A0A3Q0KGT8_SCHMA Loading...

DUF862 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 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
1M86.9Confident91.7Very high169 Ų16940.8 Ų40.883%0.83321%0.206SC*.  0138.10-74.6-176.2133.700107.9K71 T72 A73M1-K71 HydrophobicContact CB-CB 4.31Å; M1-T72 CarbonylContact C-O 3.58Å; M1-T72 WeakPolarHBondContact CA-O 3.44Å; M1-T72 WeakPolarHBondContact CB-O 3.49Å; M1-A73 HydrophobicContact CE-CB 3.98Å; M1-A73 HydrophobicContact CG-CB 4.32Å
2S92.1Very high89.8Confident27 Ų2739.2 Ų39.219%0.18920%0.201CC..EExtended strand (participates in β ladder)trans-118.2141.6-173.5-58.30000110.1Y39 K71 T72S2-Y39 WeakPolarHBondContact OG-CE1 3.34Å; S2-Y39 PolarHBondContact OG-OH 3.07Å; S2-K71 CarbonylContact O-C 3.47Å; S2-K71 VanDerWaalsContact O-CA 3.26Å; S2-K71 WeakPolarHBondContact O-CA 3.1Å; S2-T72 PolarHBondContact N-O 3.42Å; S2-T72 PolarHBondContact O-N 3.27Å
3D97.5Very high88.4Confident69 Ų6941.7 Ų41.737%0.36924%0.243SC..EExtended strand (participates in β ladder)trans-72.7137.6-179.2-66-20.1000110.2F5 F68 K71D3-F5 HydrophobicContact CB-CD2 4.45Å; D3-F5 HydrophobicContact CB-CE2 3.61Å; D3-F5 HydrophobicContact CB-CZ 4.07Å; D3-F68 HydrophobicContact CB-CD2 4.46Å; D3-F68 HydrophobicContact CB-CE2 3.86Å; D3-K71 VanDerWaalsContact OD1-CD 3.28Å; D3-K71 WeakPolarHBondContact OD1-CD 3.38Å; D3-K71 WeakPolarHBondContact OD1-CE 3.43Å; D3-K71 WeakPolarHBondContact OD1-CG 3.44Å; D3-K71 IonicContact OD1-NZ 3.67Å; D3-K71 PolarHBondContact OD1-NZ 3.37Å
4V98.1Very high87.1Confident0 Ų040.9 Ų40.90%025%0.247CC..EExtended strand (participates in β ladder)trans-114.8129.6179.5-176.30000108.5L38 M69 G70 T72 I111 L114 T115V4-L38 HydrophobicContact CG2-CB 4.49Å; V4-L38 HydrophobicContact CG2-CD1 4.24Å; V4-M69 HydrophobicContact CG1-CB 4.42Å; V4-M69 PolarHBondContact O-N 3.12Å; V4-G70 PolarHBondContact N-O 3.03Å; V4-T72 HydrophobicContact CG2-CG2 3.9Å; V4-I111 HydrophobicContact CG1-CG1 4.32Å; V4-L114 HydrophobicContact CG1-CD1 3.91Å; V4-L114 HydrophobicContact CG2-CB 4.3Å; V4-L114 HydrophobicContact CG2-CD1 4.25Å; V4-T115 HydrophobicContact CB-CG2 3.78Å; V4-T115 HydrophobicContact CG1-CG2 4.16Å; V4-T115 HydrophobicContact CG2-CG2 3.74Å
5F98.3Very high85.8Confident68 Ų6844.9 Ų44.930%0.29827%0.266SS..EExtended strand (participates in β ladder)trans-121.3149178.6-61.2-92.2000111.2D3 Y7 A36 V37 Q67 F68D3-F5 HydrophobicContact CB-CD2 4.45Å; D3-F5 HydrophobicContact CB-CE2 3.61Å; D3-F5 HydrophobicContact CB-CZ 4.07Å; F5-Y7 HydrophobicContact CB-CD1 4.26Å; F5-Y7 HydrophobicContact CB-CE1 4.04Å; F5-A36 CarbonylContact O-C 3.39Å; F5-A36 WeakPolarHBondContact O-CA 3.39Å; F5-V37 HydrophobicContact CB-CB 4.22Å; F5-V37 PolarHBondContact N-O 3.23Å; F5-V37 PolarHBondContact O-N 2.98Å; F5-Q67 CarbonylContact C-O 3.54Å; F5-Q67 VanDerWaalsContact CA-O 3.26Å; F5-Q67 WeakPolarHBondContact CA-O 3.25Å; F5-F68 HydrophobicContact CD1-CB 4.09Å; F5-F68 HydrophobicContact CD1-CD2 4.22Å; F5-F68 HydrophobicContact CE1-CB 3.94Å; F5-F68 AromaticContact CE1-CD2 3.77Å; F5-F68 HydrophobicContact CE1-CD2 3.77Å; F5-F68 HydrophobicContact CE1-CG 4.34Å; F5-F68 AromaticContact CZ-CD2 3.96Å; F5-F68 HydrophobicContact CZ-CD2 3.96Å
6L98.3Very high84.7Confident0 Ų042.8 Ų42.80%026%0.256CS..EExtended strand (participates in β ladder)trans-102.2120.9166177.671.8000108I8 T34 Q67 M69 I111 I119 P120 I123L6-I8 HydrophobicContact CD2-CD1 3.97Å; L6-I8 HydrophobicContact CD2-CG1 3.88Å; L6-I8 HydrophobicContact CG-CD1 4.42Å; L6-I8 HydrophobicContact CG-CG1 3.88Å; L6-T34 HydrophobicContact CD1-CG2 3.98Å; L6-T34 HydrophobicContact CG-CG2 4.47Å; L6-Q67 HydrophobicContact CB-CB 4.4Å; L6-Q67 PolarHBondContact N-O 2.83Å; L6-Q67 PolarHBondContact O-N 3.28Å; L6-M69 HydrophobicContact CB-CG 3.6Å; L6-M69 HydrophobicContact CB-SD 3.95Å; L6-M69 HydrophobicContact CD2-SD 4.37Å; L6-I111 HydrophobicContact CB-CD1 3.92Å; L6-I111 HydrophobicContact CD1-CD1 3.54Å; L6-I111 HydrophobicContact CG-CD1 4.29Å; L6-I119 HydrophobicContact CD1-CG2 3.94Å; L6-I119 HydrophobicContact CD2-CB 3.85Å; L6-I119 HydrophobicContact CD2-CG2 3.9Å; L6-P120 HydrophobicContact CD2-CG 4.43Å; L6-I123 HydrophobicContact CD2-CD1 4.41Å
7Y97Very high84.2Confident21 Ų2142.9 Ų42.98%0.08226%0.259CS..EExtended strand (participates in β ladder)trans-94.1127.8171-80.321.6000108.1F5 T34 A35 V37 P55 C56 P63 K66F5-Y7 HydrophobicContact CB-CD1 4.26Å; F5-Y7 HydrophobicContact CB-CE1 4.04Å; Y7-T34 VanDerWaalsContact O-CA 3.24Å; Y7-T34 WeakPolarHBondContact O-CA 3Å; Y7-A35 PolarHBondContact N-O 3.19Å; Y7-A35 PolarHBondContact O-N 3.2Å; Y7-V37 HydrophobicContact CD1-CB 4.13Å; Y7-V37 HydrophobicContact CD1-CG2 3.58Å; Y7-V37 HydrophobicContact CD2-CG2 3.6Å; Y7-V37 HydrophobicContact CE1-CB 3.94Å; Y7-V37 HydrophobicContact CE1-CG1 4.2Å; Y7-V37 HydrophobicContact CE1-CG2 3.72Å; Y7-V37 HydrophobicContact CE2-CG2 3.77Å; Y7-V37 HydrophobicContact CG-CG2 3.53Å; Y7-P55 HydrophobicContact CE2-CB 3.93Å; Y7-C56 VanDerWaalsContact CE2-SG 3.58Å; Y7-P63 HydrophobicContact CD1-CG 4.39Å; Y7-P63 HydrophobicContact CD2-CB 4.17Å; Y7-P63 HydrophobicContact CD2-CG 3.58Å; Y7-P63 HydrophobicContact CE2-CG 3.97Å; Y7-P63 HydrophobicContact CG-CB 4.09Å; Y7-P63 HydrophobicContact CG-CG 3.8Å; Y7-K66 HydrophobicContact CD1-CB 4.15Å; Y7-K66 HydrophobicContact CD1-CD 4.48Å; Y7-K66 HydrophobicContact CD1-CG 3.86Å; Y7-K66 HydrophobicContact CE1-CB 3.94Å; Y7-K66 HydrophobicContact CE1-CD 3.73Å; Y7-K66 HydrophobicContact CE1-CG 3.58Å; Y7-K66 HydrophobicContact CE2-CD 4.38Å; Y7-K66 HydrophobicContact CG-CG 4.46Å; Y7-K66 PolarHBondContact OH-NZ 3.49Å
8I94.8Very high83.7Confident1 Ų150.4 Ų50.41%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-118.1126.3-176.4-54.5164.6000108L6 W32 T34 P63 L64 K65 I123L6-I8 HydrophobicContact CD2-CD1 3.97Å; L6-I8 HydrophobicContact CD2-CG1 3.88Å; L6-I8 HydrophobicContact CG-CD1 4.42Å; L6-I8 HydrophobicContact CG-CG1 3.88Å; I8-W32 HydrophobicContact CG2-CE3 3.94Å; I8-W32 HydrophobicContact CG2-CZ3 4.42Å; I8-T34 HydrophobicContact CG1-CG2 4.21Å; I8-P63 CarbonylContact O-C 3.57Å; I8-P63 WeakPolarHBondContact O-CA 3.12Å; I8-P63 WeakPolarHBondContact O-CB 3.43Å; I8-L64 WeakPolarHBondContact O-CB 3.08Å; I8-L64 PolarHBondContact O-N 2.9Å; I8-K65 HydrophobicContact CB-CB 4.29Å; I8-K65 HydrophobicContact CD1-CB 4.24Å; I8-K65 HydrophobicContact CD1-CD 4.18Å; I8-K65 PolarHBondContact N-O 3.11Å; I8-K65 PolarHBondContact O-N 2.85Å; I8-K65 VanDerWaalsContact O-N 3.16Å; I8-I123 HydrophobicContact CD1-CD1 3.82Å; I8-I123 HydrophobicContact CG1-CD1 3.89Å; I8-I123 HydrophobicContact CG2-CD1 3.98Å
9Y88Confident83.1Confident5 Ų553.6 Ų53.62%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-118.6147.9178.1-57.4-96000109.6W32 H33 E42 L60 G61 P63Y9-W32 WeakPolarHBondContact O-CA 3.43Å; Y9-H33 AromaticContact CD2-CD2 3.91Å; Y9-H33 PolarHBondContact N-O 2.62Å; Y9-H33 PolarHBondContact O-N 3.12Å; Y9-E42 WeakPolarHBondContact CE2-OE1 3.43Å; Y9-E42 PolarHBondContact OH-OE1 3.48Å; Y9-E42 PolarHBondContact OH-OE2 2.95Å; Y9-L60 HydrophobicContact CD1-CB 3.5Å; Y9-L60 VanDerWaalsContact CD1-CB 3.5Å; Y9-L60 HydrophobicContact CD1-CD1 4.1Å; Y9-L60 HydrophobicContact CD1-CG 4.46Å; Y9-L60 HydrophobicContact CD2-CD1 4.17Å; Y9-L60 HydrophobicContact CE1-CB 3.81Å; Y9-L60 HydrophobicContact CG-CB 4.1Å; Y9-L60 HydrophobicContact CG-CD1 3.82Å; Y9-G61 WeakPolarHBondContact CE1-O 3.27Å; Y9-P63 HydrophobicContact CD1-CB 4.17Å; Y9-P63 HydrophobicContact CD2-CB 4.45Å; Y9-P63 VanDerWaalsContact CE1-CA 3.4Å; Y9-P63 HydrophobicContact CE1-CB 3.82Å; Y9-P63 VanDerWaalsContact CE1-N 3.31Å; Y9-P63 HydrophobicContact CE2-CB 4.14Å; Y9-P63 HydrophobicContact CG-CB 4.47Å
10D81.9Confident82.7Confident28 Ų2851.2 Ų51.215%0.1528%0.281CS..EExtended strand (participates in β ladder)trans-105.8108.5166.5175.117.6000109S12 G13 G14 G30 I31 W32 L64D10-S12 PolarHBondContact O-N 3.23Å; D10-S12 WeakPolarHBondContact OD1-CB 3.31Å; D10-S12 PolarHBondContact OD1-N 3.09Å; D10-S12 PolarHBondContact OD1-OG 2.72Å; D10-S12 PolarHBondContact OD2-OG 3.36Å; D10-G13 PolarHBondContact O-N 3.33Å; D10-G13 VanDerWaalsContact O-N 3.11Å; D10-G14 WeakPolarHBondContact OD2-CA 3.45Å; D10-G14 PolarHBondContact OD2-N 2.93Å; D10-G30 WeakPolarHBondContact OD1-CA 3.35Å; D10-I31 WeakPolarHBondContact CA-O 3.45Å; D10-I31 PolarHBondContact OD1-N 3.23Å; D10-W32 HydrophobicContact CB-CE3 4.43Å; D10-W32 HydrophobicContact CB-CZ3 4.07Å; D10-L64 HydrophobicContact CB-CD2 4.3Å
11L75.9Confident82.4Confident61 Ų6151.9 Ų51.932%0.31929%0.288SS..THydrogen-bonded Turntrans-64.3-18.5178.8-61.5179.9000112.8I31 H33 L60 I150L11-I31 HydrophobicContact CB-CB 4.09Å; L11-I31 HydrophobicContact CB-CG2 4.04Å; L11-I31 HydrophobicContact CD1-CG2 4Å; L11-I31 HydrophobicContact CG-CG2 4.38Å; L11-I31 PolarHBondContact N-O 2.96Å; L11-H33 HydrophobicContact CD1-CB 4.07Å; L11-H33 HydrophobicContact CD2-CB 3.8Å; L11-H33 HydrophobicContact CG-CB 3.82Å; L11-L60 HydrophobicContact CD2-CD1 3.71Å; L11-L60 HydrophobicContact CD2-CD2 3.38Å; L11-L60 HydrophobicContact CD2-CG 4.2Å; L11-I150 HydrophobicContact CD1-CD1 3.8Å
12S68.8Low81.9Confident21 Ų2147.4 Ų47.415%0.14729%0.285CS..THydrogen-bonded Turntrans-86.2-9.4177.2800000113.7D10 G14 L15 A16D10-S12 PolarHBondContact O-N 3.23Å; D10-S12 WeakPolarHBondContact OD1-CB 3.31Å; D10-S12 PolarHBondContact OD1-N 3.09Å; D10-S12 PolarHBondContact OD1-OG 2.72Å; D10-S12 PolarHBondContact OD2-OG 3.36Å; S12-G14 PolarHBondContact O-N 3.45Å; S12-G14 PolarHBondContact OG-N 3.39Å; S12-L15 VanDerWaalsContact O-CB 3.31Å; S12-L15 WeakPolarHBondContact O-CB 3.44Å; S12-L15 VanDerWaalsContact O-CG 3.3Å; S12-L15 WeakPolarHBondContact O-CG 3.26Å; S12-L15 PolarHBondContact O-N 2.94Å; S12-L15 VanDerWaalsContact O-N 3.09Å; S12-L15 PolarHBondContact OG-N 2.67Å; S12-A16 WeakPolarHBondContact OG-CB 3.39Å; S12-A16 PolarHBondContact OG-N 3.39Å
13G71.6Confident80.9Confident72 Ų7250 Ų5074%0.74230%0.299SS*.THydrogen-bonded Turntrans58.329.1-175.600000114.1D10D10-G13 PolarHBondContact O-N 3.33Å; D10-G13 VanDerWaalsContact O-N 3.11Å
14G69.8Low79.8Confident30 Ų3048 Ų4831%0.30929%0.289SS..THydrogen-bonded Turntrans96.7-13.8-176.700000114.8D10 S12 A16 S17D10-G14 WeakPolarHBondContact OD2-CA 3.45Å; D10-G14 PolarHBondContact OD2-N 2.93Å; S12-G14 PolarHBondContact O-N 3.45Å; S12-G14 PolarHBondContact OG-N 3.39Å; G14-A16 VanDerWaalsContact C-N 3.34Å; G14-A16 PolarHBondContact O-N 3.23Å; G14-S17 PolarHBondContact O-N 3.47Å; G14-S17 PolarHBondContact O-OG 2.9Å
15L68.1Low78.8Confident102 Ų10251.2 Ų51.253%0.53432%0.322SS..Hα-helixtrans-67.6-30.5-175.1-63.6-177.8000113.5S12 S17 Y18 F19S12-L15 VanDerWaalsContact O-CB 3.31Å; S12-L15 WeakPolarHBondContact O-CB 3.44Å; S12-L15 VanDerWaalsContact O-CG 3.3Å; S12-L15 WeakPolarHBondContact O-CG 3.26Å; S12-L15 PolarHBondContact O-N 2.94Å; S12-L15 VanDerWaalsContact O-N 3.09Å; S12-L15 PolarHBondContact OG-N 2.67Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.33Å; L15-Y18 PolarHBondContact O-N 3.49Å; L15-Y18 VanDerWaalsContact O-N 3.14Å; L15-F19 HydrophobicContact CB-CD2 4.09Å; L15-F19 HydrophobicContact CB-CE2 4.33Å; L15-F19 HydrophobicContact CD2-CE2 4.04Å; L15-F19 WeakPolarHBondContact O-CD2 3.21Å; L15-F19 PolarHBondContact O-N 3Å
16A68.1Low78Confident11 Ų1151.5 Ų51.59%0.09132%0.324CS..Hα-helixtrans-59-43.6177.400000111.1S12 G14 Y18 F19 S20 I28 I31S12-A16 WeakPolarHBondContact OG-CB 3.39Å; S12-A16 PolarHBondContact OG-N 3.39Å; G14-A16 VanDerWaalsContact C-N 3.34Å; G14-A16 PolarHBondContact O-N 3.23Å; A16-Y18 PolarHBondContact O-N 2.84Å; A16-F19 PolarHBondContact O-N 3.45Å; A16-S20 WeakPolarHBondContact O-CB 3.29Å; A16-S20 PolarHBondContact O-N 2.97Å; A16-S20 PolarHBondContact O-OG 3.36Å; A16-I28 CarbonylContact C-O 3.16Å; A16-I28 HydrophobicContact CB-CD1 4.12Å; A16-I28 HydrophobicContact CB-CG1 4.25Å; A16-I31 HydrophobicContact CB-CG1 4.18Å
17S76.8Confident77.4Confident44 Ų4457.6 Ų57.631%0.30835%0.35SS..Hα-helixtrans-60.3-29.2178.378.40000113.9G14 L15 I28G14-S17 PolarHBondContact O-N 3.47Å; G14-S17 PolarHBondContact O-OG 2.9Å; L15-S17 VanDerWaalsContact C-N 3.29Å; L15-S17 PolarHBondContact O-N 3.33Å; S17-I28 WeakPolarHBondContact CA-O 3.39Å; S17-I28 PolarHBondContact N-O 2.98Å
18Y74.7Confident76.8Confident179 Ų17957.2 Ų57.270%0.70235%0.349SS*.Hα-helixtrans-87.2-45.9-177.7-171.3-98.6000112.2L15 A16L15-Y18 PolarHBondContact O-N 3.49Å; L15-Y18 VanDerWaalsContact O-N 3.14Å; A16-Y18 PolarHBondContact O-N 2.84Å
19F71.9Confident76.3Confident111 Ų11162 Ų6249%0.48738%0.375SS..Hα-helixtrans-93.4-26.8-171.5-70.7-63.5000114.8L15 A16 P21 G22 V23L15-F19 HydrophobicContact CB-CD2 4.09Å; L15-F19 HydrophobicContact CB-CE2 4.33Å; L15-F19 HydrophobicContact CD2-CE2 4.04Å; L15-F19 WeakPolarHBondContact O-CD2 3.21Å; L15-F19 PolarHBondContact O-N 3Å; A16-F19 PolarHBondContact O-N 3.45Å; F19-P21 VanDerWaalsContact C-N 3.31Å; F19-G22 PolarHBondContact O-N 3.49Å; F19-V23 HydrophobicContact CB-CG2 4.46Å; F19-V23 PolarHBondContact O-N 3.39Å
20S75.2Confident75.9Confident5 Ų561.7 Ų61.74%0.03537%0.374CS..Hα-helixtrans-60.5-30.6-172.883.30000114.9A16 G22 V23 L24 G25 K26 K27 I28A16-S20 WeakPolarHBondContact O-CB 3.29Å; A16-S20 PolarHBondContact O-N 2.97Å; A16-S20 PolarHBondContact O-OG 3.36Å; S20-G22 VanDerWaalsContact C-N 3.25Å; S20-G22 PolarHBondContact O-N 2.65Å; S20-V23 PolarHBondContact O-N 3.22Å; S20-L24 WeakPolarHBondContact O-CA 3.23Å; S20-L24 WeakPolarHBondContact O-CB 3.29Å; S20-L24 PolarHBondContact O-N 3.49Å; S20-G25 PolarHBondContact O-N 2.92Å; S20-K26 CarbonylContact C-O 3.57Å; S20-K26 VanDerWaalsContact CB-O 3.29Å; S20-K26 WeakPolarHBondContact CB-O 3.34Å; S20-K26 VanDerWaalsContact O-O 3.06Å; S20-K26 PolarHBondContact OG-O 2.76Å; S20-K27 VanDerWaalsContact OG-CA 3.25Å; S20-K27 WeakPolarHBondContact OG-CA 3.44Å; S20-I28 WeakPolarHBondContact OG-CG1 3.39Å; S20-I28 PolarHBondContact OG-N 2.99Å
21P77.1Confident76Confident65 Ų6564.1 Ų64.142%0.42239%0.386SS..Hα-helixtrans-59.7-36.5173.5-24.335.5000112.9F19 G25 K27F19-P21 VanDerWaalsContact C-N 3.31Å; P21-G25 VanDerWaalsContact O-CA 3.27Å; P21-G25 WeakPolarHBondContact O-CA 3.24Å; P21-G25 PolarHBondContact O-N 3.25Å; P21-K27 HydrophobicContact CG-CB 4.15Å; P21-K27 HydrophobicContact CG-CG 4.25Å
22G75.4Confident76.6Confident76 Ų7662.6 Ų62.678%0.78438%0.376SS*.Hα-helixtrans-79.5-36.917800000113.4F19 S20F19-G22 PolarHBondContact O-N 3.49Å; S20-G22 VanDerWaalsContact C-N 3.25Å; S20-G22 PolarHBondContact O-N 2.65Å
23V72.2Confident77.6Confident80 Ų8061.6 Ų61.649%0.48537%0.369SS..Hα-helixtrans-90.5-46.3-173.3179.60000112.8F19 S20 F135F19-V23 HydrophobicContact CB-CG2 4.46Å; F19-V23 PolarHBondContact O-N 3.39Å; S20-V23 PolarHBondContact O-N 3.22Å; V23-F135 HydrophobicContact CG1-CD1 4.04Å; V23-F135 HydrophobicContact CG1-CE1 3.83Å; V23-F135 HydrophobicContact CG1-CZ 4.25Å
