O-CG 3.28Å; N324-R328 WeakPolarHBondContact O-CG 3.37Å; N324-R328 PolarHBondContact O-N 3.41Å
325Q95.7Very high91.7Very high103 Ų103107.5 Ų107.548%0.48154%0.544SS..Hα-helixtrans-62.9-46.4174.1-68.6177.714.800110.9E321 G322 R327 R328 L329E321-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CG 3.26Å; E321-Q325 PolarHBondContact O-N 3.11Å; E321-Q325 PolarHBondContact OE1-NE2 2.94Å; G322-Q325 PolarHBondContact O-N 2.84Å; Q325-R327 PolarHBondContact O-N 3.44Å; Q325-R328 WeakPolarHBondContact O-CB 3.49Å; Q325-R328 PolarHBondContact O-N 3.26Å; Q325-L329 WeakPolarHBondContact O-CG 3.33Å; Q325-L329 PolarHBondContact O-N 3.37Å
326H94.8Very high89.9Confident110 Ų110105.7 Ų105.751%0.50955%0.551SS.*Hα-helixtrans-60.3-44.8175.8-174.173.9000112.2G322 Y323 R328 L329 L330G322-H326 WeakPolarHBondContact O-CB 3.33Å; G322-H326 PolarHBondContact O-N 3.28Å; Y323-H326 PolarHBondContact O-N 3.48Å; H326-R328 VanDerWaalsContact C-N 3.33Å; H326-R328 PolarHBondContact O-N 3.05Å; H326-L329 WeakPolarHBondContact O-CB 3.25Å; H326-L329 PolarHBondContact O-N 2.78Å; H326-L329 VanDerWaalsContact O-N 3.15Å; H326-L330 PolarHBondContact O-N 3.38Å
327R95.2Very high87.8Confident167 Ų167104.4 Ų104.463%0.6356%0.562SS**Hα-helixtrans-59.7-40.5174.9-174.9177.7-179.8178.41.1112.3Y323 N324 Q325 L330 L331Y323-R327 WeakPolarHBondContact O-CB 3.26Å; Y323-R327 PolarHBondContact O-N 2.91Å; N324-R327 PolarHBondContact O-N 3.36Å; Q325-R327 PolarHBondContact O-N 3.44Å; R327-L330 PolarHBondContact O-N 3.09Å; R327-L331 HydrophobicContact CG-CD1 4.17Å; R327-L331 VanDerWaalsContact O-CG 3.32Å; R327-L331 WeakPolarHBondContact O-CG 3.39Å; R327-L331 PolarHBondContact O-N 3.19Å
328R93.6Very high85.6Confident181 Ų181104.9 Ų104.968%0.68357%0.574SS**Hα-helixtrans-62.9-39.6174.9-72.8170.7-174.7-169.34111.9N324 Q325 H326 K332N324-R328 VanDerWaalsContact O-CG 3.28Å; N324-R328 WeakPolarHBondContact O-CG 3.37Å; N324-R328 PolarHBondContact O-N 3.41Å; Q325-R328 WeakPolarHBondContact O-CB 3.49Å; Q325-R328 PolarHBondContact O-N 3.26Å; H326-R328 VanDerWaalsContact C-N 3.33Å; H326-R328 PolarHBondContact O-N 3.05Å; R328-K332 WeakPolarHBondContact O-CB 3.48Å; R328-K332 PolarHBondContact O-N 2.89Å
329L92Very high83.6Confident115 Ų115105 Ų10560%0.60258%0.583SS**Hα-helixtrans-65.3-46.5176.4-68.5171.8000112.1Q325 H326 L331 K332 S333Q325-L329 WeakPolarHBondContact O-CG 3.33Å; Q325-L329 PolarHBondContact O-N 3.37Å; H326-L329 WeakPolarHBondContact O-CB 3.25Å; H326-L329 PolarHBondContact O-N 2.78Å; H326-L329 VanDerWaalsContact O-N 3.15Å; L329-L331 PolarHBondContact O-N 2.94Å; L329-K332 WeakPolarHBondContact O-CB 3.44Å; L329-K332 PolarHBondContact O-N 3.24Å; L329-S333 PolarHBondContact O-N 3.11Å; L329-S333 PolarHBondContact O-OG 3.18Å
330L90.8Very high81.5Confident93 Ų93110 Ų11049%0.48761%0.607SS.*Hα-helixtrans-58.2-48.1176.2-70.7175.3000111.8H326 R327 K332 S333 A334H326-L330 PolarHBondContact O-N 3.38Å; R327-L330 PolarHBondContact O-N 3.09Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 2.87Å; L330-S333 PolarHBondContact O-N 2.83Å; L330-S333 PolarHBondContact O-OG 3.13Å; L330-A334 PolarHBondContact O-N 3.17Å
331L88.8Confident79.4Confident112 Ų112110.2 Ų110.259%0.58661%0.614SS**Hα-helixtrans-61-38.1176.6-70.8170.4000112.2R327 L329 A334 G335R327-L331 HydrophobicContact CG-CD1 4.17Å; R327-L331 VanDerWaalsContact O-CG 3.32Å; R327-L331 WeakPolarHBondContact O-CG 3.39Å; R327-L331 PolarHBondContact O-N 3.19Å; L329-L331 PolarHBondContact O-N 2.94Å; L331-A334 PolarHBondContact O-N 2.84Å; L331-G335 PolarHBondContact O-N 3.24Å