24L74.2Confident78.7Confident27 Ų2758.2 Ų58.214%0.14133%0.334CS..THydrogen-bonded Turntrans-95.1-11.8-178.4-62.5-176.2000112.8S20 K26 I28 V130 T133 F135S20-L24 WeakPolarHBondContact O-CA 3.23Å; S20-L24 WeakPolarHBondContact O-CB 3.29Å; S20-L24 PolarHBondContact O-N 3.49Å; L24-K26 PolarHBondContact O-N 3.1Å; L24-I28 HydrophobicContact CD1-CD1 3.77Å; L24-I28 HydrophobicContact CD1-CG1 4.11Å; L24-V130 HydrophobicContact CD1-CG2 4.3Å; L24-T133 HydrophobicContact CB-CG2 4.22Å; L24-T133 WeakPolarHBondContact O-CG2 3.35Å; L24-F135 HydrophobicContact CD2-CB 4.31Å; L24-F135 HydrophobicContact CD2-CD1 3.61Å; L24-F135 HydrophobicContact CD2-CE1 4.45Å; L24-F135 HydrophobicContact CD2-CG 4.41Å
25G76Confident79.9Confident69 Ų6956.8 Ų56.871%0.71132%0.319SS*.SBendtrans68.16.5-168.900000113.4S20 P21S20-G25 PolarHBondContact O-N 2.92Å; P21-G25 VanDerWaalsContact O-CA 3.27Å; P21-G25 WeakPolarHBondContact O-CA 3.24Å; P21-G25 PolarHBondContact O-N 3.25Å
26K82.4Confident81.3Confident74 Ų7451.9 Ų51.932%0.32229%0.293SS..SBendtrans-140.2137.2-177.4-175.4177175.4-175.30109.4S20 L24 I28 E129 T133S20-K26 CarbonylContact C-O 3.57Å; S20-K26 VanDerWaalsContact CB-O 3.29Å; S20-K26 WeakPolarHBondContact CB-O 3.34Å; S20-K26 VanDerWaalsContact O-O 3.06Å; S20-K26 PolarHBondContact OG-O 2.76Å; L24-K26 PolarHBondContact O-N 3.1Å; K26-I28 PolarHBondContact O-N 3.17Å; K26-E129 IonicContact NZ-OE1 2.71Å; K26-E129 PolarHBondContact NZ-OE1 3.07Å; K26-E129 IonicContact NZ-OE2 3.7Å; K26-E129 PolarHBondContact NZ-OE2 3.12Å; K26-T133 HydrophobicContact CB-CG2 4.35Å
27K84.9Confident82.7Confident128 Ų12851.7 Ų51.756%0.55729%0.291SS*.  trans-74.7124.7172.8-167.8179.4177.2-170.10110S20 P21 D29S20-K27 VanDerWaalsContact OG-CA 3.25Å; S20-K27 WeakPolarHBondContact OG-CA 3.44Å; P21-K27 HydrophobicContact CG-CB 4.15Å; P21-K27 HydrophobicContact CG-CG 4.25Å; K27-D29 WeakPolarHBondContact CE-OD1 3.49Å; K27-D29 IonicContact NZ-OD1 3.71Å
28I85.2Confident83.7Confident12 Ų1249.8 Ų49.86%0.06228%0.277CS..  trans-120.7132.716753.6161.3000107.5A16 S17 S20 L24 K26 G30 L126 V130A16-I28 CarbonylContact C-O 3.16Å; A16-I28 HydrophobicContact CB-CD1 4.12Å; A16-I28 HydrophobicContact CB-CG1 4.25Å; S17-I28 WeakPolarHBondContact CA-O 3.39Å; S17-I28 PolarHBondContact N-O 2.98Å; S20-I28 WeakPolarHBondContact OG-CG1 3.39Å; S20-I28 PolarHBondContact OG-N 2.99Å; L24-I28 HydrophobicContact CD1-CD1 3.77Å; L24-I28 HydrophobicContact CD1-CG1 4.11Å; K26-I28 PolarHBondContact O-N 3.17Å; I28-G30 VanDerWaalsContact C-N 3.3Å; I28-G30 PolarHBondContact O-N 2.8Å; I28-L126 HydrophobicContact CB-CD1 4.03Å; I28-L126 HydrophobicContact CD1-CD1 4.23Å; I28-L126 HydrophobicContact CG2-CD1 3.85Å; I28-V130 HydrophobicContact CD1-CG2 4.41Å
29D84.2Confident84.6Confident101 Ų10144.7 Ų44.754%0.5426%0.257SS..  trans-78.2-15.2-171.6-68.1-38.6000113.6K27 W32K27-D29 WeakPolarHBondContact CE-OD1 3.49Å; K27-D29 IonicContact NZ-OD1 3.71Å; D29-W32 HydrophobicContact CB-CH2 4.34Å; D29-W32 HydrophobicContact CB-CZ2 3.96Å
30G79.9Confident85.5Confident0 Ų044.7 Ų44.70%026%0.263CS..  trans-176.6169.2-17800000112.3D10 I28 L126D10-G30 WeakPolarHBondContact OD1-CA 3.35Å; I28-G30 VanDerWaalsContact C-N 3.3Å; I28-G30 PolarHBondContact O-N 2.8Å; G30-L126 WeakPolarHBondContact O-CD2 3.36Å
31I83Confident86.3Confident79 Ų7946.7 Ų46.741%0.40527%0.271SS..  trans-102.6100.9165.5-59.6177000107.4D10 L11 A16 H33D10-I31 WeakPolarHBondContact CA-O 3.45Å; D10-I31 PolarHBondContact OD1-N 3.23Å; L11-I31 HydrophobicContact CB-CB 4.09Å; L11-I31 HydrophobicContact CB-CG2 4.04Å; L11-I31 HydrophobicContact CD1-CG2 4Å; L11-I31 HydrophobicContact CG-CG2 4.38Å; L11-I31 PolarHBondContact N-O 2.96Å; A16-I31 HydrophobicContact CB-CG1 4.18Å; I31-H33 PolarHBondContact O-N 2.89Å
32W90.2Very high87.1Confident28 Ų2843.6 Ų43.611%0.10625%0.251CS..EExtended strand (participates in β ladder)trans-77.6126.7-168.8-51.3121.7000113.1I8 Y9 D10 D29 L64 N104 Y122 I123 L126I8-W32 HydrophobicContact CG2-CE3 3.94Å; I8-W32 HydrophobicContact CG2-CZ3 4.42Å; Y9-W32 WeakPolarHBondContact O-CA 3.43Å; D10-W32 HydrophobicContact CB-CE3 4.43Å; D10-W32 HydrophobicContact CB-CZ3 4.07Å; D29-W32 HydrophobicContact CB-CH2 4.34Å; D29-W32 HydrophobicContact CB-CZ2 3.96Å; W32-L64 HydrophobicContact CH2-CD2 4.46Å; W32-L64 HydrophobicContact CZ3-CD2 3.89Å; W32-N104 PolarHBondContact O-ND2 3.32Å; W32-Y122 HydrophobicContact CD2-CE2 4.05Å; W32-Y122 AromaticContact CE2-CD2 3.73Å; W32-Y122 AromaticContact CE2-CE2 3.56Å; W32-Y122 HydrophobicContact CG-CE2 4.5Å; W32-Y122 HydrophobicContact CH2-CE2 4.34Å; W32-Y122 HydrophobicContact CZ2-CD2 4.01Å; W32-Y122 AromaticContact CZ2-CE2 3.71Å; W32-Y122 HydrophobicContact CZ2-CE2 3.71Å; W32-Y122 AromaticContact NE1-CD2 3.46Å; W32-Y122 AromaticContact NE1-CE2 3.75Å; W32-I123 HydrophobicContact CB-CB 4.41Å; W32-I123 HydrophobicContact CB-CG1 4.26Å; W32-I123 HydrophobicContact CB-CG2 3.86Å; W32-I123 HydrophobicContact CG-CB 4.48Å; W32-I123 HydrophobicContact CG-CG1 4.06Å; W32-I123 HydrophobicContact CG-CG2 4.45Å; W32-L126 HydrophobicContact CB-CD2 4.3Å; W32-L126 VanDerWaalsContact CD1-CD2 3.44Å; W32-L126 HydrophobicContact CG-CD2 4.04Å
33H89.9Confident88Confident1 Ų140.1 Ų40.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-117.8140.2163.3178.677.5000109.3Y9 L11 I31 L60 C103 N151Y9-H33 AromaticContact CD2-CD2 3.91Å; Y9-H33 PolarHBondContact N-O 2.62Å; Y9-H33 PolarHBondContact O-N 3.12Å; L11-H33 HydrophobicContact CD1-CB 4.07Å; L11-H33 HydrophobicContact CD2-CB 3.8Å; L11-H33 HydrophobicContact CG-CB 3.82Å; I31-H33 PolarHBondContact O-N 2.89Å; H33-L60 HydrophobicContact CB-CD1 4.14Å; H33-L60 WeakPolarHBondContact CD2-CD1 3.18Å; H33-C103 WeakPolarHBondContact CE1-CB 3.26Å; H33-C103 WeakPolarHBondContact ND1-CB 3.31Å; H33-C103 PolarHBondContact ND1-SG 3.06Å; H33-N151 PolarHBondContact CE1-ND2 3.07Å; H33-N151 PolarHBondContact NE2-ND2 3.17Å
34T94.6Very high88.9Confident0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-133.6153-177.656.20000113.8L6 Y7 I8 N104 S107 I123L6-T34 HydrophobicContact CD1-CG2 3.98Å; L6-T34 HydrophobicContact CG-CG2 4.47Å; Y7-T34 VanDerWaalsContact O-CA 3.24Å; Y7-T34 WeakPolarHBondContact O-CA 3Å; I8-T34 HydrophobicContact CG1-CG2 4.21Å; T34-N104 WeakPolarHBondContact CG2-OD1 3.34Å; T34-N104 PolarHBondContact N-OD1 3Å; T34-N104 WeakPolarHBondContact OG1-CA 3.4Å; T34-N104 PolarHBondContact OG1-OD1 3.32Å; T34-S107 PolarHBondContact O-OG 3.38Å; T34-S107 WeakPolarHBondContact OG1-CB 3.32Å; T34-S107 PolarHBondContact OG1-OG 3.5Å; T34-S107 VanDerWaalsContact OG1-OG 3.06Å; T34-I123 HydrophobicContact CG2-CD1 3.89Å; T34-I123 HydrophobicContact CG2-CG2 3.86Å
35A95.1Very high89.7Confident0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-141149.7173.400000110.9Y7 E42 F43 F44Y7-A35 PolarHBondContact N-O 3.19Å; Y7-A35 PolarHBondContact O-N 3.2Å; A35-E42 HydrophobicContact CB-CG 3.44Å; A35-E42 VanDerWaalsContact CB-CG 3.44Å; A35-E42 WeakPolarHBondContact CB-OE1 3.27Å; A35-F43 CarbonylContact C-O 3.57Å; A35-F43 WeakPolarHBondContact CA-O 3.3Å; A35-F43 WeakPolarHBondContact CB-O 3.42Å; A35-F44 HydrophobicContact CB-CB 3.98Å
36A97.2Very high90Very high0 Ų032 Ų320%015%0.151CC..EExtended strand (participates in β ladder)trans-95.5133175.100000110.4F5 E42 F43 F110 I111F5-A36 CarbonylContact O-C 3.39Å; F5-A36 WeakPolarHBondContact O-CA 3.39Å; A36-E42 WeakPolarHBondContact O-CA 3.28Å; A36-F43 PolarHBondContact N-O 3.43Å; A36-F43 PolarHBondContact O-N 3.45Å; A36-F110 HydrophobicContact CB-CD1 3.58Å; A36-F110 HydrophobicContact CB-CE1 3.93Å; A36-I111 HydrophobicContact CB-CD1 4.08Å; A36-I111 HydrophobicContact CB-CG1 3.9Å
37V97Very high89.6Confident7 Ų731.3 Ų31.34%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-123.7123.9-175.1-179.30000111.8F5 Y7 K41 E42 P55F5-V37 HydrophobicContact CB-CB 4.22Å; F5-V37 PolarHBondContact N-O 3.23Å; F5-V37 PolarHBondContact O-N 2.98Å; Y7-V37 HydrophobicContact CD1-CB 4.13Å; Y7-V37 HydrophobicContact CD1-CG2 3.58Å; Y7-V37 HydrophobicContact CD2-CG2 3.6Å; Y7-V37 HydrophobicContact CE1-CB 3.94Å; Y7-V37 HydrophobicContact CE1-CG1 4.2Å; Y7-V37 HydrophobicContact CE1-CG2 3.72Å; Y7-V37 HydrophobicContact CE2-CG2 3.77Å; Y7-V37 HydrophobicContact CG-CG2 3.53Å; V37-K41 VanDerWaalsContact CA-O 3.29Å; V37-K41 WeakPolarHBondContact CA-O 3.33Å; V37-E42 HydrophobicContact CG2-CB 3.82Å; V37-E42 HydrophobicContact CG2-CG 3.79Å; V37-P55 HydrophobicContact CG1-CB 4.09Å; V37-P55 HydrophobicContact CG1-CG 3.68Å
38L97Very high89.1Confident3 Ų326.9 Ų26.92%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-162.8154.5176.165.4171.7000109.6V4 D40 K41 F43 T72 I79 F110 L114V4-L38 HydrophobicContact CG2-CB 4.49Å; V4-L38 HydrophobicContact CG2-CD1 4.24Å; L38-D40 PolarHBondContact O-N 3.33Å; L38-K41 PolarHBondContact N-O 3.03Å; L38-K41 VanDerWaalsContact N-O 3.07Å; L38-K41 PolarHBondContact O-N 2.78Å; L38-K41 VanDerWaalsContact O-O 3.09Å; L38-F43 HydrophobicContact CD2-CD2 3.6Å; L38-F43 HydrophobicContact CD2-CE2 3.54Å; L38-F43 HydrophobicContact CG-CE2 4.26Å; L38-T72 HydrophobicContact CD1-CG2 4.11Å; L38-I79 HydrophobicContact CD1-CD1 3.45Å; L38-I79 VanDerWaalsContact CD1-CD1 3.45Å; L38-I79 HydrophobicContact CD1-CG1 4.48Å; L38-I79 HydrophobicContact CG-CD1 4.48Å; L38-F110 HydrophobicContact CD2-CE1 4.07Å; L38-F110 HydrophobicContact CD2-CZ 4.24Å; L38-L114 HydrophobicContact CD1-CD1 3.74Å; L38-L114 HydrophobicContact CD1-CD2 4.24Å; L38-L114 HydrophobicContact CD2-CD1 4.22Å
39Y93.4Very high89.1Confident72 Ų7226.4 Ų26.428%0.28213%0.132SC..THydrogen-bonded Turntrans52.538-178.2-62.8-73000114.4S2 K41 L74 E76 I79S2-Y39 WeakPolarHBondContact OG-CE1 3.34Å; S2-Y39 PolarHBondContact OG-OH 3.07Å; Y39-K41 PolarHBondContact O-N 3.27Å; Y39-K41 PolarHBondContact O-NZ 3.43Å; Y39-L74 PolarHBondContact OH-O 2.67Å; Y39-E76 HydrophobicContact CD1-CB 4.39Å; Y39-E76 HydrophobicContact CD2-CB 4.18Å; Y39-E76 HydrophobicContact CE1-CB 4.47Å; Y39-E76 HydrophobicContact CE2-CB 4.28Å; Y39-E76 HydrophobicContact CG-CB 4.23Å; Y39-I79 HydrophobicContact CD2-CD1 3.96Å; Y39-I79 HydrophobicContact CE2-CD1 3.5Å
40D91.5Very high89.3Confident112 Ų11221.7 Ų21.760%0.59911%0.107SC*.THydrogen-bonded Turntrans53.136.1-176-160.633000112.9L38 P55L38-D40 PolarHBondContact O-N 3.33Å; D40-P55 VanDerWaalsContact C-CD 3.4Å; D40-P55 WeakPolarHBondContact O-CD 3.23Å; D40-P55 WeakPolarHBondContact OD1-CD 3.3Å
41K92.7Very high89.5Confident47 Ų4722 Ų2220%0.20411%0.108CC..EExtended strand (participates in β ladder)trans-134.2135.2176.4-68.4176.5-17467.50110V37 L38 Y39 F43 Y52 C53 E76 F80V37-K41 VanDerWaalsContact CA-O 3.29Å; V37-K41 WeakPolarHBondContact CA-O 3.33Å; L38-K41 PolarHBondContact N-O 3.03Å; L38-K41 VanDerWaalsContact N-O 3.07Å; L38-K41 PolarHBondContact O-N 2.78Å; L38-K41 VanDerWaalsContact O-O 3.09Å; Y39-K41 PolarHBondContact O-N 3.27Å; Y39-K41 PolarHBondContact O-NZ 3.43Å; K41-F43 HydrophobicContact CB-CD2 4.29Å; K41-F43 HydrophobicContact CB-CE1 4.47Å; K41-F43 HydrophobicContact CB-CE2 3.5Å; K41-F43 HydrophobicContact CB-CZ 3.62Å; K41-F43 HydrophobicContact CD-CZ 3.99Å; K41-F43 HydrophobicContact CG-CZ 4.44Å; K41-Y52 HydrophobicContact CB-CD2 4.31Å; K41-Y52 HydrophobicContact CD-CD2 3.91Å; K41-Y52 HydrophobicContact CD-CE2 3.97Å; K41-Y52 HydrophobicContact CG-CD2 4.07Å; K41-Y52 HydrophobicContact CG-CE2 4.42Å; K41-C53 WeakPolarHBondContact CA-O 3.3Å; K41-E76 WeakPolarHBondContact CE-OE1 3.29Å; K41-E76 IonicContact NZ-OE1 3.9Å; K41-E76 PolarHBondContact NZ-OE1 2.88Å; K41-F80 HydrophobicContact CD-CE2 4.1Å; K41-F80 HydrophobicContact CD-CZ 3.73Å
42E92.9Very high89.8Confident0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-105.7115.6175.3179170.3174.500109.3Y9 A35 A36 V37 F44 Y52 C53 P55 C56 T58Y9-E42 WeakPolarHBondContact CE2-OE1 3.43Å; Y9-E42 PolarHBondContact OH-OE1 3.48Å; Y9-E42 PolarHBondContact OH-OE2 2.95Å; A35-E42 HydrophobicContact CB-CG 3.44Å; A35-E42 VanDerWaalsContact CB-CG 3.44Å; A35-E42 WeakPolarHBondContact CB-OE1 3.27Å; A36-E42 WeakPolarHBondContact O-CA 3.28Å; V37-E42 HydrophobicContact CG2-CB 3.82Å; V37-E42 HydrophobicContact CG2-CG 3.79Å; E42-F44 HydrophobicContact CG-CD1 4.41Å; E42-Y52 CarbonylContact O-C 3.46Å; E42-Y52 WeakPolarHBondContact O-CA 3.49Å; E42-Y52 WeakPolarHBondContact O-CB 3.41Å; E42-C53 PolarHBondContact N-O 3.12Å; E42-C53 PolarHBondContact O-N 3.21Å; E42-P55 WeakPolarHBondContact OE2-CA 3.36Å; E42-C56 PolarHBondContact OE2-N 3.38Å; E42-T58 HydrophobicContact CG-CG2 4.43Å; E42-T58 WeakPolarHBondContact OE1-CG2 3.43Å
43F94.5Very high89.4Confident3 Ų320 Ų201%0.01310%0.098CC..EExtended strand (participates in β ladder)trans-105.2132.1-176.7-59.3-89000110.3A35 A36 L38 K41 Q51 Y52 F80 L83 F106 F110A35-F43 CarbonylContact C-O 3.57Å; A35-F43 WeakPolarHBondContact CA-O 3.3Å; A35-F43 WeakPolarHBondContact CB-O 3.42Å; A36-F43 PolarHBondContact N-O 3.43Å; A36-F43 PolarHBondContact O-N 3.45Å; L38-F43 HydrophobicContact CD2-CD2 3.6Å; L38-F43 HydrophobicContact CD2-CE2 3.54Å; L38-F43 HydrophobicContact CG-CE2 4.26Å; K41-F43 HydrophobicContact CB-CD2 4.29Å; K41-F43 HydrophobicContact CB-CE1 4.47Å; K41-F43 HydrophobicContact CB-CE2 3.5Å; K41-F43 HydrophobicContact CB-CZ 3.62Å; K41-F43 HydrophobicContact CD-CZ 3.99Å; K41-F43 HydrophobicContact CG-CZ 4.44Å; F43-Q51 WeakPolarHBondContact CA-O 3.19Å; F43-Y52 VanDerWaalsContact CD1-CB 3.46Å; F43-Y52 HydrophobicContact CD1-CG 4.24Å; F43-Y52 HydrophobicContact CE1-CD1 4.42Å; F43-Y52 AromaticContact CE1-CG 4Å; F43-Y52 HydrophobicContact CE1-CG 4Å; F43-F80 HydrophobicContact CE1-CE1 4.06Å; F43-F80 HydrophobicContact CE1-CZ 4.17Å; F43-F80 HydrophobicContact CZ-CZ 4.22Å; F43-L83 HydrophobicContact CD1-CD1 3.37Å; F43-L83 HydrophobicContact CE1-CD1 3.32Å; F43-L83 HydrophobicContact CG-CD1 4.19Å; F43-L83 HydrophobicContact CZ-CD1 4.1Å; F43-F106 HydrophobicContact CB-CE1 4.18Å; F43-F106 HydrophobicContact CB-CZ 4.31Å; F43-F110 HydrophobicContact CB-CD1 4.43Å; F43-F110 HydrophobicContact CB-CE1 3.98Å; F43-F110 AromaticContact CD2-CE1 3.98Å; F43-F110 HydrophobicContact CD2-CE1 3.98Å; F43-F110 HydrophobicContact CG-CE1 4.01Å
44F92.2Very high89.2Confident4 Ų426 Ų262%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-148.4163.8-179.754-88.1000111.1A35 E42 Q51 T58 N151A35-F44 HydrophobicContact CB-CB 3.98Å; E42-F44 HydrophobicContact CG-CD1 4.41Å; F44-Q51 HydrophobicContact CD2-CB 3.99Å; F44-Q51 HydrophobicContact CE1-CB 4.35Å; F44-Q51 HydrophobicContact CE2-CB 3.39Å; F44-Q51 HydrophobicContact CE2-CG 4.23Å; F44-Q51 VanDerWaalsContact CE2-OE1 3.27Å; F44-Q51 HydrophobicContact CZ-CB 3.61Å; F44-Q51 PolarHBondContact N-O 3.07Å; F44-Q51 PolarHBondContact O-N 2.96Å; F44-T58 HydrophobicContact CD1-CG2 4.21Å; F44-T58 HydrophobicContact CE1-CG2 3.93Å; F44-N151 HydrophobicContact CD2-CB 4.03Å; F44-N151 HydrophobicContact CE2-CB 3.7Å
45F89.1Confident88.9Confident0 Ų027 Ų270%013%0.133CC..EExtended strand (participates in β ladder)trans-115.5134.7178.6177.8-120000110.5G49 I50 F91 D95 Y96 H101 F106F45-G49 VanDerWaalsContact CD2-C 3.48Å; F45-I50 HydrophobicContact CD2-CG1 4.28Å; F45-F91 HydrophobicContact CB-CD1 4.46Å; F45-F91 AromaticContact CD1-CD1 3.72Å; F45-F91 HydrophobicContact CD1-CD1 3.72Å; F45-F91 HydrophobicContact CD1-CE1 4.34Å; F45-F91 HydrophobicContact CD2-CB 3.79Å; F45-F91 HydrophobicContact CD2-CD1 4.05Å; F45-F91 HydrophobicContact CD2-CG 4.39Å; F45-F91 AromaticContact CE1-CD1 3.86Å; F45-F91 HydrophobicContact CE1-CD1 3.86Å; F45-F91 VanDerWaalsContact CE2-C 3.48Å; F45-F91 HydrophobicContact CE2-CB 3.71Å; F45-F91 HydrophobicContact CE2-CD1 4.19Å; F45-F91 HydrophobicContact CE2-CG 4.48Å; F45-F91 WeakPolarHBondContact CE2-O 3.33Å; F45-F91 HydrophobicContact CG-CB 4.41Å; F45-F91 AromaticContact CG-CD1 3.83Å; F45-F91 HydrophobicContact CG-CD1 3.83Å; F45-F91 HydrophobicContact CZ-CB 4.27Å; F45-F91 HydrophobicContact CZ-CD1 4.11Å; F45-D95 HydrophobicContact CZ-CB 4.47Å; F45-Y96 AromaticContact CD1-CD2 3.65Å; F45-Y96 HydrophobicContact CD1-CD2 3.65Å; F45-Y96 HydrophobicContact CD1-CE2 4.26Å; F45-Y96 AromaticContact CE1-CD2 3.66Å; F45-Y96 HydrophobicContact CE1-CD2 3.66Å; F45-Y96 HydrophobicContact CE1-CG 4.26Å; F45-Y96 HydrophobicContact CG-CD2 4.37Å; F45-Y96 HydrophobicContact CZ-CD2 4.37Å; F45-Y96 WeakPolarHBondContact O-CE2 3.44Å; F45-H101 AromaticContact CE1-CD2 3.76Å; F45-F106 HydrophobicContact CB-CB 3.41Å; F45-F106 VanDerWaalsContact CB-CB 3.41Å; F45-F106 HydrophobicContact CB-CD1 3.94Å; F45-F106 HydrophobicContact CB-CD2 4.13Å; F45-F106 HydrophobicContact CB-CG 3.54Å; F45-F106 HydrophobicContact CD1-CB 4.35Å; F45-F106 HydrophobicContact CG-CB 4.15Å
46G83.1Confident88.2Confident0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-142.5-171.9177.600000111.5S48 G49 Y96G46-S48 PolarHBondContact O-N 3.08Å; G46-S48 VanDerWaalsContact O-N 3.14Å; G46-G49 PolarHBondContact N-O 3.47Å; G46-G49 VanDerWaalsContact N-O 3.11Å; G46-G49 PolarHBondContact O-N 3.26Å; G46-Y96 VanDerWaalsContact CA-CD2 3.47Å
47Q74.6Confident87Confident60 Ų6030.3 Ų30.328%0.2816%0.156SC..THydrogen-bonded Turntrans-55.7-34.9-177.9-168.96432.600113.2G49 G94Q47-G49 VanDerWaalsContact C-N 3.28Å; Q47-G49 PolarHBondContact O-N 3.29Å; Q47-G94 PolarHBondContact O-N 2.72Å
48S74.8Confident85.7Confident36 Ų3630.2 Ų30.225%0.25216%0.155SC..THydrogen-bonded Turntrans-86.315.2178.444.50000114.3G46 Q51 H155G46-S48 PolarHBondContact O-N 3.08Å; G46-S48 VanDerWaalsContact O-N 3.14Å; S48-Q51 PolarHBondContact OG-NE2 3.32Å; S48-H155 PolarHBondContact O-CD2 3.26Å; S48-H155 VanDerWaalsContact O-CD2 3.26Å; S48-H155 PolarHBondContact O-NE2 3.17Å
49G83.8Confident84Confident1 Ų131.8 Ų31.81%0.0117%0.166CC..EExtended strand (participates in β ladder)trans94.7-162.6179.300000113.7F45 G46 Q47F45-G49 VanDerWaalsContact CD2-C 3.48Å; G46-G49 PolarHBondContact N-O 3.47Å; G46-G49 VanDerWaalsContact N-O 3.11Å; G46-G49 PolarHBondContact O-N 3.26Å; Q47-G49 VanDerWaalsContact C-N 3.28Å; Q47-G49 PolarHBondContact O-N 3.29Å
50I88.7Confident82.8Confident2 Ų230.9 Ų30.91%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-70.1132.4174.6-61.1173.6000109.6F45 L83 L86 F91 F106F45-I50 HydrophobicContact CD2-CG1 4.28Å; I50-L83 HydrophobicContact CD1-CD2 4.25Å; I50-L83 HydrophobicContact CG2-CD2 4.19Å; I50-L86 HydrophobicContact CD1-CB 3.58Å; I50-F91 HydrophobicContact CD1-CB 3.82Å; I50-F91 HydrophobicContact CG1-CB 3.73Å; I50-F106 HydrophobicContact CD1-CD2 4.29Å; I50-F106 HydrophobicContact CD1-CE2 3.64Å; I50-F106 HydrophobicContact CD1-CZ 4.43Å; I50-F106 HydrophobicContact CG1-CD2 4.22Å; I50-F106 HydrophobicContact CG1-CE2 3.8Å; I50-F106 HydrophobicContact CG1-CZ 4.39Å; I50-F106 HydrophobicContact CG2-CE2 4.28Å; I50-F106 HydrophobicContact CG2-CZ 4.07Å
51Q85.1Confident81.8Confident6 Ų626.1 Ų26.13%0.02814%0.143CC..EExtended strand (participates in β ladder)trans-131.3160179.6-67.8-169.1-27.500110.3F43 F44 S48 N151 K153 T154F43-Q51 WeakPolarHBondContact CA-O 3.19Å; F44-Q51 HydrophobicContact CD2-CB 3.99Å; F44-Q51 HydrophobicContact CE1-CB 4.35Å; F44-Q51 HydrophobicContact CE2-CB 3.39Å; F44-Q51 HydrophobicContact CE2-CG 4.23Å; F44-Q51 VanDerWaalsContact CE2-OE1 3.27Å; F44-Q51 HydrophobicContact CZ-CB 3.61Å; F44-Q51 PolarHBondContact N-O 3.07Å; F44-Q51 PolarHBondContact O-N 2.96Å; S48-Q51 PolarHBondContact OG-NE2 3.32Å; Q51-N151 PolarHBondContact OE1-O 3.16Å; Q51-K153 VanDerWaalsContact CB-O 3.32Å; Q51-K153 WeakPolarHBondContact CB-O 3.45Å; Q51-K153 WeakPolarHBondContact CG-O 3.48Å; Q51-K153 PolarHBondContact NE2-O 3.18Å; Q51-K153 VanDerWaalsContact OE1-N 3.14Å; Q51-K153 PolarHBondContact OE1-O 3.46Å; Q51-T154 WeakPolarHBondContact CG-O 3.07Å
52Y89.6Confident81.3Confident52 Ų5228.9 Ų28.920%0.20416%0.16CC..EExtended strand (participates in β ladder)trans-145.6155.6169.577.2-82.1000112.2K41 E42 F43 F80 T154 L156 I159K41-Y52 HydrophobicContact CB-CD2 4.31Å; K41-Y52 HydrophobicContact CD-CD2 3.91Å; K41-Y52 HydrophobicContact CD-CE2 3.97Å; K41-Y52 HydrophobicContact CG-CD2 4.07Å; K41-Y52 HydrophobicContact CG-CE2 4.42Å; E42-Y52 CarbonylContact O-C 3.46Å; E42-Y52 WeakPolarHBondContact O-CA 3.49Å; E42-Y52 WeakPolarHBondContact O-CB 3.41Å; F43-Y52 VanDerWaalsContact CD1-CB 3.46Å; F43-Y52 HydrophobicContact CD1-CG 4.24Å; F43-Y52 HydrophobicContact CE1-CD1 4.42Å; F43-Y52 AromaticContact CE1-CG 4Å; F43-Y52 HydrophobicContact CE1-CG 4Å; Y52-F80 HydrophobicContact CD1-CE1 4.22Å; Y52-F80 AromaticContact CE1-CE1 3.95Å; Y52-F80 HydrophobicContact CE1-CE1 3.95Å; Y52-F80 HydrophobicContact CE1-CZ 4.42Å; Y52-F80 HydrophobicContact CE2-CZ 4.45Å; Y52-T154 PolarHBondContact O-OG1 3.2Å; Y52-L156 HydrophobicContact CD1-CD1 4.48Å; Y52-I159 HydrophobicContact CE1-CD1 3.89Å; Y52-I159 HydrophobicContact CE1-CG1 3.95Å
53C81.5Confident81.1Confident15 Ų1529.6 Ų29.610%0.10117%0.165CC..EExtended strand (participates in β ladder)trans-147.9-178.1174.3640000110.6K41 E42 S57K41-C53 WeakPolarHBondContact CA-O 3.3Å; E42-C53 PolarHBondContact N-O 3.12Å; E42-C53 PolarHBondContact O-N 3.21Å; C53-S57 VanDerWaalsContact CB-OG 3.31Å; C53-S57 WeakPolarHBondContact CB-OG 3.45Å; C53-S57 PolarHBondContact SG-OG 3.49Å
54Q84.8Confident80.7Confident127 Ų12735.3 Ų35.359%0.59320%0.195SC*.SBendtrans-64.7146.2168-169.7-179.6-6.300109.7C56 S57Q54-C56 PolarHBondContact O-N 2.83Å; Q54-S57 PolarHBondContact N-OG 2.93Å; Q54-S57 VanDerWaalsContact O-CB 3.26Å; Q54-S57 WeakPolarHBondContact O-CB 3.42Å; Q54-S57 PolarHBondContact O-N 3.3Å; Q54-S57 VanDerWaalsContact O-N 3.11Å; Q54-S57 PolarHBondContact O-OG 3.14Å
55P87.7Confident80.7Confident21 Ų2139.9 Ų39.914%0.13622%0.215CC..THydrogen-bonded Turntrans-54.6139177.1-28.535.8000112.9Y7 V37 D40 E42 S57Y7-P55 HydrophobicContact CE2-CB 3.93Å; V37-P55 HydrophobicContact CG1-CB 4.09Å; V37-P55 HydrophobicContact CG1-CG 3.68Å; D40-P55 VanDerWaalsContact C-CD 3.4Å; D40-P55 WeakPolarHBondContact O-CD 3.23Å; D40-P55 WeakPolarHBondContact OD1-CD 3.3Å; E42-P55 WeakPolarHBondContact OE2-CA 3.36Å; P55-S57 PolarHBondContact O-N 3.05Å
56C81.2Confident81.1Confident30 Ų3045 Ų4520%0.20324%0.237CC..THydrogen-bonded Turntrans63.216-177.4-41.30000114.4Y7 E42 Q54 K66Y7-C56 VanDerWaalsContact CE2-SG 3.58Å; E42-C56 PolarHBondContact OE2-N 3.38Å; Q54-C56 PolarHBondContact O-N 2.83Å; C56-K66 PolarHBondContact SG-NZ 2.83Å
57S72.9Confident81.8Confident39 Ų3947.3 Ų47.327%0.27325%0.248SC..  trans-1035.4178.376.40000114.2C53 Q54 P55C53-S57 VanDerWaalsContact CB-OG 3.31Å; C53-S57 WeakPolarHBondContact CB-OG 3.45Å; C53-S57 PolarHBondContact SG-OG 3.49Å; Q54-S57 PolarHBondContact N-OG 2.93Å; Q54-S57 VanDerWaalsContact O-CB 3.26Å; Q54-S57 WeakPolarHBondContact O-CB 3.42Å; Q54-S57 PolarHBondContact O-N 3.3Å; Q54-S57 VanDerWaalsContact O-N 3.11Å; Q54-S57 PolarHBondContact O-OG 3.14Å; P55-S57 PolarHBondContact O-N 3.05Å
58T69.5Low82.9Confident5 Ų549.3 Ų49.33%0.03126%0.256CS..SBendtrans-64.6162.6169.666.40000110.5E42 F44 L60 G61E42-T58 HydrophobicContact CG-CG2 4.43Å; E42-T58 WeakPolarHBondContact OE1-CG2 3.43Å; F44-T58 HydrophobicContact CD1-CG2 4.21Å; F44-T58 HydrophobicContact CE1-CG2 3.93Å; T58-L60 PolarHBondContact O-N 2.86Å; T58-G61 PolarHBondContact O-N 3.42Å
59S60.9Low83.9Confident35 Ų3548.1 Ų48.125%0.24525%0.246CC..THydrogen-bonded Turntrans-61.1-15175.946.40000113.6T514S59-T514 WeakPolarHBondContact O-CB 3.29Å; S59-T514 PolarHBondContact O-OG1 3.46Å
60L67Low84.6Confident54 Ų5448.9 Ų48.928%0.28325%0.254SS..THydrogen-bonded Turntrans-84.9-7.3-178-54.8176.3000113.3Y9 L11 H33 T58Y9-L60 HydrophobicContact CD1-CB 3.5Å; Y9-L60 VanDerWaalsContact CD1-CB 3.5Å; Y9-L60 HydrophobicContact CD1-CD1 4.1Å; Y9-L60 HydrophobicContact CD1-CG 4.46Å; Y9-L60 HydrophobicContact CD2-CD1 4.17Å; Y9-L60 HydrophobicContact CE1-CB 3.81Å; Y9-L60 HydrophobicContact CG-CB 4.1Å; Y9-L60 HydrophobicContact CG-CD1 3.82Å; L11-L60 HydrophobicContact CD2-CD1 3.71Å; L11-L60 HydrophobicContact CD2-CD2 3.38Å; L11-L60 HydrophobicContact CD2-CG 4.2Å; H33-L60 HydrophobicContact CB-CD1 4.14Å; H33-L60 WeakPolarHBondContact CD2-CD1 3.18Å; T58-L60 PolarHBondContact O-N 2.86Å
61G72.3Confident85Confident12 Ų1254.1 Ų54.112%0.12428%0.277CS..  trans74.6-132.7178.800000112.9Y9 T58Y9-G61 WeakPolarHBondContact CE1-O 3.27Å; T58-G61 PolarHBondContact O-N 3.42Å
62N82.1Confident85.5Confident105 Ų10554 Ų5456%0.56128%0.277SS*.SBendtrans-81.2138.1178.6-79-49.2000110.9
63P87.3Confident85.8Confident15 Ų1555.3 Ų55.310%0.09730%0.298CS..  trans-64.1142.1172.729.4-37.2000110.7Y7 I8 Y9 K65 K66Y7-P63 HydrophobicContact CD1-CG 4.39Å; Y7-P63 HydrophobicContact CD2-CB 4.17Å; Y7-P63 HydrophobicContact CD2-CG 3.58Å; Y7-P63 HydrophobicContact CE2-CG 3.97Å; Y7-P63 HydrophobicContact CG-CB 4.09Å; Y7-P63 HydrophobicContact CG-CG 3.8Å; I8-P63 CarbonylContact O-C 3.57Å; I8-P63 WeakPolarHBondContact O-CA 3.12Å; I8-P63 WeakPolarHBondContact O-CB 3.43Å; Y9-P63 HydrophobicContact CD1-CB 4.17Å; Y9-P63 HydrophobicContact CD2-CB 4.45Å; Y9-P63 VanDerWaalsContact CE1-CA 3.4Å; Y9-P63 HydrophobicContact CE1-CB 3.82Å; Y9-P63 VanDerWaalsContact CE1-N 3.31Å; Y9-P63 HydrophobicContact CE2-CB 4.14Å; Y9-P63 HydrophobicContact CG-CB 4.47Å; P63-K65 PolarHBondContact O-N 3.49Å; P63-K66 HydrophobicContact CB-CG 4.47Å; P63-K66 HydrophobicContact CG-CD 4.13Å; P63-K66 VanDerWaalsContact CG-CE 3.43Å; P63-K66 HydrophobicContact CG-CG 3.51Å
64L86.1Confident86.5Confident122 Ų12256.8 Ų56.864%0.63931%0.305SS*.SBendtrans-56.2-37.8169.8179.968000110.9I8 D10 W32I8-L64 WeakPolarHBondContact O-CB 3.08Å; I8-L64 PolarHBondContact O-N 2.9Å; D10-L64 HydrophobicContact CB-CD2 4.3Å; W32-L64 HydrophobicContact CH2-CD2 4.46Å; W32-L64 HydrophobicContact CZ3-CD2 3.89Å
65K93.5Very high86.9Confident100 Ų10052.8 Ų52.844%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-143.9132.3178.4-168.8-178.8-177.5-162.50111.6I8 P63I8-K65 HydrophobicContact CB-CB 4.29Å; I8-K65 HydrophobicContact CD1-CB 4.24Å; I8-K65 HydrophobicContact CD1-CD 4.18Å; I8-K65 PolarHBondContact N-O 3.11Å; I8-K65 PolarHBondContact O-N 2.85Å; I8-K65 VanDerWaalsContact O-N 3.16Å; P63-K65 PolarHBondContact O-N 3.49Å
66K96.5Very high87.2Confident109 Ų10955.1 Ų55.147%0.47430%0.3SS..EExtended strand (participates in β ladder)trans-102.5110168.2-59-177.2179.1-174.10108.3Y7 C56 P63Y7-K66 HydrophobicContact CD1-CB 4.15Å; Y7-K66 HydrophobicContact CD1-CD 4.48Å; Y7-K66 HydrophobicContact CD1-CG 3.86Å; Y7-K66 HydrophobicContact CE1-CB 3.94Å; Y7-K66 HydrophobicContact CE1-CD 3.73Å; Y7-K66 HydrophobicContact CE1-CG 3.58Å; Y7-K66 HydrophobicContact CE2-CD 4.38Å; Y7-K66 HydrophobicContact CG-CG 4.46Å; Y7-K66 PolarHBondContact OH-NZ 3.49Å; C56-K66 PolarHBondContact SG-NZ 2.83Å; P63-K66 HydrophobicContact CB-CG 4.47Å; P63-K66 HydrophobicContact CG-CD 4.13Å; P63-K66 VanDerWaalsContact CG-CE 3.43Å; P63-K66 HydrophobicContact CG-CG 3.51Å
67Q97Very high87.7Confident47 Ų4757.2 Ų57.222%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-110125.7-175.7-177.1165.5-44.700110.7F5 L6 M69F5-Q67 CarbonylContact C-O 3.54Å; F5-Q67 VanDerWaalsContact CA-O 3.26Å; F5-Q67 WeakPolarHBondContact CA-O 3.25Å; L6-Q67 HydrophobicContact CB-CB 4.4Å; L6-Q67 PolarHBondContact N-O 2.83Å; L6-Q67 PolarHBondContact O-N 3.28Å; Q67-M69 HydrophobicContact CG-SD 4.01Å
68F97.8Very high88.7Confident103 Ų10359.9 Ų59.945%0.45232%0.323SS..EExtended strand (participates in β ladder)trans-71.2129.5173.8178.8-108.6000110.5D3 F5 G70 K71D3-F68 HydrophobicContact CB-CD2 4.46Å; D3-F68 HydrophobicContact CB-CE2 3.86Å; F5-F68 HydrophobicContact CD1-CB 4.09Å; F5-F68 HydrophobicContact CD1-CD2 4.22Å; F5-F68 HydrophobicContact CE1-CB 3.94Å; F5-F68 AromaticContact CE1-CD2 3.77Å; F5-F68 HydrophobicContact CE1-CD2 3.77Å; F5-F68 HydrophobicContact CE1-CG 4.34Å; F5-F68 AromaticContact CZ-CD2 3.96Å; F5-F68 HydrophobicContact CZ-CD2 3.96Å; F68-G70 WeakPolarHBondContact CE2-O 3.44Å; F68-G70 VanDerWaalsContact CZ-C 3.47Å; F68-G70 VanDerWaalsContact CZ-CA 3.47Å; F68-G70 WeakPolarHBondContact CZ-O 3.44Å; F68-K71 HydrophobicContact CE2-CG 4.44Å; F68-K71 HydrophobicContact CZ-CG 3.95Å
69M97.5Very high89.9Confident11 Ų1159.7 Ų59.75%0.05432%0.322CS..EExtended strand (participates in β ladder)trans-114.23.6-174.7-63.1-56.4-63.100113.6V4 L6 Q67 I111 T115 Q117 H118 I119V4-M69 HydrophobicContact CG1-CB 4.42Å; V4-M69 PolarHBondContact O-N 3.12Å; L6-M69 HydrophobicContact CB-CG 3.6Å; L6-M69 HydrophobicContact CB-SD 3.95Å; L6-M69 HydrophobicContact CD2-SD 4.37Å; Q67-M69 HydrophobicContact CG-SD 4.01Å; M69-I111 HydrophobicContact CB-CG2 3.71Å; M69-I111 HydrophobicContact CE-CG2 3.78Å; M69-I111 HydrophobicContact CG-CD1 4.24Å; M69-I111 HydrophobicContact CG-CG2 3.99Å; M69-T115 VanDerWaalsContact O-CB 3.26Å; M69-T115 WeakPolarHBondContact O-CB 3.38Å; M69-T115 WeakPolarHBondContact O-CG2 3.41Å; M69-T115 PolarHBondContact O-OG1 3.46Å; M69-Q117 HydrophobicContact CE-CB 4.06Å; M69-Q117 WeakPolarHBondContact O-CG 3.39Å; M69-H118 VanDerWaalsContact CE-O 3.26Å; M69-H118 WeakPolarHBondContact CE-O 3.42Å; M69-I119 HydrophobicContact CE-CG2 4.28Å
70G96.9Very high91.4Very high17 Ų1759.5 Ų59.518%0.17532%0.316CS..EExtended strand (participates in β ladder)trans115-162.1-178.900000112.8V4 F68V4-G70 PolarHBondContact N-O 3.03Å; F68-G70 WeakPolarHBondContact CE2-O 3.44Å; F68-G70 VanDerWaalsContact CZ-C 3.47Å; F68-G70 VanDerWaalsContact CZ-CA 3.47Å; F68-G70 WeakPolarHBondContact CZ-O 3.44Å