332K87.2Confident77.5Confident166 Ų166116.4 Ų116.472%0.72263%0.633SS**Hα-helixtrans-64.6-38.9175.9-168.4175.9-179.1-178.70112.1R328 L329 L330R328-K332 WeakPolarHBondContact O-CB 3.48Å; R328-K332 PolarHBondContact O-N 2.89Å; L329-K332 WeakPolarHBondContact O-CB 3.44Å; L329-K332 PolarHBondContact O-N 3.24Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 2.87Å
333S82.1Confident75.5Confident80 Ų80119.9 Ų119.956%0.55965%0.649SS**Hα-helixtrans-71.7-32.717558.70000113.9L329 L330 S336L329-S333 PolarHBondContact O-N 3.11Å; L329-S333 PolarHBondContact O-OG 3.18Å; L330-S333 PolarHBondContact O-N 2.83Å; L330-S333 PolarHBondContact O-OG 3.13Å; S333-S336 PolarHBondContact O-OG 2.64Å; S333-S336 VanDerWaalsContact O-OG 3.1Å
334A75Confident73.6Confident78 Ų78117.8 Ų117.865%0.64566%0.659SS**Hα-helixtrans-72.5-33.4175.900000112.4L330 L331 S336L330-A334 PolarHBondContact O-N 3.17Å; L331-A334 PolarHBondContact O-N 2.84Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-S336 PolarHBondContact O-N 2.78Å
335G62.7Low71.9Confident63 Ų63121.8 Ų121.865%0.64968%0.68SS**Hα-helixtrans-73-16.9-178.300000115.7L331L331-G335 PolarHBondContact O-N 3.24Å
336S59Low69.8Low93 Ų93120.6 Ų120.665%0.6570%0.696SS**THydrogen-bonded Turntrans-88.43.3-173.947.10000115.7S333 A334S333-S336 PolarHBondContact O-OG 2.64Å; S333-S336 VanDerWaalsContact O-OG 3.1Å; A334-S336 VanDerWaalsContact C-N 3.34Å; A334-S336 PolarHBondContact O-N 2.78Å
337G54.4Low68.3Low73 Ų73121.9 Ų121.975%0.75371%0.711SS**THydrogen-bonded Turntrans-102.12.1-171.900000117.1
338S51.4Low66.1Low114 Ų114118.6 Ų118.680%0.79772%0.719SS**  trans-119.356.9-165.6-178.90000114.3
339S52.7Low63.9Low106 Ų106119.7 Ų119.774%0.74175%0.746SS**  trans-146.755.7171.347.10000111.9P341S339-P341 VanDerWaalsContact O-CD 3.29Å; S339-P341 WeakPolarHBondContact O-CD 3.42Å
340Q54.3Low62.5Low182 Ų182120 Ų12085%0.8575%0.753SS**PPolyproline II helixtrans-70.1116.9171.6-170.6-178.34.300109.7
341P53.6Low61Low109 Ų109121.4 Ų121.471%0.70877%0.767SS**PPolyproline II helixtrans-71.6134.2172.930.2-32.5000109.3S339S339-P341 VanDerWaalsContact O-CD 3.29Å; S339-P341 WeakPolarHBondContact O-CD 3.42Å
342R55Low59.5Low234 Ų234121.9 Ų121.988%0.88378%0.777SS**PPolyproline II helixtrans-61132.2169.9-75.9179.3169.4-178.3-4.7109.1S344R342-S344 PolarHBondContact O-N 2.86Å
343P56.2Low57.8Low107 Ų107119.3 Ų119.370%0.69578%0.78SS**PPolyproline II helixtrans-67.6127.716429.4-31.4000108.4D345P343-D345 PolarHBondContact O-N 3.44Å
344S55.9Low56.3Low122 Ų122121.8 Ų121.885%0.85379%0.794SS**  trans-81.199.1170.7-62.90000108.7R342 G346R342-S344 PolarHBondContact O-N 2.86Å; S344-G346 PolarHBondContact O-N 3.37Å
345D60.5Low55.1Low150 Ų150124.7 Ų124.780%0.80280%0.804SS**  trans-65.8113.2168.7-76.2-38.3000109.5P343 V347P343-D345 PolarHBondContact O-N 3.44Å; D345-V347 PolarHBondContact O-N 3.36Å
346G50.7Low54.5Low78 Ų78129.1 Ų129.180%0.80482%0.815SS**  trans-77.8111.3174.200000110.6S344S344-G346 PolarHBondContact O-N 3.37Å
347V62.9Low54.2Low136 Ų136131.8 Ų131.882%0.82483%0.828SS**  trans-88.1117.1164.2178.30000108.1D345D345-V347 PolarHBondContact O-N 3.36Å
348A50.4Low54.2Low98 Ų98136.8 Ų136.881%0.8183%0.834SS**  trans-119.382.617300000110
349V46.6Very low54.4Low205 Ų205138.8 Ų138.8100%1.24284%0.838SS**  trans-1460153.4-179.80000106.9

Retrieved 349 of 349 residues in 56.2 ms (Link to these results)