71K97.4Very high92.6Very high112 Ų11261.2 Ų61.249%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-126144.7-178.7-52.4-164.6-179.3-152.40110.4M1 S2 D3 F68M1-K71 HydrophobicContact CB-CB 4.31Å; S2-K71 CarbonylContact O-C 3.47Å; S2-K71 VanDerWaalsContact O-CA 3.26Å; S2-K71 WeakPolarHBondContact O-CA 3.1Å; D3-K71 VanDerWaalsContact OD1-CD 3.28Å; D3-K71 WeakPolarHBondContact OD1-CD 3.38Å; D3-K71 WeakPolarHBondContact OD1-CE 3.43Å; D3-K71 WeakPolarHBondContact OD1-CG 3.44Å; D3-K71 IonicContact OD1-NZ 3.67Å; D3-K71 PolarHBondContact OD1-NZ 3.37Å; F68-K71 HydrophobicContact CE2-CG 4.44Å; F68-K71 HydrophobicContact CZ-CG 3.95Å
72T96.9Very high93.6Very high4 Ų462.1 Ų62.13%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-108.7146.2173-169.70000111.4M1 S2 V4 L38 L74 I79 L114M1-T72 CarbonylContact C-O 3.58Å; M1-T72 WeakPolarHBondContact CA-O 3.44Å; M1-T72 WeakPolarHBondContact CB-O 3.49Å; S2-T72 PolarHBondContact N-O 3.42Å; S2-T72 PolarHBondContact O-N 3.27Å; V4-T72 HydrophobicContact CG2-CG2 3.9Å; L38-T72 HydrophobicContact CD1-CG2 4.11Å; T72-L74 PolarHBondContact OG1-N 2.85Å; T72-I79 HydrophobicContact CG2-CD1 4.46Å; T72-L114 WeakPolarHBondContact CB-O 3.39Å; T72-L114 HydrophobicContact CG2-CD2 4.34Å; T72-L114 PolarHBondContact OG1-O 3.17Å
73A94.8Very high94.2Very high79 Ų7957.1 Ų57.165%0.65330%0.299SS*.  trans-88.8-11.5170.800000112.7M1M1-A73 HydrophobicContact CE-CB 3.98Å; M1-A73 HydrophobicContact CG-CB 4.32Å
74L95.7Very high94.3Very high46 Ų4660.8 Ų60.824%0.24132%0.315CS..  trans-68.5135.4-178-61.2177.9000111Y39 T72 E78 I79 L114Y39-L74 PolarHBondContact OH-O 2.67Å; T72-L74 PolarHBondContact OG1-N 2.85Å; L74-E78 HydrophobicContact CB-CB 4.4Å; L74-E78 HydrophobicContact CD2-CB 4.44Å; L74-I79 HydrophobicContact CB-CD1 4.22Å; L74-I79 HydrophobicContact CB-CG1 4.02Å; L74-I79 HydrophobicContact CD1-CG1 4.46Å; L74-L114 HydrophobicContact CD1-CD2 4.05Å
75S94.2Very high94.5Very high42 Ų4262.3 Ų62.329%0.29431%0.312SS..  trans-67.5157.8168.5650000110.9S77 E78 I79S75-S77 VanDerWaalsContact C-N 3.27Å; S75-S77 PolarHBondContact O-N 3.26Å; S75-S77 PolarHBondContact OG-OG 3.36Å; S75-S77 VanDerWaalsContact OG-OG 3.07Å; S75-E78 WeakPolarHBondContact CB-OE2 3.45Å; S75-E78 PolarHBondContact N-OE2 3.49Å; S75-E78 PolarHBondContact O-N 2.9Å; S75-E78 VanDerWaalsContact O-N 3.14Å; S75-E78 VanDerWaalsContact OG-CD 3.27Å; S75-E78 VanDerWaalsContact OG-CG 3.24Å; S75-E78 WeakPolarHBondContact OG-CG 3.44Å; S75-E78 PolarHBondContact OG-N 3.19Å; S75-E78 PolarHBondContact OG-OE2 3.27Å; S75-I79 PolarHBondContact O-N 2.82Å; S75-I79 VanDerWaalsContact O-N 3.11Å
76E93.7Very high94.4Very high71 Ų7157.9 Ų57.933%0.33229%0.293SS..Hα-helixtrans-55.8-42176179.8171.3-147.500112.2Y39 K41 E78 I79 F80Y39-E76 HydrophobicContact CD1-CB 4.39Å; Y39-E76 HydrophobicContact CD2-CB 4.18Å; Y39-E76 HydrophobicContact CE1-CB 4.47Å; Y39-E76 HydrophobicContact CE2-CB 4.28Å; Y39-E76 HydrophobicContact CG-CB 4.23Å; K41-E76 WeakPolarHBondContact CE-OE1 3.29Å; K41-E76 IonicContact NZ-OE1 3.9Å; K41-E76 PolarHBondContact NZ-OE1 2.88Å; E76-E78 PolarHBondContact O-N 2.98Å; E76-I79 WeakPolarHBondContact O-CB 3.41Å; E76-I79 PolarHBondContact O-N 3.42Å; E76-F80 HydrophobicContact CG-CD2 3.74Å; E76-F80 HydrophobicContact CG-CE2 3.62Å; E76-F80 VanDerWaalsContact O-CD2 3.29Å; E76-F80 WeakPolarHBondContact O-CD2 3.43Å; E76-F80 PolarHBondContact O-N 3.22Å
77S91.1Very high94.1Very high74 Ų7453 Ų5352%0.51727%0.273SS..Hα-helixtrans-61.8-39.2176.544.10000113.4S75 I79 F80 N81S75-S77 VanDerWaalsContact C-N 3.27Å; S75-S77 PolarHBondContact O-N 3.26Å; S75-S77 PolarHBondContact OG-OG 3.36Å; S75-S77 VanDerWaalsContact OG-OG 3.07Å; S77-I79 VanDerWaalsContact C-N 3.32Å; S77-F80 PolarHBondContact O-N 3.01Å; S77-N81 WeakPolarHBondContact O-CB 3.14Å; S77-N81 VanDerWaalsContact O-CG 3.24Å; S77-N81 PolarHBondContact O-N 2.93Å; S77-N81 PolarHBondContact O-ND2 3.22Å
78E93.6Very high93.5Very high94 Ų9455.2 Ų55.244%0.43929%0.286SS..Hα-helixtrans-66.8-37.2177.1-73.4165.4128.800111.4L74 S75 E76 Y82L74-E78 HydrophobicContact CB-CB 4.4Å; L74-E78 HydrophobicContact CD2-CB 4.44Å; S75-E78 WeakPolarHBondContact CB-OE2 3.45Å; S75-E78 PolarHBondContact N-OE2 3.49Å; S75-E78 PolarHBondContact O-N 2.9Å; S75-E78 VanDerWaalsContact O-N 3.14Å; S75-E78 VanDerWaalsContact OG-CD 3.27Å; S75-E78 VanDerWaalsContact OG-CG 3.24Å; S75-E78 WeakPolarHBondContact OG-CG 3.44Å; S75-E78 PolarHBondContact OG-N 3.19Å; S75-E78 PolarHBondContact OG-OE2 3.27Å; E76-E78 PolarHBondContact O-N 2.98Å; E78-Y82 WeakPolarHBondContact O-CB 3.42Å; E78-Y82 PolarHBondContact O-N 3.31Å
79I95.2Very high93.2Very high2 Ų254 Ų541%0.0129%0.288CS..Hα-helixtrans-64.2-47.1174.9-72.8156.5000111L38 Y39 T72 L74 S75 E76 S77 N81 Y82 L83 F110 L114L38-I79 HydrophobicContact CD1-CD1 3.45Å; L38-I79 VanDerWaalsContact CD1-CD1 3.45Å; L38-I79 HydrophobicContact CD1-CG1 4.48Å; L38-I79 HydrophobicContact CG-CD1 4.48Å; Y39-I79 HydrophobicContact CD2-CD1 3.96Å; Y39-I79 HydrophobicContact CE2-CD1 3.5Å; T72-I79 HydrophobicContact CG2-CD1 4.46Å; L74-I79 HydrophobicContact CB-CD1 4.22Å; L74-I79 HydrophobicContact CB-CG1 4.02Å; L74-I79 HydrophobicContact CD1-CG1 4.46Å; S75-I79 PolarHBondContact O-N 2.82Å; S75-I79 VanDerWaalsContact O-N 3.11Å; E76-I79 WeakPolarHBondContact O-CB 3.41Å; E76-I79 PolarHBondContact O-N 3.42Å; S77-I79 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 3Å; I79-Y82 WeakPolarHBondContact O-CB 3.45Å; I79-Y82 PolarHBondContact O-N 3.3Å; I79-Y82 VanDerWaalsContact O-N 3.11Å; I79-L83 HydrophobicContact CG2-CD1 3.81Å; I79-L83 HydrophobicContact CG2-CG 4.28Å; I79-L83 WeakPolarHBondContact O-CG 3.48Å; I79-L83 PolarHBondContact O-N 3.15Å; I79-F110 HydrophobicContact CG2-CE2 4.04Å; I79-F110 HydrophobicContact CG2-CZ 3.63Å; I79-L114 HydrophobicContact CD1-CD2 4.18Å; I79-L114 HydrophobicContact CG1-CD2 3.93Å
80F93Very high92.7Very high30 Ų3057.7 Ų57.713%0.13231%0.307CS..Hα-helixtrans-62.2-43177.5-85-71000112.5K41 F43 Y52 E76 S77 Y82 L83 E84 L156 I159K41-F80 HydrophobicContact CD-CE2 4.1Å; K41-F80 HydrophobicContact CD-CZ 3.73Å; F43-F80 HydrophobicContact CE1-CE1 4.06Å; F43-F80 HydrophobicContact CE1-CZ 4.17Å; F43-F80 HydrophobicContact CZ-CZ 4.22Å; Y52-F80 HydrophobicContact CD1-CE1 4.22Å; Y52-F80 AromaticContact CE1-CE1 3.95Å; Y52-F80 HydrophobicContact CE1-CE1 3.95Å; Y52-F80 HydrophobicContact CE1-CZ 4.42Å; Y52-F80 HydrophobicContact CE2-CZ 4.45Å; E76-F80 HydrophobicContact CG-CD2 3.74Å; E76-F80 HydrophobicContact CG-CE2 3.62Å; E76-F80 VanDerWaalsContact O-CD2 3.29Å; E76-F80 WeakPolarHBondContact O-CD2 3.43Å; E76-F80 PolarHBondContact O-N 3.22Å; S77-F80 PolarHBondContact O-N 3.01Å; F80-Y82 PolarHBondContact O-N 3.02Å; F80-L83 PolarHBondContact O-N 3.21Å; F80-E84 WeakPolarHBondContact O-CB 3.22Å; F80-E84 PolarHBondContact O-N 2.93Å; F80-L156 HydrophobicContact CD1-CD1 4.13Å; F80-L156 HydrophobicContact CE1-CD1 4.31Å; F80-I159 HydrophobicContact CD1-CD1 3.35Å; F80-I159 HydrophobicContact CE1-CD1 3.32Å; F80-I159 HydrophobicContact CE1-CG1 4.37Å; F80-I159 HydrophobicContact CG-CD1 4.43Å; F80-I159 HydrophobicContact CZ-CD1 4.38Å
81N91.7Very high92.4Very high91 Ų9157.1 Ų57.149%0.48730%0.3SS..Hα-helixtrans-62.6-31.2174.1-70.5-23000112.5S77 I79 R85S77-N81 WeakPolarHBondContact O-CB 3.14Å; S77-N81 VanDerWaalsContact O-CG 3.24Å; S77-N81 PolarHBondContact O-N 2.93Å; S77-N81 PolarHBondContact O-ND2 3.22Å; I79-N81 PolarHBondContact O-N 3Å; N81-R85 WeakPolarHBondContact O-CG 3.3Å; N81-R85 PolarHBondContact O-N 3.05Å; N81-R85 PolarHBondContact O-NE 3.05Å
82Y94.4Very high91.8Very high31 Ų3156 Ų5612%0.12230%0.295CS..Hα-helixtrans-72.7-46.9174-179.2-111.8000111.9E78 I79 F80 E84 R85 L86 H109 F110 H113E78-Y82 WeakPolarHBondContact O-CB 3.42Å; E78-Y82 PolarHBondContact O-N 3.31Å; I79-Y82 WeakPolarHBondContact O-CB 3.45Å; I79-Y82 PolarHBondContact O-N 3.3Å; I79-Y82 VanDerWaalsContact O-N 3.11Å; F80-Y82 PolarHBondContact O-N 3.02Å; Y82-E84 VanDerWaalsContact C-N 3.27Å; Y82-E84 PolarHBondContact O-N 3.09Å; Y82-R85 WeakPolarHBondContact O-CB 3.2Å; Y82-R85 PolarHBondContact O-N 2.74Å; Y82-R85 VanDerWaalsContact O-N 3.16Å; Y82-L86 HydrophobicContact CD1-CD1 3.95Å; Y82-L86 HydrophobicContact CD1-CG 4.36Å; Y82-L86 HydrophobicContact CE1-CD1 3.45Å; Y82-L86 VanDerWaalsContact CE1-CD1 3.45Å; Y82-L86 HydrophobicContact CE1-CG 4.04Å; Y82-L86 HydrophobicContact CE2-CD2 4.45Å; Y82-L86 HydrophobicContact CE2-CG 4.45Å; Y82-L86 PolarHBondContact O-N 2.75Å; Y82-H109 PolarHBondContact OH-CE1 3.33Å; Y82-H109 PolarHBondContact OH-ND1 2.97Å; Y82-F110 HydrophobicContact CD1-CD2 4.16Å; Y82-F110 HydrophobicContact CD1-CE2 4.19Å; Y82-F110 HydrophobicContact CE1-CD2 4.05Å; Y82-H113 AromaticContact CD1-CD2 3.57Å; Y82-H113 AromaticContact CD1-NE2 3.93Å; Y82-H113 AromaticContact CD2-NE2 3.81Å; Y82-H113 HydrophobicContact CE1-CB 4Å; Y82-H113 AromaticContact CE1-CD2 3.27Å; Y82-H113 WeakPolarHBondContact CE1-CD2 3.42Å; Y82-H113 AromaticContact CE1-CG 3.61Å; Y82-H113 AromaticContact CE1-NE2 3.88Å; Y82-H113 AromaticContact CE2-CD2 3.98Å; Y82-H113 AromaticContact CE2-CE1 3.85Å; Y82-H113 AromaticContact CE2-NE2 3.77Å; Y82-H113 AromaticContact CG-NE2 3.86Å; Y82-H113 AromaticContact CZ-CD2 3.48Å; Y82-H113 VanDerWaalsContact CZ-CD2 3.48Å; Y82-H113 AromaticContact CZ-CE1 3.95Å; Y82-H113 AromaticContact CZ-CG 3.47Å; Y82-H113 VanDerWaalsContact CZ-CG 3.47Å; Y82-H113 AromaticContact CZ-ND1 3.78Å; Y82-H113 AromaticContact CZ-NE2 3.78Å
83L94Very high91Very high0 Ų058.8 Ų58.80%031%0.313CS..Hα-helixtrans-60.7-36.6176.5-68.7170.6000111.9F43 I50 I79 F80 L86 S87 F106 F110 L156F43-L83 HydrophobicContact CD1-CD1 3.37Å; F43-L83 HydrophobicContact CE1-CD1 3.32Å; F43-L83 HydrophobicContact CG-CD1 4.19Å; F43-L83 HydrophobicContact CZ-CD1 4.1Å; I50-L83 HydrophobicContact CD1-CD2 4.25Å; I50-L83 HydrophobicContact CG2-CD2 4.19Å; I79-L83 HydrophobicContact CG2-CD1 3.81Å; I79-L83 HydrophobicContact CG2-CG 4.28Å; I79-L83 WeakPolarHBondContact O-CG 3.48Å; I79-L83 PolarHBondContact O-N 3.15Å; F80-L83 PolarHBondContact O-N 3.21Å; L83-L86 PolarHBondContact O-N 2.9Å; L83-S87 PolarHBondContact O-N 3.43Å; L83-S87 PolarHBondContact O-OG 3.11Å; L83-F106 HydrophobicContact CD2-CE2 4.08Å; L83-F106 HydrophobicContact CD2-CZ 3.9Å; L83-F110 HydrophobicContact CD1-CZ 4.14Å; L83-F110 HydrophobicContact CD2-CD1 4.36Å; L83-F110 HydrophobicContact CD2-CD2 4.1Å; L83-F110 HydrophobicContact CD2-CE1 4.14Å; L83-F110 HydrophobicContact CD2-CE2 3.85Å; L83-F110 HydrophobicContact CD2-CG 4.36Å; L83-F110 HydrophobicContact CD2-CZ 3.87Å; L83-F110 HydrophobicContact CG-CE2 4.23Å; L83-F110 HydrophobicContact CG-CZ 4.19Å; L83-L156 HydrophobicContact CB-CD1 4.18Å; L83-L156 HydrophobicContact CB-CD2 4.15Å
84E89Confident90.1Very high91 Ų9157.1 Ų57.143%0.42530%0.304SS..Hα-helixtrans-64.8-40.5175.8-172.5179.1-156.300111.9F80 Y82 S87 N88 L156F80-E84 WeakPolarHBondContact O-CB 3.22Å; F80-E84 PolarHBondContact O-N 2.93Å; Y82-E84 VanDerWaalsContact C-N 3.27Å; Y82-E84 PolarHBondContact O-N 3.09Å; E84-S87 WeakPolarHBondContact CA-OG 3.45Å; E84-S87 PolarHBondContact O-N 3.14Å; E84-S87 PolarHBondContact O-OG 3.27Å; E84-N88 PolarHBondContact O-N 2.87Å; E84-N88 PolarHBondContact O-ND2 3.11Å; E84-L156 HydrophobicContact CB-CD2 3.74Å; E84-L156 HydrophobicContact CG-CD2 4.35Å; E84-L156 VanDerWaalsContact N-CD2 3.31Å
85R91.2Very high89.3Confident154 Ų15458.4 Ų58.458%0.58131%0.311SS*.Hα-helixtrans-63.9-43172.2-72.5-179.7-71167.9-1.2111.1N81 Y82 N88 T89N81-R85 WeakPolarHBondContact O-CG 3.3Å; N81-R85 PolarHBondContact O-N 3.05Å; N81-R85 PolarHBondContact O-NE 3.05Å; Y82-R85 WeakPolarHBondContact O-CB 3.2Å; Y82-R85 PolarHBondContact O-N 2.74Å; Y82-R85 VanDerWaalsContact O-N 3.16Å; R85-N88 PolarHBondContact O-N 3.37Å; R85-T89 WeakPolarHBondContact O-CB 3.38Å; R85-T89 WeakPolarHBondContact O-CG2 3.4Å; R85-T89 PolarHBondContact O-N 2.97Å; R85-T89 VanDerWaalsContact O-N 3.17Å; R85-T89 PolarHBondContact O-OG1 2.83Å
86L92Very high88.6Confident7 Ų757.6 Ų57.64%0.03730%0.301CS..Hα-helixtrans-63-41.9176.8-70.3-173.9000112.6I50 Y82 L83 N88 T89 L90 F91I50-L86 HydrophobicContact CD1-CB 3.58Å; Y82-L86 HydrophobicContact CD1-CD1 3.95Å; Y82-L86 HydrophobicContact CD1-CG 4.36Å; Y82-L86 HydrophobicContact CE1-CD1 3.45Å; Y82-L86 VanDerWaalsContact CE1-CD1 3.45Å; Y82-L86 HydrophobicContact CE1-CG 4.04Å; Y82-L86 HydrophobicContact CE2-CD2 4.45Å; Y82-L86 HydrophobicContact CE2-CG 4.45Å; Y82-L86 PolarHBondContact O-N 2.75Å; L83-L86 PolarHBondContact O-N 2.9Å; L86-N88 PolarHBondContact O-N 3.25Å; L86-T89 PolarHBondContact O-N 3.47Å; L86-T89 VanDerWaalsContact O-N 3.07Å; L86-L90 HydrophobicContact CD2-CB 4.47Å; L86-L90 HydrophobicContact CD2-CD1 4.15Å; L86-L90 PolarHBondContact O-N 2.82Å; L86-L90 VanDerWaalsContact O-N 3.12Å; L86-F91 HydrophobicContact CB-CD2 4.17Å; L86-F91 HydrophobicContact CD1-CD2 4.27Å; L86-F91 HydrophobicContact CD1-CE2 4.48Å; L86-F91 HydrophobicContact CD2-CD2 4.33Å; L86-F91 PolarHBondContact O-N 3.38Å
87S89Confident87.9Confident8 Ų855.4 Ų55.46%0.05629%0.294CS..Hα-helixtrans-65.2-20.2178.661.10000113.5L83 E84 K92L83-S87 PolarHBondContact O-N 3.43Å; L83-S87 PolarHBondContact O-OG 3.11Å; E84-S87 WeakPolarHBondContact CA-OG 3.45Å; E84-S87 PolarHBondContact O-N 3.14Å; E84-S87 PolarHBondContact O-OG 3.27Å; S87-K92 WeakPolarHBondContact O-CA 3.29Å
88N85.6Confident87.3Confident93 Ų9354.1 Ų54.150%0.49728%0.281SS..Hα-helixtrans-98.1-7.7176.3-70.7-53.6000113.4E84 R85 L86 K92E84-N88 PolarHBondContact O-N 2.87Å; E84-N88 PolarHBondContact O-ND2 3.11Å; R85-N88 PolarHBondContact O-N 3.37Å; L86-N88 PolarHBondContact O-N 3.25Å; N88-K92 WeakPolarHBondContact O-CE 3.25Å; N88-K92 PolarHBondContact O-NZ 3.31Å
89T89.6Confident86.7Confident78 Ų7850.7 Ų50.748%0.47927%0.265SS..THydrogen-bonded Turntrans-125.9-78.4-17255.40000113.3R85 L86 K92R85-T89 WeakPolarHBondContact O-CB 3.38Å; R85-T89 WeakPolarHBondContact O-CG2 3.4Å; R85-T89 PolarHBondContact O-N 2.97Å; R85-T89 VanDerWaalsContact O-N 3.17Å; R85-T89 PolarHBondContact O-OG1 2.83Å; L86-T89 PolarHBondContact O-N 3.47Å; L86-T89 VanDerWaalsContact O-N 3.07Å; T89-K92 WeakPolarHBondContact O-CE 3.5Å
90L88Confident86.2Confident88 Ų8859.2 Ų59.246%0.46130%0.302SS..THydrogen-bonded Turntrans-91.1-29-171.8-68.8173.3000113.5L86 H101L86-L90 HydrophobicContact CD2-CB 4.47Å; L86-L90 HydrophobicContact CD2-CD1 4.15Å; L86-L90 PolarHBondContact O-N 2.82Å; L86-L90 VanDerWaalsContact O-N 3.12Å; L90-H101 PolarHBondContact O-CE1 3.29Å; L90-H101 PolarHBondContact O-NE2 3.49Å
91F90.7Very high85.9Confident5 Ų560 Ų602%0.02231%0.306CS..SBendtrans-125.556.3-171.5-65.6-79.7000110.5F45 I50 L86 H101 F106 H109F45-F91 HydrophobicContact CB-CD1 4.46Å; F45-F91 AromaticContact CD1-CD1 3.72Å; F45-F91 HydrophobicContact CD1-CD1 3.72Å; F45-F91 HydrophobicContact CD1-CE1 4.34Å; F45-F91 HydrophobicContact CD2-CB 3.79Å; F45-F91 HydrophobicContact CD2-CD1 4.05Å; F45-F91 HydrophobicContact CD2-CG 4.39Å; F45-F91 AromaticContact CE1-CD1 3.86Å; F45-F91 HydrophobicContact CE1-CD1 3.86Å; F45-F91 VanDerWaalsContact CE2-C 3.48Å; F45-F91 HydrophobicContact CE2-CB 3.71Å; F45-F91 HydrophobicContact CE2-CD1 4.19Å; F45-F91 HydrophobicContact CE2-CG 4.48Å; F45-F91 WeakPolarHBondContact CE2-O 3.33Å; F45-F91 HydrophobicContact CG-CB 4.41Å; F45-F91 AromaticContact CG-CD1 3.83Å; F45-F91 HydrophobicContact CG-CD1 3.83Å; F45-F91 HydrophobicContact CZ-CB 4.27Å; F45-F91 HydrophobicContact CZ-CD1 4.11Å; I50-F91 HydrophobicContact CD1-CB 3.82Å; I50-F91 HydrophobicContact CG1-CB 3.73Å; L86-F91 HydrophobicContact CB-CD2 4.17Å; L86-F91 HydrophobicContact CD1-CD2 4.27Å; L86-F91 HydrophobicContact CD1-CE2 4.48Å; L86-F91 HydrophobicContact CD2-CD2 4.33Å; L86-F91 PolarHBondContact O-N 3.38Å; F91-H101 AromaticContact CD1-CE1 3.59Å; F91-H101 AromaticContact CD1-NE2 3.47Å; F91-H101 WeakPolarHBondContact CD1-NE2 3.4Å; F91-H101 AromaticContact CE1-CE1 3.21Å; F91-H101 WeakPolarHBondContact CE1-CE1 3.28Å; F91-H101 AromaticContact CE1-NE2 3.63Å; F91-H101 AromaticContact CZ-CE1 3.8Å; F91-F106 HydrophobicContact CD1-CB 3.85Å; F91-F106 AromaticContact CD1-CD2 3.93Å; F91-F106 HydrophobicContact CD1-CD2 3.93Å; F91-F106 HydrophobicContact CD1-CG 4.36Å; F91-F106 AromaticContact CD2-CD2 3.99Å; F91-F106 HydrophobicContact CD2-CD2 3.99Å; F91-F106 HydrophobicContact CE1-CB 3.51Å; F91-F106 HydrophobicContact CE1-CD2 4.07Å; F91-F106 HydrophobicContact CE1-CG 4.31Å; F91-F106 HydrophobicContact CE2-CD2 4.12Å; F91-F106 AromaticContact CG-CD2 3.89Å; F91-F106 HydrophobicContact CG-CD2 3.89Å; F91-F106 VanDerWaalsContact CZ-CA 3.5Å; F91-F106 HydrophobicContact CZ-CB 4.06Å; F91-F106 HydrophobicContact CZ-CD2 4.17Å; F91-H109 HydrophobicContact CE2-CB 4.01Å; F91-H109 AromaticContact CE2-CG 3.92Å; F91-H109 HydrophobicContact CZ-CB 3.89Å
92K85.2Confident85.8Confident88 Ų8856.2 Ų56.238%0.38329%0.286SS..  trans-78.9157.4-177.1-47.1-176.2-161.2-170.20111.7S87 N88 T89 G94 D95S87-K92 WeakPolarHBondContact O-CA 3.29Å; N88-K92 WeakPolarHBondContact O-CE 3.25Å; N88-K92 PolarHBondContact O-NZ 3.31Å; T89-K92 WeakPolarHBondContact O-CE 3.5Å; K92-G94 PolarHBondContact O-N 2.92Å; K92-D95 VanDerWaalsContact CB-OD2 3.29Å; K92-D95 WeakPolarHBondContact CB-OD2 3.06Å; K92-D95 WeakPolarHBondContact CG-OD2 3.08Å; K92-D95 PolarHBondContact O-N 3.17Å; K92-D95 VanDerWaalsContact O-N 3.16Å
93P79.1Confident85.7Confident62 Ų6254.9 Ų54.940%0.40328%0.281SS..THydrogen-bonded Turntrans-55.5129.6164.8-2132.7000110.4H155P93-H155 VanDerWaalsContact CG-NE2 3.28Å; P93-H155 WeakPolarHBondContact CG-NE2 3.42Å
94G76.1Confident85.7Confident45 Ų4555.2 Ų55.246%0.46428%0.282SS..THydrogen-bonded Turntrans94.6-18.5-177.100000115.6Q47 K92 Y96Q47-G94 PolarHBondContact O-N 2.72Å; K92-G94 PolarHBondContact O-N 2.92Å; G94-Y96 VanDerWaalsContact C-N 3.27Å; G94-Y96 PolarHBondContact O-N 3.44Å
95D79.2Confident85.9Confident72 Ų7252.2 Ų52.239%0.38527%0.272SS..  trans-82.1-3.8-177.9-72.2-15.3000113.3F45 K92 S97 H101F45-D95 HydrophobicContact CZ-CB 4.47Å; K92-D95 VanDerWaalsContact CB-OD2 3.29Å; K92-D95 WeakPolarHBondContact CB-OD2 3.06Å; K92-D95 WeakPolarHBondContact CG-OD2 3.08Å; K92-D95 PolarHBondContact O-N 3.17Å; K92-D95 VanDerWaalsContact O-N 3.16Å; D95-S97 PolarHBondContact O-N 3.23Å; D95-H101 PolarHBondContact O-CD2 3.16Å
96Y79.9Confident86.2Confident25 Ų2544.9 Ų44.910%0.09824%0.244CC..  trans-66.2126.7-179.8-170.3-81.8000111.1F45 G46 G94 H101 N102F45-Y96 AromaticContact CD1-CD2 3.65Å; F45-Y96 HydrophobicContact CD1-CD2 3.65Å; F45-Y96 HydrophobicContact CD1-CE2 4.26Å; F45-Y96 AromaticContact CE1-CD2 3.66Å; F45-Y96 HydrophobicContact CE1-CD2 3.66Å; F45-Y96 HydrophobicContact CE1-CG 4.26Å; F45-Y96 HydrophobicContact CG-CD2 4.37Å; F45-Y96 HydrophobicContact CZ-CD2 4.37Å; F45-Y96 WeakPolarHBondContact O-CE2 3.44Å; G46-Y96 VanDerWaalsContact CA-CD2 3.47Å; G94-Y96 VanDerWaalsContact C-N 3.27Å; G94-Y96 PolarHBondContact O-N 3.44Å; Y96-H101 CarbonylContact C-O 3.49Å; Y96-H101 WeakPolarHBondContact CA-O 3.24Å; Y96-N102 HydrophobicContact CE1-CB 4.36Å; Y96-N102 HydrophobicContact CE2-CB 3.86Å
97S79.2Confident86.4Confident25 Ų2544.6 Ų44.618%0.17524%0.242CC..BIsolated β-bridgetrans-131.8125.2172.1167.60000109.1D95 F99 K100 H101 N144D95-S97 PolarHBondContact O-N 3.23Å; S97-F99 PolarHBondContact O-N 3.21Å; S97-F99 VanDerWaalsContact O-N 3.09Å; S97-K100 PolarHBondContact O-N 2.96Å; S97-H101 PolarHBondContact N-O 2.89Å; S97-H101 CarbonylContact O-C 3.31Å; S97-H101 PolarHBondContact O-N 3.41Å; S97-N144 PolarHBondContact OG-OD1 3.29Å
98L78Confident86.9Confident48 Ų4845.8 Ų45.825%0.25125%0.247SC..THydrogen-bonded Turntrans-50.1-42.3-175-16762.5000113.3N102 L143 N144 S147L98-N102 PolarHBondContact O-ND2 2.99Å; L98-L143 HydrophobicContact CD2-CB 3.6Å; L98-L143 HydrophobicContact CD2-CD1 3.95Å; L98-L143 HydrophobicContact CD2-CG 4.29Å; L98-N144 PolarHBondContact N-OD1 3.08Å; L98-S147 WeakPolarHBondContact CB-OG 3.3Å
99F81.6Confident87.4Confident22 Ų2244.4 Ų44.410%0.09624%0.237CC..THydrogen-bonded Turntrans-97.6-24.5-172.1-66.4-78.3000114.8S97 P127 V130 L131 L143S97-F99 PolarHBondContact O-N 3.21Å; S97-F99 VanDerWaalsContact O-N 3.09Å; F99-P127 HydrophobicContact CB-CB 4.39Å; F99-P127 HydrophobicContact CD1-CB 4.11Å; F99-P127 VanDerWaalsContact O-CB 3.29Å; F99-P127 WeakPolarHBondContact O-CB 3.33Å; F99-V130 HydrophobicContact CE1-CB 4.45Å; F99-V130 HydrophobicContact CE1-CG1 4.09Å; F99-L131 HydrophobicContact CB-CD1 4.05Å; F99-L131 HydrophobicContact CD1-CD1 4.09Å; F99-L131 HydrophobicContact CD1-CD2 4.11Å; F99-L131 HydrophobicContact CD1-CG 3.84Å; F99-L131 HydrophobicContact CE1-CD2 4.21Å; F99-L131 HydrophobicContact CE1-CG 4.22Å; F99-L131 HydrophobicContact CG-CD1 4.18Å; F99-L131 HydrophobicContact CG-CD2 4.32Å; F99-L131 HydrophobicContact CG-CG 4.3Å; F99-L143 HydrophobicContact CE2-CB 3.95Å; F99-L143 HydrophobicContact CE2-CD1 4.43Å; F99-L143 HydrophobicContact CZ-CB 4.33Å; F99-L143 HydrophobicContact CZ-CD1 3.98Å
100K83.1Confident87.8Confident181 Ų18140.7 Ų40.779%0.78722%0.215SC*.THydrogen-bonded Turntrans-115.5-32.5-170.3-66.6-175.3179.71790113.9S97S97-K100 PolarHBondContact O-N 2.96Å
101H88Confident88.3Confident47 Ų4736.5 Ų36.522%0.21819%0.193CC..BIsolated β-bridgetrans-149.987.9-171.1-163.257.9000110.9F45 L90 F91 D95 Y96 S97 S105F45-H101 AromaticContact CE1-CD2 3.76Å; L90-H101 PolarHBondContact O-CE1 3.29Å; L90-H101 PolarHBondContact O-NE2 3.49Å; F91-H101 AromaticContact CD1-CE1 3.59Å; F91-H101 AromaticContact CD1-NE2 3.47Å; F91-H101 WeakPolarHBondContact CD1-NE2 3.4Å; F91-H101 AromaticContact CE1-CE1 3.21Å; F91-H101 WeakPolarHBondContact CE1-CE1 3.28Å; F91-H101 AromaticContact CE1-NE2 3.63Å; F91-H101 AromaticContact CZ-CE1 3.8Å; D95-H101 PolarHBondContact O-CD2 3.16Å; Y96-H101 CarbonylContact C-O 3.49Å; Y96-H101 WeakPolarHBondContact CA-O 3.24Å; S97-H101 PolarHBondContact N-O 2.89Å; S97-H101 CarbonylContact O-C 3.31Å; S97-H101 PolarHBondContact O-N 3.41Å; H101-S105 PolarHBondContact ND1-OG 2.96Å
102N88.6Confident88.6Confident11 Ų1140.8 Ų40.86%0.05921%0.212CC..SBendtrans-134.6-169.9-166.261.629.5000111.2Y96 L98 N104 S105 F106Y96-N102 HydrophobicContact CE1-CB 4.36Å; Y96-N102 HydrophobicContact CE2-CB 3.86Å; L98-N102 PolarHBondContact O-ND2 2.99Å; N102-N104 PolarHBondContact O-N 3.44Å; N102-N104 WeakPolarHBondContact OD1-CA 3.31Å; N102-N104 VanDerWaalsContact OD1-CB 3.3Å; N102-N104 WeakPolarHBondContact OD1-CB 3.34Å; N102-N104 PolarHBondContact OD1-N 3.31Å; N102-S105 PolarHBondContact N-OG 3.4Å; N102-S105 PolarHBondContact O-N 2.93Å; N102-S105 PolarHBondContact O-OG 3.41Å; N102-S105 PolarHBondContact OD1-N 2.86Å; N102-F106 PolarHBondContact O-N 3.02Å; N102-F106 VanDerWaalsContact O-N 3.1Å
103C92Very high89.2Confident3 Ų340.7 Ų40.72%0.0221%0.212CC..Hα-helixtrans-52.8-35.3175.154.40000114.2H33 F106 S107H33-C103 WeakPolarHBondContact CE1-CB 3.26Å; H33-C103 WeakPolarHBondContact ND1-CB 3.31Å; H33-C103 PolarHBondContact ND1-SG 3.06Å; C103-F106 PolarHBondContact O-N 2.9Å; C103-S107 PolarHBondContact O-N 2.95Å; C103-S107 PolarHBondContact O-OG 3.39Å; C103-S107 VanDerWaalsContact O-OG 3.12Å
104N94.7Very high90Very high6 Ų638.2 Ų38.23%0.03220%0.196CC..Hα-helixtrans-74.4-41.6-178.3-57.9-29.6000111.7W32 T34 N102 F106 S107 E108 I119 I123W32-N104 PolarHBondContact O-ND2 3.32Å; T34-N104 WeakPolarHBondContact CG2-OD1 3.34Å; T34-N104 PolarHBondContact N-OD1 3Å; T34-N104 WeakPolarHBondContact OG1-CA 3.4Å; T34-N104 PolarHBondContact OG1-OD1 3.32Å; N102-N104 PolarHBondContact O-N 3.44Å; N102-N104 WeakPolarHBondContact OD1-CA 3.31Å; N102-N104 VanDerWaalsContact OD1-CB 3.3Å; N102-N104 WeakPolarHBondContact OD1-CB 3.34Å; N102-N104 PolarHBondContact OD1-N 3.31Å; N104-F106 VanDerWaalsContact C-N 3.28Å; N104-F106 PolarHBondContact O-N 3.28Å; N104-S107 PolarHBondContact O-N 3.32Å; N104-E108 WeakPolarHBondContact O-CB 3.01Å; N104-E108 PolarHBondContact O-N 3.47Å; N104-I119 WeakPolarHBondContact O-CD1 3.38Å; N104-I123 HydrophobicContact CB-CG2 3.89Å; N104-I123 VanDerWaalsContact CG-CG2 3.47Å
105S94.1Very high91Very high29 Ų2937.5 Ų37.520%0.20318%0.182CC..Hα-helixtrans-65.8-32.5173.864.10000112.2H101 N102 H109H101-S105 PolarHBondContact ND1-OG 2.96Å; N102-S105 PolarHBondContact N-OG 3.4Å; N102-S105 PolarHBondContact O-N 2.93Å; N102-S105 PolarHBondContact O-OG 3.41Å; N102-S105 PolarHBondContact OD1-N 2.86Å; S105-H109 WeakPolarHBondContact O-CB 3.2Å; S105-H109 PolarHBondContact O-N 3.49Å; S105-H109 VanDerWaalsContact O-N 3.09Å
106F96.4Very high91.8Very high0 Ų036.2 Ų36.20%019%0.186CC..Hα-helixtrans-65.2-52.8171.2170.7-103000112.6F43 F45 I50 L83 F91 N102 C103 N104 E108 H109 F110F43-F106 HydrophobicContact CB-CE1 4.18Å; F43-F106 HydrophobicContact CB-CZ 4.31Å; F45-F106 HydrophobicContact CB-CB 3.41Å; F45-F106 VanDerWaalsContact CB-CB 3.41Å; F45-F106 HydrophobicContact CB-CD1 3.94Å; F45-F106 HydrophobicContact CB-CD2 4.13Å; F45-F106 HydrophobicContact CB-CG 3.54Å; F45-F106 HydrophobicContact CD1-CB 4.35Å; F45-F106 HydrophobicContact CG-CB 4.15Å; I50-F106 HydrophobicContact CD1-CD2 4.29Å; I50-F106 HydrophobicContact CD1-CE2 3.64Å; I50-F106 HydrophobicContact CD1-CZ 4.43Å; I50-F106 HydrophobicContact CG1-CD2 4.22Å; I50-F106 HydrophobicContact CG1-CE2 3.8Å; I50-F106 HydrophobicContact CG1-CZ 4.39Å; I50-F106 HydrophobicContact CG2-CE2 4.28Å; I50-F106 HydrophobicContact CG2-CZ 4.07Å; L83-F106 HydrophobicContact CD2-CE2 4.08Å; L83-F106 HydrophobicContact CD2-CZ 3.9Å; F91-F106 HydrophobicContact CD1-CB 3.85Å; F91-F106 AromaticContact CD1-CD2 3.93Å; F91-F106 HydrophobicContact CD1-CD2 3.93Å; F91-F106 HydrophobicContact CD1-CG 4.36Å; F91-F106 AromaticContact CD2-CD2 3.99Å; F91-F106 HydrophobicContact CD2-CD2 3.99Å; F91-F106 HydrophobicContact CE1-CB 3.51Å; F91-F106 HydrophobicContact CE1-CD2 4.07Å; F91-F106 HydrophobicContact CE1-CG 4.31Å; F91-F106 HydrophobicContact CE2-CD2 4.12Å; F91-F106 AromaticContact CG-CD2 3.89Å; F91-F106 HydrophobicContact CG-CD2 3.89Å; F91-F106 VanDerWaalsContact CZ-CA 3.5Å; F91-F106 HydrophobicContact CZ-CB 4.06Å; F91-F106 HydrophobicContact CZ-CD2 4.17Å; N102-F106 PolarHBondContact O-N 3.02Å; N102-F106 VanDerWaalsContact O-N 3.1Å; C103-F106 PolarHBondContact O-N 2.9Å; N104-F106 VanDerWaalsContact C-N 3.28Å; N104-F106 PolarHBondContact O-N 3.28Å; F106-E108 PolarHBondContact O-N 3.42Å; F106-H109 PolarHBondContact O-N 2.86Å; F106-F110 HydrophobicContact CE1-CD1 4.19Å; F106-F110 HydrophobicContact CE2-CB 4.21Å; F106-F110 HydrophobicContact CZ-CB 4.14Å; F106-F110 AromaticContact CZ-CD1 3.86Å; F106-F110 HydrophobicContact CZ-CD1 3.86Å; F106-F110 HydrophobicContact CZ-CG 4.16Å; F106-F110 WeakPolarHBondContact O-CB 3.48Å; F106-F110 PolarHBondContact O-N 2.81Å
107S97.4Very high92.6Very high0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-58.3-40179.8-66.60000111.4T34 C103 N104 I111T34-S107 PolarHBondContact O-OG 3.38Å; T34-S107 WeakPolarHBondContact OG1-CB 3.32Å; T34-S107 PolarHBondContact OG1-OG 3.5Å; T34-S107 VanDerWaalsContact OG1-OG 3.06Å; C103-S107 PolarHBondContact O-N 2.95Å; C103-S107 PolarHBondContact O-OG 3.39Å; C103-S107 VanDerWaalsContact O-OG 3.12Å; N104-S107 PolarHBondContact O-N 3.32Å; S107-I111 WeakPolarHBondContact O-CB 3.28Å; S107-I111 WeakPolarHBondContact O-CD1 3.46Å; S107-I111 VanDerWaalsContact O-CG1 3.31Å; S107-I111 WeakPolarHBondContact O-CG1 3.38Å; S107-I111 PolarHBondContact O-N 2.91Å
108E97.8Very high93.5Very high33 Ų3344.8 Ų44.815%0.15422%0.224CC..Hα-helixtrans-57.7-55.9172.6171.154-157.600112.4N104 F106 F110 F112 H118 I119 L124N104-E108 WeakPolarHBondContact O-CB 3.01Å; N104-E108 PolarHBondContact O-N 3.47Å; F106-E108 PolarHBondContact O-N 3.42Å; E108-F110 VanDerWaalsContact C-N 3.34Å; E108-F110 PolarHBondContact O-N 2.96Å; E108-F112 WeakPolarHBondContact O-CB 3.44Å; E108-F112 PolarHBondContact O-N 3.49Å; E108-H118 IonicContact OE1-CE1 3.89Å; E108-H118 IonicContact OE1-CG 3.14Å; E108-H118 IonicContact OE1-ND1 3.43Å; E108-H118 PolarHBondContact OE1-ND1 3.36Å; E108-H118 IonicContact OE2-ND1 3.32Å; E108-I119 HydrophobicContact CB-CD1 4.06Å; E108-I119 HydrophobicContact CB-CG1 4.09Å; E108-I119 WeakPolarHBondContact OE2-CG1 3.4Å; E108-I119 PolarHBondContact OE2-N 3.07Å; E108-L124 HydrophobicContact CB-CD2 3.95Å; E108-L124 HydrophobicContact CG-CD1 4.12Å; E108-L124 HydrophobicContact CG-CD2 4.23Å
109H97.1Very high94.4Very high64 Ų6442.7 Ų42.730%0.29621%0.213SC..Hα-helixtrans-60.6-43.8-178.9-173.8-82.6000112.2Y82 F91 S105 F106 H113Y82-H109 PolarHBondContact OH-CE1 3.33Å; Y82-H109 PolarHBondContact OH-ND1 2.97Å; F91-H109 HydrophobicContact CE2-CB 4.01Å; F91-H109 AromaticContact CE2-CG 3.92Å; F91-H109 HydrophobicContact CZ-CB 3.89Å; S105-H109 WeakPolarHBondContact O-CB 3.2Å; S105-H109 PolarHBondContact O-N 3.49Å; S105-H109 VanDerWaalsContact O-N 3.09Å; F106-H109 PolarHBondContact O-N 2.86Å; H109-H113 WeakPolarHBondContact O-CB 3.39Å; H109-H113 PolarHBondContact O-N 2.78Å; H109-H113 VanDerWaalsContact O-N 3.13Å
110F97.7Very high95.1Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-73.8-45.4-175.4-174.9-142000112A36 L38 F43 I79 Y82 L83 F106 E108 H113 L114A36-F110 HydrophobicContact CB-CD1 3.58Å; A36-F110 HydrophobicContact CB-CE1 3.93Å; L38-F110 HydrophobicContact CD2-CE1 4.07Å; L38-F110 HydrophobicContact CD2-CZ 4.24Å; F43-F110 HydrophobicContact CB-CD1 4.43Å; F43-F110 HydrophobicContact CB-CE1 3.98Å; F43-F110 AromaticContact CD2-CE1 3.98Å; F43-F110 HydrophobicContact CD2-CE1 3.98Å; F43-F110 HydrophobicContact CG-CE1 4.01Å; I79-F110 HydrophobicContact CG2-CE2 4.04Å; I79-F110 HydrophobicContact CG2-CZ 3.63Å; Y82-F110 HydrophobicContact CD1-CD2 4.16Å; Y82-F110 HydrophobicContact CD1-CE2 4.19Å; Y82-F110 HydrophobicContact CE1-CD2 4.05Å; L83-F110 HydrophobicContact CD1-CZ 4.14Å; L83-F110 HydrophobicContact CD2-CD1 4.36Å; L83-F110 HydrophobicContact CD2-CD2 4.1Å; L83-F110 HydrophobicContact CD2-CE1 4.14Å; L83-F110 HydrophobicContact CD2-CE2 3.85Å; L83-F110 HydrophobicContact CD2-CG 4.36Å; L83-F110 HydrophobicContact CD2-CZ 3.87Å; L83-F110 HydrophobicContact CG-CE2 4.23Å; L83-F110 HydrophobicContact CG-CZ 4.19Å; F106-F110 HydrophobicContact CE1-CD1 4.19Å; F106-F110 HydrophobicContact CE2-CB 4.21Å; F106-F110 HydrophobicContact CZ-CB 4.14Å; F106-F110 AromaticContact CZ-CD1 3.86Å; F106-F110 HydrophobicContact CZ-CD1 3.86Å; F106-F110 HydrophobicContact CZ-CG 4.16Å; F106-F110 WeakPolarHBondContact O-CB 3.48Å; F106-F110 PolarHBondContact O-N 2.81Å; E108-F110 VanDerWaalsContact C-N 3.34Å; E108-F110 PolarHBondContact O-N 2.96Å; F110-H113 WeakPolarHBondContact O-CB 3Å; F110-H113 PolarHBondContact O-N 3.44Å; F110-L114 HydrophobicContact CD1-CD1 4.27Å; F110-L114 HydrophobicContact CD2-CD1 4.09Å; F110-L114 HydrophobicContact CD2-CG 4.09Å; F110-L114 HydrophobicContact CE1-CD1 3.97Å; F110-L114 HydrophobicContact CE2-CD1 3.78Å; F110-L114 HydrophobicContact CE2-CD2 3.95Å; F110-L114 HydrophobicContact CE2-CG 3.89Å; F110-L114 HydrophobicContact CG-CD1 4.32Å; F110-L114 HydrophobicContact CZ-CD1 3.71Å; F110-L114 HydrophobicContact CZ-CD2 4.38Å; F110-L114 HydrophobicContact CZ-CG 4.31Å; F110-L114 VanDerWaalsContact O-CG 3.25Å; F110-L114 WeakPolarHBondContact O-CG 3.32Å; F110-L114 PolarHBondContact O-N 3.28Å
111I98.1Very high95.7Very high0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-66.4-40.6178-70.4164.6000110.9V4 L6 A36 M69 S107 H113 L114 T115 I119V4-I111 HydrophobicContact CG1-CG1 4.32Å; L6-I111 HydrophobicContact CB-CD1 3.92Å; L6-I111 HydrophobicContact CD1-CD1 3.54Å; L6-I111 HydrophobicContact CG-CD1 4.29Å; A36-I111 HydrophobicContact CB-CD1 4.08Å; A36-I111 HydrophobicContact CB-CG1 3.9Å; M69-I111 HydrophobicContact CB-CG2 3.71Å; M69-I111 HydrophobicContact CE-CG2 3.78Å; M69-I111 HydrophobicContact CG-CD1 4.24Å; M69-I111 HydrophobicContact CG-CG2 3.99Å; S107-I111 WeakPolarHBondContact O-CB 3.28Å; S107-I111 WeakPolarHBondContact O-CD1 3.46Å; S107-I111 VanDerWaalsContact O-CG1 3.31Å; S107-I111 WeakPolarHBondContact O-CG1 3.38Å; S107-I111 PolarHBondContact O-N 2.91Å; I111-H113 VanDerWaalsContact C-N 3.29Å; I111-H113 PolarHBondContact O-N 3.42Å; I111-L114 PolarHBondContact O-N 2.93Å; I111-T115 PolarHBondContact O-N 3.22Å; I111-T115 PolarHBondContact O-OG1 2.84Å; I111-I119 HydrophobicContact CB-CG2 4.38Å; I111-I119 HydrophobicContact CD1-CG2 3.79Å
112F97.6Very high95.9Very high96 Ų9640 Ų4042%0.42121%0.211SC..Hα-helixtrans-59.6-41.4175.2-174.9-98.5000111.7E108 L114 G116 Q117 H118E108-F112 WeakPolarHBondContact O-CB 3.44Å; E108-F112 PolarHBondContact O-N 3.49Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 3.4Å; F112-G116 VanDerWaalsContact O-CA 3.22Å; F112-G116 WeakPolarHBondContact O-CA 3.09Å; F112-G116 PolarHBondContact O-N 3.1Å; F112-Q117 WeakPolarHBondContact CA-O 3.39Å; F112-Q117 PolarHBondContact N-O 2.91Å; F112-H118 AromaticContact CD2-CE1 3.5Å; F112-H118 AromaticContact CD2-ND1 3.84Å; F112-H118 AromaticContact CD2-NE2 3.77Å; F112-H118 AromaticContact CE2-CE1 3.5Å; F112-H118 AromaticContact CE2-NE2 3.43Å; F112-H118 WeakPolarHBondContact CE2-NE2 3.2Å
113H96.8Very high96.2Very high85 Ų8539.4 Ų39.439%0.39421%0.208SC..Hα-helixtrans-62.1-38.9173.9-178.467.4000113Y82 H109 F110 I111Y82-H113 AromaticContact CD1-CD2 3.57Å; Y82-H113 AromaticContact CD1-NE2 3.93Å; Y82-H113 AromaticContact CD2-NE2 3.81Å; Y82-H113 HydrophobicContact CE1-CB 4Å; Y82-H113 AromaticContact CE1-CD2 3.27Å; Y82-H113 WeakPolarHBondContact CE1-CD2 3.42Å; Y82-H113 AromaticContact CE1-CG 3.61Å; Y82-H113 AromaticContact CE1-NE2 3.88Å; Y82-H113 AromaticContact CE2-CD2 3.98Å; Y82-H113 AromaticContact CE2-CE1 3.85Å; Y82-H113 AromaticContact CE2-NE2 3.77Å; Y82-H113 AromaticContact CG-NE2 3.86Å; Y82-H113 AromaticContact CZ-CD2 3.48Å; Y82-H113 VanDerWaalsContact CZ-CD2 3.48Å; Y82-H113 AromaticContact CZ-CE1 3.95Å; Y82-H113 AromaticContact CZ-CG 3.47Å; Y82-H113 VanDerWaalsContact CZ-CG 3.47Å; Y82-H113 AromaticContact CZ-ND1 3.78Å; Y82-H113 AromaticContact CZ-NE2 3.78Å; H109-H113 WeakPolarHBondContact O-CB 3.39Å; H109-H113 PolarHBondContact O-N 2.78Å; H109-H113 VanDerWaalsContact O-N 3.13Å; F110-H113 WeakPolarHBondContact O-CB 3Å; F110-H113 PolarHBondContact O-N 3.44Å; I111-H113 VanDerWaalsContact C-N 3.29Å; I111-H113 PolarHBondContact O-N 3.42Å
114L97.2Very high96.3Very high10 Ų1041.9 Ų41.95%0.05222%0.221CC..Hα-helixtrans-76.3-37.1-176.3-69.3175.1000113.8V4 L38 T72 L74 I79 F110 I111 F112V4-L114 HydrophobicContact CG1-CD1 3.91Å; V4-L114 HydrophobicContact CG2-CB 4.3Å; V4-L114 HydrophobicContact CG2-CD1 4.25Å; L38-L114 HydrophobicContact CD1-CD1 3.74Å; L38-L114 HydrophobicContact CD1-CD2 4.24Å; L38-L114 HydrophobicContact CD2-CD1 4.22Å; T72-L114 WeakPolarHBondContact CB-O 3.39Å; T72-L114 HydrophobicContact CG2-CD2 4.34Å; T72-L114 PolarHBondContact OG1-O 3.17Å; L74-L114 HydrophobicContact CD1-CD2 4.05Å; I79-L114 HydrophobicContact CD1-CD2 4.18Å; I79-L114 HydrophobicContact CG1-CD2 3.93Å; F110-L114 HydrophobicContact CD1-CD1 4.27Å; F110-L114 HydrophobicContact CD2-CD1 4.09Å; F110-L114 HydrophobicContact CD2-CG 4.09Å; F110-L114 HydrophobicContact CE1-CD1 3.97Å; F110-L114 HydrophobicContact CE2-CD1 3.78Å; F110-L114 HydrophobicContact CE2-CD2 3.95Å; F110-L114 HydrophobicContact CE2-CG 3.89Å; F110-L114 HydrophobicContact CG-CD1 4.32Å; F110-L114 HydrophobicContact CZ-CD1 3.71Å; F110-L114 HydrophobicContact CZ-CD2 4.38Å; F110-L114 HydrophobicContact CZ-CG 4.31Å; F110-L114 VanDerWaalsContact O-CG 3.25Å; F110-L114 WeakPolarHBondContact O-CG 3.32Å; F110-L114 PolarHBondContact O-N 3.28Å; I111-L114 PolarHBondContact O-N 2.93Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 3.4Å
115T97Very high96.1Very high31 Ų3145.1 Ų45.119%0.1924%0.238CC..Hα-helixtrans-132.8-10.4-167.571.50000114.9V4 M69 I111 Q117V4-T115 HydrophobicContact CB-CG2 3.78Å; V4-T115 HydrophobicContact CG1-CG2 4.16Å; V4-T115 HydrophobicContact CG2-CG2 3.74Å; M69-T115 VanDerWaalsContact O-CB 3.26Å; M69-T115 WeakPolarHBondContact O-CB 3.38Å; M69-T115 WeakPolarHBondContact O-CG2 3.41Å; M69-T115 PolarHBondContact O-OG1 3.46Å; I111-T115 PolarHBondContact O-N 3.22Å; I111-T115 PolarHBondContact O-OG1 2.84Å; T115-Q117 PolarHBondContact O-N 3.16Å; T115-Q117 WeakPolarHBondContact OG1-CB 3.4Å; T115-Q117 PolarHBondContact OG1-N 3.25Å
116G95.8Very high95.9Very high45 Ų4544.4 Ų44.446%0.46423%0.232SC..SBendtrans71.58.9-172.500000114.3F112F112-G116 VanDerWaalsContact O-CA 3.22Å; F112-G116 WeakPolarHBondContact O-CA 3.09Å; F112-G116 PolarHBondContact O-N 3.1Å
117Q96.4Very high95.4Very high112 Ų11245.2 Ų45.252%0.52324%0.237SC..PPolyproline II helixtrans-98.8144.7178.6-61.4-69.2-11.700110.9M69 F112 T115M69-Q117 HydrophobicContact CE-CB 4.06Å; M69-Q117 WeakPolarHBondContact O-CG 3.39Å; F112-Q117 WeakPolarHBondContact CA-O 3.39Å; F112-Q117 PolarHBondContact N-O 2.91Å; T115-Q117 PolarHBondContact O-N 3.16Å; T115-Q117 WeakPolarHBondContact OG1-CB 3.4Å; T115-Q117 PolarHBondContact OG1-N 3.25Å
118H97.6Very high94.8Very high117 Ų11750.3 Ų50.354%0.54226%0.264SS..PPolyproline II helixtrans-88.6146.4172.1-66.5-75.4000110.8M69 E108 F112M69-H118 VanDerWaalsContact CE-O 3.26Å; M69-H118 WeakPolarHBondContact CE-O 3.42Å; E108-H118 IonicContact OE1-CE1 3.89Å; E108-H118 IonicContact OE1-CG 3.14Å; E108-H118 IonicContact OE1-ND1 3.43Å; E108-H118 PolarHBondContact OE1-ND1 3.36Å; E108-H118 IonicContact OE2-ND1 3.32Å; F112-H118 AromaticContact CD2-CE1 3.5Å; F112-H118 AromaticContact CD2-ND1 3.84Å; F112-H118 AromaticContact CD2-NE2 3.77Å; F112-H118 AromaticContact CE2-CE1 3.5Å; F112-H118 AromaticContact CE2-NE2 3.43Å; F112-H118 WeakPolarHBondContact CE2-NE2 3.2Å
119I97.6Very high94.3Very high5 Ų551.9 Ų51.93%0.02627%0.271CS..PPolyproline II helixtrans-71.5160.5170.773.8172.9000110.2L6 M69 N104 E108 I111 S121 I123 L124L6-I119 HydrophobicContact CD1-CG2 3.94Å; L6-I119 HydrophobicContact CD2-CB 3.85Å; L6-I119 HydrophobicContact CD2-CG2 3.9Å; M69-I119 HydrophobicContact CE-CG2 4.28Å; N104-I119 WeakPolarHBondContact O-CD1 3.38Å; E108-I119 HydrophobicContact CB-CD1 4.06Å; E108-I119 HydrophobicContact CB-CG1 4.09Å; E108-I119 WeakPolarHBondContact OE2-CG1 3.4Å; E108-I119 PolarHBondContact OE2-N 3.07Å; I111-I119 HydrophobicContact CB-CG2 4.38Å; I111-I119 HydrophobicContact CD1-CG2 3.79Å; I119-S121 PolarHBondContact O-N 3.43Å; I119-I123 HydrophobicContact CD1-CG2 4.15Å; I119-L124 HydrophobicContact CD1-CD2 3.77Å; I119-L124 HydrophobicContact CD1-CG 4.04Å; I119-L124 HydrophobicContact CG1-CD1 3.9Å; I119-L124 HydrophobicContact CG1-CD2 3.99Å; I119-L124 HydrophobicContact CG1-CG 3.79Å
120P97.1Very high93.5Very high22 Ų2249.8 Ų49.814%0.14326%0.263CS..PPolyproline II helixtrans-55.9131-177.7-26.935.3000113.8L6 Y122 I123L6-P120 HydrophobicContact CD2-CG 4.43Å; P120-Y122 VanDerWaalsContact C-N 3.29Å; P120-Y122 HydrophobicContact CB-CD1 3.53Å; P120-Y122 HydrophobicContact CB-CE1 3.21Å; P120-Y122 HydrophobicContact CG-CE1 4.01Å; P120-Y122 PolarHBondContact O-N 2.67Å; P120-I123 HydrophobicContact CB-CD1 4.31Å; P120-I123 HydrophobicContact CB-CG1 4.43Å; P120-I123 HydrophobicContact CG-CD1 4.31Å; P120-I123 WeakPolarHBondContact O-CB 3.26Å; P120-I123 PolarHBondContact O-N 2.85Å
121S94.7Very high92.8Very high78 Ų7852.5 Ų52.555%0.54528%0.278SS..Hα-helixtrans-60.7-34.3-173.763.70000113.6I119 I123 L124 D125I119-S121 PolarHBondContact O-N 3.43Å; S121-I123 PolarHBondContact O-N 3.31Å; S121-L124 CarbonylContact O-C 3.33Å; S121-L124 PolarHBondContact O-N 2.99Å; S121-D125 WeakPolarHBondContact O-CB 3.29Å; S121-D125 PolarHBondContact O-N 3.13Å
122Y93.2Very high92.1Very high92 Ų9256.8 Ų56.836%0.36131%0.307SS..Hα-helixtrans-58.7-21.8176.776-94.5000113.6W32 P120W32-Y122 HydrophobicContact CD2-CE2 4.05Å; W32-Y122 AromaticContact CE2-CD2 3.73Å; W32-Y122 AromaticContact CE2-CE2 3.56Å; W32-Y122 HydrophobicContact CG-CE2 4.5Å; W32-Y122 HydrophobicContact CH2-CE2 4.34Å; W32-Y122 HydrophobicContact CZ2-CD2 4.01Å; W32-Y122 AromaticContact CZ2-CE2 3.71Å; W32-Y122 HydrophobicContact CZ2-CE2 3.71Å; W32-Y122 AromaticContact NE1-CD2 3.46Å; W32-Y122 AromaticContact NE1-CE2 3.75Å; P120-Y122 VanDerWaalsContact C-N 3.29Å; P120-Y122 HydrophobicContact CB-CD1 3.53Å; P120-Y122 HydrophobicContact CB-CE1 3.21Å; P120-Y122 HydrophobicContact CG-CE1 4.01Å; P120-Y122 PolarHBondContact O-N 2.67Å
123I94.1Very high91.2Very high0 Ų052.9 Ų52.90%029%0.291CS..Hα-helixtrans-79.8-43.4173.8-61.1178.8000110.6L6 I8 W32 T34 N104 I119 P120 S121L6-I123 HydrophobicContact CD2-CD1 4.41Å; I8-I123 HydrophobicContact CD1-CD1 3.82Å; I8-I123 HydrophobicContact CG1-CD1 3.89Å; I8-I123 HydrophobicContact CG2-CD1 3.98Å; W32-I123 HydrophobicContact CB-CB 4.41Å; W32-I123 HydrophobicContact CB-CG1 4.26Å; W32-I123 HydrophobicContact CB-CG2 3.86Å; W32-I123 HydrophobicContact CG-CB 4.48Å; W32-I123 HydrophobicContact CG-CG1 4.06Å; W32-I123 HydrophobicContact CG-CG2 4.45Å; T34-I123 HydrophobicContact CG2-CD1 3.89Å; T34-I123 HydrophobicContact CG2-CG2 3.86Å; N104-I123 HydrophobicContact CB-CG2 3.89Å; N104-I123 VanDerWaalsContact CG-CG2 3.47Å; I119-I123 HydrophobicContact CD1-CG2 4.15Å; P120-I123 HydrophobicContact CB-CD1 4.31Å; P120-I123 HydrophobicContact CB-CG1 4.43Å; P120-I123 HydrophobicContact CG-CD1 4.31Å; P120-I123 WeakPolarHBondContact O-CB 3.26Å; P120-I123 PolarHBondContact O-N 2.85Å; S121-I123 PolarHBondContact O-N 3.31Å
124L92.9Very high90Very high55 Ų5554.4 Ų54.429%0.28831%0.312SS..Hα-helixtrans-72.4-33.3-179.3-67.3175.8000112.9E108 I119 S121 P127E108-L124 HydrophobicContact CB-CD2 3.95Å; E108-L124 HydrophobicContact CG-CD1 4.12Å; E108-L124 HydrophobicContact CG-CD2 4.23Å; I119-L124 HydrophobicContact CD1-CD2 3.77Å; I119-L124 HydrophobicContact CD1-CG 4.04Å; I119-L124 HydrophobicContact CG1-CD1 3.9Å; I119-L124 HydrophobicContact CG1-CD2 3.99Å; I119-L124 HydrophobicContact CG1-CG 3.79Å; S121-L124 CarbonylContact O-C 3.33Å; S121-L124 PolarHBondContact O-N 2.99Å; L124-P127 WeakPolarHBondContact O-CD 3.28Å
125D92Very high88.8Confident74 Ų7458.5 Ų58.540%0.39633%0.329SS..Hα-helixtrans-82.1-23.5-176-64.8-32.8000112.3S121 N128 E129S121-D125 WeakPolarHBondContact O-CB 3.29Å; S121-D125 PolarHBondContact O-N 3.13Å; D125-N128 WeakPolarHBondContact O-CA 3.27Å; D125-N128 WeakPolarHBondContact O-CB 3.32Å; D125-N128 PolarHBondContact O-N 2.56Å; D125-E129 WeakPolarHBondContact O-CG 3.15Å; D125-E129 PolarHBondContact O-N 3.25Å
126L88.7Confident87.4Confident14 Ų1457 Ų577%0.07332%0.32CS..Hα-helixtrans-49.2-47.2-175.1175.270.3000113.7I28 G30 W32 N128 E129 V130I28-L126 HydrophobicContact CB-CD1 4.03Å; I28-L126 HydrophobicContact CD1-CD1 4.23Å; I28-L126 HydrophobicContact CG2-CD1 3.85Å; G30-L126 WeakPolarHBondContact O-CD2 3.36Å; W32-L126 HydrophobicContact CB-CD2 4.3Å; W32-L126 VanDerWaalsContact CD1-CD2 3.44Å; W32-L126 HydrophobicContact CG-CD2 4.04Å; L126-N128 VanDerWaalsContact C-N 3.3Å; L126-N128 PolarHBondContact O-N 3.22Å; L126-E129 WeakPolarHBondContact O-CB 3.31Å; L126-E129 PolarHBondContact O-N 3.11Å; L126-E129 VanDerWaalsContact O-N 3.14Å; L126-V130 HydrophobicContact CD1-CG2 4.1Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CG2 3.43Å; L126-V130 PolarHBondContact O-N 3.3Å
127P86.1Confident86.1Confident16 Ų1657.9 Ų57.910%0.10432%0.323CS..Hα-helixtrans-56.8-41.9176.7-26.736.6000113.5F99 L124 V130 L131F99-P127 HydrophobicContact CB-CB 4.39Å; F99-P127 HydrophobicContact CD1-CB 4.11Å; F99-P127 VanDerWaalsContact O-CB 3.29Å; F99-P127 WeakPolarHBondContact O-CB 3.33Å; L124-P127 WeakPolarHBondContact O-CD 3.28Å; P127-V130 PolarHBondContact O-N 3.03Å; P127-L131 WeakPolarHBondContact O-CB 3.25Å; P127-L131 VanDerWaalsContact O-CG 3.32Å; P127-L131 WeakPolarHBondContact O-CG 3.35Å; P127-L131 PolarHBondContact O-N 2.74Å
128N86.3Confident84.6Confident107 Ų10756.1 Ų56.157%0.57232%0.323SS*.Hα-helixtrans-69.5-36.7177.5-67.3-35.4000111.2D125 L126 L131 S132D125-N128 WeakPolarHBondContact O-CA 3.27Å; D125-N128 WeakPolarHBondContact O-CB 3.32Å; D125-N128 PolarHBondContact O-N 2.56Å; L126-N128 VanDerWaalsContact C-N 3.3Å; L126-N128 PolarHBondContact O-N 3.22Å; N128-L131 PolarHBondContact O-N 2.74Å; N128-S132 WeakPolarHBondContact O-CB 3.46Å; N128-S132 PolarHBondContact O-N 3.28Å
129E85.5Confident82.9Confident66 Ų6652.9 Ų52.931%0.30831%0.309SS..Hα-helixtrans-61.8-44.5174.5-60.3-155.8129.400111.9K26 D125 L126 S132K26-E129 IonicContact NZ-OE1 2.71Å; K26-E129 PolarHBondContact NZ-OE1 3.07Å; K26-E129 IonicContact NZ-OE2 3.7Å; K26-E129 PolarHBondContact NZ-OE2 3.12Å; D125-E129 WeakPolarHBondContact O-CG 3.15Å; D125-E129 PolarHBondContact O-N 3.25Å; L126-E129 WeakPolarHBondContact O-CB 3.31Å; L126-E129 PolarHBondContact O-N 3.11Å; L126-E129 VanDerWaalsContact O-N 3.14Å; E129-S132 PolarHBondContact O-N 2.82Å; E129-S132 PolarHBondContact O-OG 3.14Å
130V81.7Confident80.9Confident21 Ų2153.1 Ų53.113%0.12731%0.313CS..Hα-helixtrans-64.4-50.2177174.80000110.2L24 I28 F99 L126 P127 S132 T133 G136L24-V130 HydrophobicContact CD1-CG2 4.3Å; I28-V130 HydrophobicContact CD1-CG2 4.41Å; F99-V130 HydrophobicContact CE1-CB 4.45Å; F99-V130 HydrophobicContact CE1-CG1 4.09Å; L126-V130 HydrophobicContact CD1-CG2 4.1Å; L126-V130 HydrophobicContact CG-CG2 4.45Å; L126-V130 WeakPolarHBondContact O-CG2 3.43Å; L126-V130 PolarHBondContact O-N 3.3Å; P127-V130 PolarHBondContact O-N 3.03Å; V130-S132 PolarHBondContact O-N 2.97Å; V130-T133 PolarHBondContact O-N 2.96Å; V130-T133 PolarHBondContact O-OG1 2.82Å; V130-G136 WeakPolarHBondContact O-CA 3.45Å
131L82.1Confident78.8Confident57 Ų5756 Ų5630%0.29833%0.334SS..Hα-helixtrans-62.1-25.1179.2-72.5174.7000113.6F99 P127 N128 T133F99-L131 HydrophobicContact CB-CD1 4.05Å; F99-L131 HydrophobicContact CD1-CD1 4.09Å; F99-L131 HydrophobicContact CD1-CD2 4.11Å; F99-L131 HydrophobicContact CD1-CG 3.84Å; F99-L131 HydrophobicContact CE1-CD2 4.21Å; F99-L131 HydrophobicContact CE1-CG 4.22Å; F99-L131 HydrophobicContact CG-CD1 4.18Å; F99-L131 HydrophobicContact CG-CD2 4.32Å; F99-L131 HydrophobicContact CG-CG 4.3Å; P127-L131 WeakPolarHBondContact O-CB 3.25Å; P127-L131 VanDerWaalsContact O-CG 3.32Å; P127-L131 WeakPolarHBondContact O-CG 3.35Å; P127-L131 PolarHBondContact O-N 2.74Å; N128-L131 PolarHBondContact O-N 2.74Å; L131-T133 PolarHBondContact O-N 3.38Å
132S83.5Confident76.5Confident89 Ų8953.7 Ų53.762%0.62232%0.319SS*.THydrogen-bonded Turntrans-70.7-13.1176.4750000114N128 E129 V130N128-S132 WeakPolarHBondContact O-CB 3.46Å; N128-S132 PolarHBondContact O-N 3.28Å; E129-S132 PolarHBondContact O-N 2.82Å; E129-S132 PolarHBondContact O-OG 3.14Å; V130-S132 PolarHBondContact O-N 2.97Å
133T78.1Confident74.4Confident14 Ų1451.6 Ų51.69%0.08631%0.314CS..SBendtrans-88.9148.4177.570.60000111.3L24 K26 V130 L131 F135 G136 A137L24-T133 HydrophobicContact CB-CG2 4.22Å; L24-T133 WeakPolarHBondContact O-CG2 3.35Å; K26-T133 HydrophobicContact CB-CG2 4.35Å; V130-T133 PolarHBondContact O-N 2.96Å; V130-T133 PolarHBondContact O-OG1 2.82Å; L131-T133 PolarHBondContact O-N 3.38Å; T133-F135 PolarHBondContact O-N 2.8Å; T133-G136 PolarHBondContact O-N 3.19Å; T133-G136 PolarHBondContact OG1-N 2.75Å; T133-A137 WeakPolarHBondContact O-CB 3.38Å; T133-A137 PolarHBondContact O-N 3.48Å
134S72.5Confident72.2Confident118 Ų11854.5 Ų54.583%0.82533%0.33SS*.Hα-helixtrans-57.6-38.5179.1-53.90000112.5S138S134-S138 PolarHBondContact O-N 2.94Å
135F72.3Confident69.7Low95 Ų9557.3 Ų57.342%0.41735%0.349SS..Hα-helixtrans-69.8-48175.5-175.3-101.3000111.8V23 L24 T133 A137 S138 L139V23-F135 HydrophobicContact CG1-CD1 4.04Å; V23-F135 HydrophobicContact CG1-CE1 3.83Å; V23-F135 HydrophobicContact CG1-CZ 4.25Å; L24-F135 HydrophobicContact CD2-CB 4.31Å; L24-F135 HydrophobicContact CD2-CD1 3.61Å; L24-F135 HydrophobicContact CD2-CE1 4.45Å; L24-F135 HydrophobicContact CD2-CG 4.41Å; T133-F135 PolarHBondContact O-N 2.8Å; F135-A137 VanDerWaalsContact C-N 3.31Å; F135-A137 PolarHBondContact O-N 3Å; F135-S138 PolarHBondContact O-N 3.18Å; F135-S138 VanDerWaalsContact O-N 3.1Å; F135-S138 PolarHBondContact O-OG 3.07Å; F135-L139 HydrophobicContact CD1-CD2 4.4Å; F135-L139 HydrophobicContact CE1-CD2 3.81Å; F135-L139 HydrophobicContact CZ-CD2 4.49Å; F135-L139 WeakPolarHBondContact O-CB 3.33Å; F135-L139 PolarHBondContact O-N 2.86Å
136G67.4Low67Low0 Ų059 Ų590%036%0.357CS..Hα-helixtrans-64-33.5179.500000113.7V130 T133 S138 L139 G140V130-G136 WeakPolarHBondContact O-CA 3.45Å; T133-G136 PolarHBondContact O-N 3.19Å; T133-G136 PolarHBondContact OG1-N 2.75Å; G136-S138 VanDerWaalsContact C-N 3.32Å; G136-S138 PolarHBondContact O-N 2.99Å; G136-L139 PolarHBondContact O-N 2.9Å; G136-G140 PolarHBondContact O-N 3.02Å
137A68.7Low64.7Low63 Ų6358.8 Ų58.852%0.52136%0.357SS..Hα-helixtrans-62.1-38.4172.500000112.3T133 F135T133-A137 WeakPolarHBondContact O-CB 3.38Å; T133-A137 PolarHBondContact O-N 3.48Å; F135-A137 VanDerWaalsContact C-N 3.31Å; F135-A137 PolarHBondContact O-N 3Å
138S65.5Low62.5Low75 Ų7561.2 Ų61.252%0.52437%0.371SS..Hα-helixtrans-71.6-31.2174.171.30000113S134 F135 G136 S141S134-S138 PolarHBondContact O-N 2.94Å; F135-S138 PolarHBondContact O-N 3.18Å; F135-S138 VanDerWaalsContact O-N 3.1Å; F135-S138 PolarHBondContact O-OG 3.07Å; G136-S138 VanDerWaalsContact C-N 3.32Å; G136-S138 PolarHBondContact O-N 2.99Å; S138-S141 PolarHBondContact O-OG 2.79Å
139L61.5Low60.3Low50 Ų5058.8 Ų58.826%0.26237%0.372SS..Hα-helixtrans-85.6-21-175.6-167.764.7000113.5F135 G136 S141 A142 L143F135-L139 HydrophobicContact CD1-CD2 4.4Å; F135-L139 HydrophobicContact CE1-CD2 3.81Å; F135-L139 HydrophobicContact CZ-CD2 4.49Å; F135-L139 WeakPolarHBondContact O-CB 3.33Å; F135-L139 PolarHBondContact O-N 2.86Å; G136-L139 PolarHBondContact O-N 2.9Å; L139-S141 PolarHBondContact O-N 2.91Å; L139-A142 HydrophobicContact CD1-CB 4.43Å; L139-A142 PolarHBondContact O-N 3.13Å; L139-A142 VanDerWaalsContact O-N 3.09Å; L139-L143 HydrophobicContact CD1-CD1 4.24Å; L139-L143 HydrophobicContact CD1-CG 3.9Å; L139-L143 HydrophobicContact CD2-CD1 3.33Å; L139-L143 HydrophobicContact CD2-CG 3.96Å; L139-L143 HydrophobicContact CG-CD1 3.46Å; L139-L143 VanDerWaalsContact CG-CD1 3.46Å; L139-L143 HydrophobicContact CG-CG 3.59Å; L139-L143 PolarHBondContact O-N 3.28Å
140G55.7Low58.1Low10 Ų1059 Ų5910%0.10337%0.374CS..Hα-helixtrans-55.2-33.8-177.400000114.6G136 N144G136-G140 PolarHBondContact O-N 3.02Å; G140-N144 PolarHBondContact O-ND2 3.26Å; G140-N144 VanDerWaalsContact O-ND2 3.08Å
141S52.6Low56Low82 Ų8258.6 Ų58.657%0.57337%0.371SS*.Hα-helixtrans-74-44.4174.944.20000112.4S138 L139S138-S141 PolarHBondContact O-OG 2.79Å; L139-S141 PolarHBondContact O-N 2.91Å
142A45.4Very low53.7Low30 Ų3060.3 Ų60.325%0.24839%0.388CS..Hα-helixtrans-72.5-41.4-174.700000113.4L139 N144 V145L139-A142 HydrophobicContact CD1-CB 4.43Å; L139-A142 PolarHBondContact O-N 3.13Å; L139-A142 VanDerWaalsContact O-N 3.09Å; A142-N144 PolarHBondContact O-N 3.05Å; A142-V145 WeakPolarHBondContact O-CB 3.46Å; A142-V145 PolarHBondContact O-N 2.86Å
143L49.4Very low51.6Low48 Ų4859.4 Ų59.425%0.25137%0.373SS..Hα-helixtrans-76.3-22.3-172.8-82.2179.7000115.2L98 F99 L139 V145 L146 S147L98-L143 HydrophobicContact CD2-CB 3.6Å; L98-L143 HydrophobicContact CD2-CD1 3.95Å; L98-L143 HydrophobicContact CD2-CG 4.29Å; F99-L143 HydrophobicContact CE2-CB 3.95Å; F99-L143 HydrophobicContact CE2-CD1 4.43Å; F99-L143 HydrophobicContact CZ-CB 4.33Å; F99-L143 HydrophobicContact CZ-CD1 3.98Å; L139-L143 HydrophobicContact CD1-CD1 4.24Å; L139-L143 HydrophobicContact CD1-CG 3.9Å; L139-L143 HydrophobicContact CD2-CD1 3.33Å; L139-L143 HydrophobicContact CD2-CG 3.96Å; L139-L143 HydrophobicContact CG-CD1 3.46Å; L139-L143 VanDerWaalsContact CG-CD1 3.46Å; L139-L143 HydrophobicContact CG-CG 3.59Å; L139-L143 PolarHBondContact O-N 3.28Å; L143-V145 PolarHBondContact O-N 3.23Å; L143-L146 HydrophobicContact CD2-CB 4.34Å; L143-L146 HydrophobicContact CD2-CD1 3.87Å; L143-L146 PolarHBondContact O-N 3.31Å; L143-L146 VanDerWaalsContact O-N 3.1Å; L143-S147 PolarHBondContact O-N 2.8Å; L143-S147 PolarHBondContact O-OG 3.44Å
144N48.5Very low49.8Very low61 Ų6162.4 Ų62.433%0.32639%0.391SS..Hα-helixtrans-60.2-29.5173.1-84-47.1000111.2S97 L98 G140 A142S97-N144 PolarHBondContact OG-OD1 3.29Å; L98-N144 PolarHBondContact N-OD1 3.08Å; G140-N144 PolarHBondContact O-ND2 3.26Å; G140-N144 VanDerWaalsContact O-ND2 3.08Å; A142-N144 PolarHBondContact O-N 3.05Å
145V40.3Very low48.3Very low113 Ų11360.2 Ų60.269%0.68537%0.368SS*.Hα-helixtrans-74.1-32.4176.5-176.80000111.8A142 L143 S147 V148A142-V145 WeakPolarHBondContact O-CB 3.46Å; A142-V145 PolarHBondContact O-N 2.86Å; L143-V145 PolarHBondContact O-N 3.23Å; V145-S147 VanDerWaalsContact C-N 3.32Å; V145-S147 PolarHBondContact O-N 2.86Å; V145-V148 WeakPolarHBondContact O-CG2 3.38Å
146L34.4Very low46.5Very low110 Ų11056.1 Ų56.158%0.57635%0.35SS*.Hα-helixtrans-82.9-1.9-176.1-68.5169.6000114.4L143 V148L143-L146 HydrophobicContact CD2-CB 4.34Å; L143-L146 HydrophobicContact CD2-CD1 3.87Å; L143-L146 PolarHBondContact O-N 3.31Å; L143-L146 VanDerWaalsContact O-N 3.1Å; L146-V148 PolarHBondContact O-N 3.2Å
147S42.3Very low45Very low9 Ų961.4 Ų61.46%0.06338%0.378CS..G310 helixtrans-701.9-178.5-660000115.1L98 L143 V145 G149L98-S147 WeakPolarHBondContact CB-OG 3.3Å; L143-S147 PolarHBondContact O-N 2.8Å; L143-S147 PolarHBondContact O-OG 3.44Å; V145-S147 VanDerWaalsContact C-N 3.32Å; V145-S147 PolarHBondContact O-N 2.86Å; S147-G149 VanDerWaalsContact C-N 3.27Å; S147-G149 PolarHBondContact O-N 2.95Å
148V38.8Very low43.5Very low67 Ų6761 Ų6141%0.40637%0.372SS..G310 helixtrans-73.3-12.3-172.5-179.40000113.5V145 L146V145-V148 WeakPolarHBondContact O-CG2 3.38Å; L146-V148 PolarHBondContact O-N 3.2Å
149G39.5Very low41.9Very low57 Ų5760.7 Ų60.759%0.58836%0.364SS*.G310 helixtrans-100.2-17.5-168.900000117.6S147S147-G149 VanDerWaalsContact C-N 3.27Å; S147-G149 PolarHBondContact O-N 2.95Å
150I39.6Very low40.4Very low69 Ų6968.5 Ų68.535%0.35440%0.396SS..SBendtrans-100.8110.8-173.5-50.7179.7000107.5L11L11-I150 HydrophobicContact CD1-CD1 3.8Å
151N38.4Very low38.9Very low13 Ų1375.9 Ų75.97%0.0743%0.428CS..  trans90.289.7171-52.3-23.3000117.1H33 F44 Q51H33-N151 PolarHBondContact CE1-ND2 3.07Å; H33-N151 PolarHBondContact NE2-ND2 3.17Å; F44-N151 HydrophobicContact CD2-CB 4.03Å; F44-N151 HydrophobicContact CE2-CB 3.7Å; Q51-N151 PolarHBondContact OE1-O 3.16Å
152S34.4Very low37.6Very low93 Ų9378 Ų7865%0.6544%0.437SS*.  trans-127.486.9160.931.10000110.3
153K38Very low36.9Very low71 Ų7182.7 Ų82.731%0.30947%0.465SS..SBendtrans-141.6122.5157.9-71.8-170.7-177.5173.90109.8Q51Q51-K153 VanDerWaalsContact CB-O 3.32Å; Q51-K153 WeakPolarHBondContact CB-O 3.45Å; Q51-K153 WeakPolarHBondContact CG-O 3.48Å; Q51-K153 PolarHBondContact NE2-O 3.18Å; Q51-K153 VanDerWaalsContact OE1-N 3.14Å; Q51-K153 PolarHBondContact OE1-O 3.46Å
154T40.3Very low36Very low76 Ų7684.6 Ų84.647%0.46648%0.482SS..  trans59109.2165.3370000118.4Q51 Y52Q51-T154 WeakPolarHBondContact CG-O 3.07Å; Y52-T154 PolarHBondContact O-OG1 3.2Å
155H42.2Very low35.5Very low73 Ų7389.1 Ų89.134%0.33851%0.507SS..BIsolated β-bridgetrans-78.8140.5174.2-152-83.9000110.8S48 P93 N157 S158S48-H155 PolarHBondContact O-CD2 3.26Å; S48-H155 VanDerWaalsContact O-CD2 3.26Å; S48-H155 PolarHBondContact O-NE2 3.17Å; P93-H155 VanDerWaalsContact CG-NE2 3.28Å; P93-H155 WeakPolarHBondContact CG-NE2 3.42Å; H155-N157 PolarHBondContact O-N 3.28Å; H155-S158 PolarHBondContact O-N 2.66Å; H155-S158 PolarHBondContact O-OG 2.63Å
156L33.5Very low35.8Very low9 Ų991 Ų915%0.04751%0.506CS..G310 helixtrans-54.5-29.1-178.2-15984.8000114.1Y52 F80 L83 E84 S158 I159Y52-L156 HydrophobicContact CD1-CD1 4.48Å; F80-L156 HydrophobicContact CD1-CD1 4.13Å; F80-L156 HydrophobicContact CE1-CD1 4.31Å; L83-L156 HydrophobicContact CB-CD1 4.18Å; L83-L156 HydrophobicContact CB-CD2 4.15Å; E84-L156 HydrophobicContact CB-CD2 3.74Å; E84-L156 HydrophobicContact CG-CD2 4.35Å; E84-L156 VanDerWaalsContact N-CD2 3.31Å; L156-S158 PolarHBondContact O-N 2.96Å; L156-S158 VanDerWaalsContact O-N 3.09Å; L156-I159 HydrophobicContact CD1-CD1 3.72Å; L156-I159 HydrophobicContact CG-CD1 3.8Å; L156-I159 VanDerWaalsContact O-CD1 3.25Å; L156-I159 WeakPolarHBondContact O-CD1 3.46Å; L156-I159 VanDerWaalsContact O-CG1 3.23Å; L156-I159 WeakPolarHBondContact O-CG1 3.46Å; L156-I159 PolarHBondContact O-N 2.84Å
157N35.2Very low36.9Very low110 Ų11090.3 Ų90.359%0.58850%0.503SS*.G310 helixtrans-69.2-5.4179.4-70-1.9000114.5H155H155-N157 PolarHBondContact O-N 3.28Å
158S37.6Very low38.2Very low55 Ų5597.7 Ų97.739%0.38553%0.533SS..G310 helixtrans-86.7-1.6177.160.10000114.6H155 L156 K160 E161H155-S158 PolarHBondContact O-N 2.66Å; H155-S158 PolarHBondContact O-OG 2.63Å; L156-S158 PolarHBondContact O-N 2.96Å; L156-S158 VanDerWaalsContact O-N 3.09Å; S158-K160 PolarHBondContact O-N 3.4Å; S158-E161 PolarHBondContact O-N 3.2Å
159I31.8Very low40.4Very low69 Ų6996 Ų9635%0.35452%0.521SS..THydrogen-bonded Turntrans-66.3-7.9-172.3-67.9167.4000114.9Y52 F80 L156 E161Y52-I159 HydrophobicContact CE1-CD1 3.89Å; Y52-I159 HydrophobicContact CE1-CG1 3.95Å; F80-I159 HydrophobicContact CD1-CD1 3.35Å; F80-I159 HydrophobicContact CE1-CD1 3.32Å; F80-I159 HydrophobicContact CE1-CG1 4.37Å; F80-I159 HydrophobicContact CG-CD1 4.43Å; F80-I159 HydrophobicContact CZ-CD1 4.38Å; L156-I159 HydrophobicContact CD1-CD1 3.72Å; L156-I159 HydrophobicContact CG-CD1 3.8Å; L156-I159 VanDerWaalsContact O-CD1 3.25Å; L156-I159 WeakPolarHBondContact O-CD1 3.46Å; L156-I159 VanDerWaalsContact O-CG1 3.23Å; L156-I159 WeakPolarHBondContact O-CG1 3.46Å; L156-I159 PolarHBondContact O-N 2.84Å; I159-E161 PolarHBondContact O-N 3.5Å
160K30.2Very low42.6Very low213 Ų21396 Ų9693%0.92651%0.51SS*.THydrogen-bonded Turntrans-74.4-9.1167.1-77.3-167.6178-178.80114.1S158S158-K160 PolarHBondContact O-N 3.4Å
161E25.7Very low44.9Very low166 Ų16695.6 Ų95.678%0.77650%0.504SS*.SBendtrans-111.8111.3175.8-65-172.4179.800109.6S158 I159S158-E161 PolarHBondContact O-N 3.2Å; I159-E161 PolarHBondContact O-N 3.5Å
162T24Very low47.1Very low126 Ų12697.6 Ų97.677%0.77352%0.522SS*.  trans-49.7142.2162.9-14.50000108S164T162-S164 PolarHBondContact O-N 3.48Å
163P30.7Very low49.4Very low129 Ų12996.3 Ų96.384%0.83851%0.509SS*.  trans-66.882.8175.627-32.4000109.2N165P163-N165 PolarHBondContact O-N 2.8Å
164S31.5Very low51.7Low88 Ų8893 Ų9362%0.61549%0.494SS*.  trans-60.6123.1160157.90000105.7T162 K166T162-S164 PolarHBondContact O-N 3.48Å; S164-K166 PolarHBondContact O-N 3.46Å
165N38.1Very low53.7Low156 Ų15690.8 Ų90.883%0.83448%0.48SS*.SBendtrans-66.740.7178.7-159.327.9000113.1P163P163-N165 PolarHBondContact O-N 2.8Å
166K45.1Very low55.6Low152 Ų15295.4 Ų95.466%0.66150%0.5SS*.  trans-126.677.7173.3-67.8-167.4176.4-163.80106.9S164 K168S164-K166 PolarHBondContact O-N 3.46Å; K166-K168 VanDerWaalsContact C-N 3.32Å; K166-K168 PolarHBondContact O-N 3.35Å
167D57.3Low57.8Low96 Ų9698.8 Ų98.851%0.51352%0.524SS..  trans-54.5106.4159.5-96.7-9.5000105.5H169 K522D167-H169 VanDerWaalsContact C-N 3.29Å; D167-H169 PolarHBondContact O-CD2 2.9Å; D167-H169 PolarHBondContact O-N 3.46Å; D167-K522 WeakPolarHBondContact OD2-CE 3.45Å; D167-K522 IonicContact OD2-NZ 3.92Å
168K70Confident60.1Low163 Ų16394.9 Ų94.971%0.70950%0.502SS*.  trans-65.895.5179-75.3-178.2-178.9173.40107.9K166 T170 N173K166-K168 VanDerWaalsContact C-N 3.32Å; K166-K168 PolarHBondContact O-N 3.35Å; K168-T170 HydrophobicContact CB-CG2 4.43Å; K168-T170 PolarHBondContact O-N 2.95Å; K168-N173 PolarHBondContact O-ND2 3.08Å
169H85Confident62.3Low31 Ų31100.9 Ų100.914%0.14452%0.516CS..  trans-66.296.2174.9-63.2-73.5000108.6D167 Y425 V429 K522 F526D167-H169 VanDerWaalsContact C-N 3.29Å; D167-H169 PolarHBondContact O-CD2 2.9Å; D167-H169 PolarHBondContact O-N 3.46Å; H169-Y425 AromaticContact ND1-CE2 3.49Å; H169-Y425 WeakPolarHBondContact ND1-CE2 3.27Å; H169-Y425 AromaticContact ND1-CZ 3.61Å; H169-Y425 PolarHBondContact ND1-OH 3.48Å; H169-V429 HydrophobicContact CB-CG1 4.25Å; H169-V429 HydrophobicContact CB-CG2 4.05Å; H169-K522 PolarHBondContact CE1-O 3.05Å; H169-F526 HydrophobicContact CB-CB 4.48Å; H169-F526 HydrophobicContact CB-CD2 3.34Å; H169-F526 HydrophobicContact CB-CE2 3.9Å; H169-F526 HydrophobicContact CB-CG 4.2Å; H169-F526 AromaticContact CD2-CD2 3.84Å; H169-F526 AromaticContact CG-CD2 3.58Å
170T86.8Confident65.1Low58 Ų5898.1 Ų98.136%0.35650%0.503SS..  trans-136.3146.3177.365.60000109.8K168 A172 N173 I174K168-T170 HydrophobicContact CB-CG2 4.43Å; K168-T170 PolarHBondContact O-N 2.95Å; T170-A172 PolarHBondContact O-N 3.45Å; T170-N173 PolarHBondContact O-N 3.37Å; T170-N173 WeakPolarHBondContact OG1-CB 3.48Å; T170-N173 PolarHBondContact OG1-N 3.22Å; T170-N173 PolarHBondContact OG1-ND2 3.26Å; T170-I174 PolarHBondContact O-N 3.22Å
171Y86.4Confident68Low60 Ų6088.8 Ų88.824%0.23546%0.462CS..Hα-helixtrans-55.4-38.9174.8175.2-110.5000112.1N173 I174 V175 L384 R430Y171-N173 VanDerWaalsContact C-N 3.31Å; Y171-N173 PolarHBondContact O-N 3.02Å; Y171-I174 WeakPolarHBondContact O-CB 3.49Å; Y171-I174 PolarHBondContact O-N 3.32Å; Y171-I174 VanDerWaalsContact O-N 3.15Å; Y171-V175 HydrophobicContact CD1-CG2 4.3Å; Y171-V175 HydrophobicContact CD2-CG2 4.06Å; Y171-V175 HydrophobicContact CE1-CG2 3.83Å; Y171-V175 HydrophobicContact CE2-CG2 3.54Å; Y171-V175 HydrophobicContact CG-CG2 4.41Å; Y171-V175 VanDerWaalsContact CZ-CG2 3.41Å; Y171-V175 WeakPolarHBondContact O-CG2 3.39Å; Y171-V175 PolarHBondContact O-N 2.98Å; Y171-L384 PolarHBondContact OH-O 3.04Å; Y171-R430 HydrophobicContact CD2-CB 4.38Å; Y171-R430 HydrophobicContact CD2-CG 4.26Å; Y171-R430 HydrophobicContact CG-CG 4.45Å
172A85.1Confident71.2Confident55 Ų5583.4 Ų83.446%0.45544%0.437SS..Hα-helixtrans-61.3-37.5176.300000113T170 K176T170-A172 PolarHBondContact O-N 3.45Å; A172-K176 VanDerWaalsContact O-CG 3.27Å; A172-K176 WeakPolarHBondContact O-CG 3.12Å; A172-K176 PolarHBondContact O-N 3.4Å
173N82.7Confident74.6Confident67 Ų6778.5 Ų78.536%0.35841%0.405SS..Hα-helixtrans-72.1-36.2175.4-72.7-15.4000111.7K168 T170 Y171 K176 S177K168-N173 PolarHBondContact O-ND2 3.08Å; T170-N173 PolarHBondContact O-N 3.37Å; T170-N173 WeakPolarHBondContact OG1-CB 3.48Å; T170-N173 PolarHBondContact OG1-N 3.22Å; T170-N173 PolarHBondContact OG1-ND2 3.26Å; Y171-N173 VanDerWaalsContact C-N 3.31Å; Y171-N173 PolarHBondContact O-N 3.02Å; N173-K176 PolarHBondContact O-N 3.02Å; N173-S177 WeakPolarHBondContact O-CB 3.32Å; N173-S177 PolarHBondContact O-N 2.95Å; N173-S177 PolarHBondContact O-OG 2.72Å
174I86.1Confident77.4Confident2 Ų276.1 Ų76.11%0.0139%0.385CS..Hα-helixtrans-61-54.3175.2-71.6167.7000110.4T170 Y171 K176 S177 F178 L384 Y425 F426 V429T170-I174 PolarHBondContact O-N 3.22Å; Y171-I174 WeakPolarHBondContact O-CB 3.49Å; Y171-I174 PolarHBondContact O-N 3.32Å; Y171-I174 VanDerWaalsContact O-N 3.15Å; I174-K176 PolarHBondContact O-N 3.43Å; I174-K176 VanDerWaalsContact O-N 3.14Å; I174-S177 PolarHBondContact O-N 3.26Å; I174-F178 HydrophobicContact CB-CD2 4.29Å; I174-F178 HydrophobicContact CG1-CD2 4.5Å; I174-F178 HydrophobicContact CG1-CE2 4.47Å; I174-F178 HydrophobicContact CG2-CD2 3.88Å; I174-F178 WeakPolarHBondContact O-CD2 3.26Å; I174-F178 PolarHBondContact O-N 3.43Å; I174-L384 HydrophobicContact CG2-CD2 3.84Å; I174-Y425 HydrophobicContact CD1-CD1 4.38Å; I174-Y425 HydrophobicContact CD1-CE1 3.83Å; I174-Y425 HydrophobicContact CG1-CE1 3.88Å; I174-F426 HydrophobicContact CB-CD1 4.48Å; I174-F426 HydrophobicContact CD1-CD1 4.05Å; I174-F426 HydrophobicContact CG1-CD1 4.27Å; I174-F426 HydrophobicContact CG2-CB 4.36Å; I174-F426 HydrophobicContact CG2-CD1 3.42Å; I174-F426 VanDerWaalsContact CG2-CD1 3.42Å; I174-F426 HydrophobicContact CG2-CD2 4.16Å; I174-F426 HydrophobicContact CG2-CE1 3.72Å; I174-F426 HydrophobicContact CG2-CE2 4.39Å; I174-F426 HydrophobicContact CG2-CG 3.71Å; I174-F426 HydrophobicContact CG2-CZ 4.21Å; I174-V429 HydrophobicContact CD1-CB 3.61Å; I174-V429 HydrophobicContact CD1-CG1 3.54Å; I174-V429 HydrophobicContact CD1-CG2 4.01Å
175V83.7Confident80.1Confident29 Ų2974.7 Ų74.718%0.17637%0.369CS..Hα-helixtrans-59.1-30.2-179.9174.50000112.4Y171 F311Y171-V175 HydrophobicContact CD1-CG2 4.3Å; Y171-V175 HydrophobicContact CD2-CG2 4.06Å; Y171-V175 HydrophobicContact CE1-CG2 3.83Å; Y171-V175 HydrophobicContact CE2-CG2 3.54Å; Y171-V175 HydrophobicContact CG-CG2 4.41Å; Y171-V175 VanDerWaalsContact CZ-CG2 3.41Å; Y171-V175 WeakPolarHBondContact O-CG2 3.39Å; Y171-V175 PolarHBondContact O-N 2.98Å; V175-F311 HydrophobicContact CG1-CD2 4.41Å; V175-F311 HydrophobicContact CG1-CE2 4.01Å
176K80.6Confident82.6Confident170 Ų17072.6 Ų72.674%0.73936%0.363SS*.Hα-helixtrans-77.3-33175.2-73.8174.4-177.7178.90113.5A172 N173 I174A172-K176 VanDerWaalsContact O-CG 3.27Å; A172-K176 WeakPolarHBondContact O-CG 3.12Å; A172-K176 PolarHBondContact O-N 3.4Å; N173-K176 PolarHBondContact O-N 3.02Å; I174-K176 PolarHBondContact O-N 3.43Å; I174-K176 VanDerWaalsContact O-N 3.14Å
177S79.4Confident84.8Confident80 Ų8066.4 Ų66.456%0.55934%0.337SS*.Hα-helixtrans-95.3-25.5-171.2-59.90000113.2N173 I174N173-S177 WeakPolarHBondContact O-CB 3.32Å; N173-S177 PolarHBondContact O-N 2.95Å; N173-S177 PolarHBondContact O-OG 2.72Å; I174-S177 PolarHBondContact O-N 3.26Å
178F84.2Confident86.3Confident28 Ų2864.3 Ų64.312%0.12333%0.33CS..  trans-114136.5-176.6-65-83.3000110.7I174 Y425 F426 I519I174-F178 HydrophobicContact CB-CD2 4.29Å; I174-F178 HydrophobicContact CG1-CD2 4.5Å; I174-F178 HydrophobicContact CG1-CE2 4.47Å; I174-F178 HydrophobicContact CG2-CD2 3.88Å; I174-F178 WeakPolarHBondContact O-CD2 3.26Å; I174-F178 PolarHBondContact O-N 3.43Å; F178-Y425 HydrophobicContact CE2-CE1 4.19Å; F178-F426 HydrophobicContact CB-CE1 4.38Å; F178-F426 HydrophobicContact CB-CE2 4.23Å; F178-F426 HydrophobicContact CB-CZ 3.68Å; F178-F426 AromaticContact CD1-CE1 4Å; F178-F426 HydrophobicContact CD1-CE1 4Å; F178-F426 AromaticContact CD1-CZ 3.55Å; F178-F426 HydrophobicContact CD1-CZ 3.55Å; F178-F426 AromaticContact CD2-CE1 3.53Å; F178-F426 HydrophobicContact CD2-CE1 3.53Å; F178-F426 AromaticContact CD2-CZ 3.7Å; F178-F426 HydrophobicContact CD2-CZ 3.7Å; F178-F426 HydrophobicContact CE1-CE1 4.1Å; F178-F426 HydrophobicContact CE1-CZ 4.04Å; F178-F426 AromaticContact CE2-CE1 3.66Å; F178-F426 HydrophobicContact CE2-CE1 3.66Å; F178-F426 HydrophobicContact CE2-CZ 4.18Å; F178-F426 AromaticContact CG-CE1 3.7Å; F178-F426 HydrophobicContact CG-CE1 3.7Å; F178-F426 HydrophobicContact CG-CE2 4.34Å; F178-F426 AromaticContact CG-CZ 3.34Å; F178-F426 HydrophobicContact CG-CZ 3.34Å; F178-F426 AromaticContact CZ-CE1 3.93Å; F178-F426 HydrophobicContact CZ-CE1 3.93Å; F178-F426 HydrophobicContact CZ-CZ 4.33Å; F178-I519 HydrophobicContact CE1-CD1 3.75Å; F178-I519 HydrophobicContact CZ-CD1 4.2Å
179R83.6Confident87.3Confident181 Ų18160.6 Ų60.668%0.68333%0.325SS*.PPolyproline II helixtrans-96.9147.6173.5-65.1-162.2178.4-153.61.8110.1H380R179-H380 PolarHBondContact O-CE1 3.29Å
180P91Very high87.6Confident11 Ų1165.3 Ų65.37%0.07135%0.347CS..PPolyproline II helixtrans-56.4155.2166.4-22.734.3000111.8F182 F311 N381 L384P180-F182 HydrophobicContact CB-CE2 4.08Å; P180-F182 HydrophobicContact CB-CZ 3.94Å; P180-F182 HydrophobicContact CG-CZ 4.39Å; P180-F182 WeakPolarHBondContact O-CD2 3.38Å; P180-F182 WeakPolarHBondContact O-CE2 3.3Å; P180-F311 HydrophobicContact CG-CD1 3.93Å; P180-F311 HydrophobicContact CG-CD2 4.4Å; P180-F311 HydrophobicContact CG-CE1 3.99Å; P180-F311 HydrophobicContact CG-CE2 4.46Å; P180-F311 HydrophobicContact CG-CG 4.11Å; P180-F311 HydrophobicContact CG-CZ 4.25Å; P180-N381 WeakPolarHBondContact CA-OD1 3.2Å; P180-L384 HydrophobicContact CG-CD1 4.3Å
181I91.8Very high87.9Confident16 Ų1663.4 Ų63.48%0.08234%0.335CS..PPolyproline II helixtrans-84.1140.5172.7-64160.4000108.3C304 A377 H380 N381 Y419I181-C304 PolarHBondContact O-SG 3.14Å; I181-C304 VanDerWaalsContact O-SG 3.39Å; I181-A377 HydrophobicContact CB-CB 4.35Å; I181-A377 HydrophobicContact CD1-CB 4.06Å; I181-A377 HydrophobicContact CG2-CB 3.82Å; I181-H380 HydrophobicContact CD1-CB 3.67Å; I181-H380 VanDerWaalsContact CD1-CG 3.45Å; I181-N381 PolarHBondContact N-OD1 2.88Å; I181-N381 PolarHBondContact O-ND2 3.27Å; I181-Y419 HydrophobicContact CD1-CD1 3.68Å; I181-Y419 HydrophobicContact CD1-CD2 3.74Å; I181-Y419 HydrophobicContact CD1-CE1 3.53Å; I181-Y419 HydrophobicContact CD1-CE2 3.59Å; I181-Y419 HydrophobicContact CD1-CG 3.78Å; I181-Y419 VanDerWaalsContact CD1-CZ 3.48Å; I181-Y419 HydrophobicContact CG1-CE1 4.07Å; I181-Y419 HydrophobicContact CG1-CE2 4.42Å; I181-Y419 HydrophobicContact CG2-CE2 4.3Å
182F93.2Very high88.2Confident54 Ų5462.9 Ų62.924%0.23734%0.336CS..  trans-128.1149.3177.5-62.8-76000109.9P180 W259 N305 G308 L309P180-F182 HydrophobicContact CB-CE2 4.08Å; P180-F182 HydrophobicContact CB-CZ 3.94Å; P180-F182 HydrophobicContact CG-CZ 4.39Å; P180-F182 WeakPolarHBondContact O-CD2 3.38Å; P180-F182 WeakPolarHBondContact O-CE2 3.3Å; F182-W259 HydrophobicContact CB-CE3 4.1Å; F182-W259 HydrophobicContact CB-CH2 4.09Å; F182-W259 HydrophobicContact CB-CZ3 3.65Å; F182-W259 HydrophobicContact CD1-CE3 4Å; F182-W259 AromaticContact CD1-CZ3 3.69Å; F182-W259 HydrophobicContact CD1-CZ3 3.69Å; F182-W259 HydrophobicContact CD2-CH2 4.16Å; F182-W259 AromaticContact CD2-CZ3 3.72Å; F182-W259 HydrophobicContact CD2-CZ3 3.72Å; F182-W259 HydrophobicContact CE1-CZ3 4.25Å; F182-W259 HydrophobicContact CE2-CZ3 4.27Å; F182-W259 HydrophobicContact CG-CE3 4.04Å; F182-W259 HydrophobicContact CG-CH2 4.1Å; F182-W259 AromaticContact CG-CZ3 3.39Å; F182-W259 HydrophobicContact CG-CZ3 3.39Å; F182-W259 HydrophobicContact CZ-CZ3 4.5Å; F182-N305 VanDerWaalsContact CA-OD1 3.32Å; F182-N305 WeakPolarHBondContact CA-OD1 3.41Å; F182-N305 HydrophobicContact CD1-CB 4.45Å; F182-G308 VanDerWaalsContact CZ-C 3.41Å; F182-G308 WeakPolarHBondContact CZ-O 3.17Å; F182-L309 HydrophobicContact CD1-CG 4.49Å; F182-L309 HydrophobicContact CE1-CD2 3.88Å; F182-L309 HydrophobicContact CE1-CG 3.76Å; F182-L309 HydrophobicContact CZ-CD2 4.21Å; F182-L309 HydrophobicContact CZ-CG 4.48Å
183F93.5Very high88.5Confident23 Ų2361.3 Ų61.310%0.10132%0.321CS..  trans-106.897.9171.9-70.3-80.3000107.9E185 R255 K301 C304 N305 V374 A377F183-E185 VanDerWaalsContact C-OE2 3.23Å; F183-E185 VanDerWaalsContact CA-OE2 3.25Å; F183-E185 WeakPolarHBondContact CA-OE2 3.48Å; F183-E185 VanDerWaalsContact CB-OE2 3.25Å; F183-E185 WeakPolarHBondContact CB-OE2 3.42Å; F183-R255 VanDerWaalsContact C-NH1 3.33Å; F183-R255 HydrophobicContact CB-CG 4.26Å; F183-R255 PolarHBondContact O-NH1 3.38Å; F183-K301 HydrophobicContact CB-CB 4.2Å; F183-K301 HydrophobicContact CB-CG 4.34Å; F183-K301 HydrophobicContact CD1-CD 4.13Å; F183-K301 HydrophobicContact CD1-CG 3.86Å; F183-K301 HydrophobicContact CD2-CB 3.84Å; F183-K301 HydrophobicContact CD2-CG 3.81Å; F183-K301 HydrophobicContact CE1-CG 4.09Å; F183-K301 HydrophobicContact CE2-CB 4.37Å; F183-K301 HydrophobicContact CE2-CG 4.02Å; F183-K301 HydrophobicContact CG-CB 3.95Å; F183-K301 HydrophobicContact CG-CD 4.25Å; F183-K301 HydrophobicContact CG-CG 3.73Å; F183-K301 HydrophobicContact CZ-CG 4.16Å; F183-C304 HydrophobicContact CD2-CB 3.89Å; F183-C304 HydrophobicContact CE2-CB 3.81Å; F183-N305 PolarHBondContact N-OD1 3.08Å; F183-N305 PolarHBondContact O-ND2 3.27Å; F183-V374 HydrophobicContact CE1-CG2 3.91Å; F183-V374 HydrophobicContact CE2-CG1 4.48Å; F183-V374 HydrophobicContact CZ-CB 4.24Å; F183-V374 HydrophobicContact CZ-CG1 4.22Å; F183-V374 HydrophobicContact CZ-CG2 3.84Å; F183-A377 HydrophobicContact CE2-CB 3.87Å; F183-A377 HydrophobicContact CZ-CB 3.66Å
184D90.2Very high88.9Confident79 Ų7964 Ų6442%0.42233%0.331SS..  trans-109.411.6-179.165.7-21.1000112.8W259D184-W259 HydrophobicContact CB-CD2 4.12Å; D184-W259 HydrophobicContact CB-CG 4.26Å; D184-W259 HydrophobicContact CB-CZ2 3.89Å; D184-W259 VanDerWaalsContact CB-NE1 3.27Å
185E89.3Confident89.3Confident58 Ų5870.4 Ų70.427%0.27136%0.355SS..PPolyproline II helixtrans-59.7138.4179.867.5-85.3-158.600111.2F183 R255 L256 K301F183-E185 VanDerWaalsContact C-OE2 3.23Å; F183-E185 VanDerWaalsContact CA-OE2 3.25Å; F183-E185 WeakPolarHBondContact CA-OE2 3.48Å; F183-E185 VanDerWaalsContact CB-OE2 3.25Å; F183-E185 WeakPolarHBondContact CB-OE2 3.42Å; E185-R255 PolarHBondContact O-NH1 3.37Å; E185-R255 PolarHBondContact O-NH2 2.92Å; E185-R255 IonicContact OE1-CZ 3.09Å; E185-R255 IonicContact OE1-NE 3.98Å; E185-R255 IonicContact OE1-NH1 3.82Å; E185-R255 IonicContact OE1-NH2 3.14Å; E185-R255 IonicContact OE2-CZ 2.8Å; E185-R255 IonicContact OE2-NH1 3.19Å; E185-R255 PolarHBondContact OE2-NH1 2.93Å; E185-L256 WeakPolarHBondContact O-CD2 3.36Å; E185-K301 WeakPolarHBondContact OE1-CD 3.34Å; E185-K301 WeakPolarHBondContact OE1-CE 3.45Å; E185-K301 IonicContact OE1-NZ 3.94Å; E185-K301 PolarHBondContact OE1-NZ 3.31Å
186P90.7Very high89.7Confident112 Ų11269 Ų6973%0.72735%0.347SS*.PPolyproline II helixtrans-61.6157.7-173.525.9-35.4000112.2S188P186-S188 PolarHBondContact O-N 3.19Å
187L89.3Confident90.3Very high21 Ų2165.5 Ų65.511%0.1133%0.329CS..PPolyproline II helixtrans-60.4130.3-178.7-167.268000110.6L191 S216 L220 L253 L256L187-L191 HydrophobicContact CD1-CB 3.77Å; L187-L191 HydrophobicContact CD1-CD1 3.61Å; L187-L191 HydrophobicContact CD1-CG 4.35Å; L187-L191 HydrophobicContact CD2-CB 4.01Å; L187-L191 WeakPolarHBondContact CD2-O 3.23Å; L187-L191 HydrophobicContact CG-CB 3.73Å; L187-L191 HydrophobicContact CG-CD1 4.4Å; L187-S216 WeakPolarHBondContact CD2-OG 3.41Å; L187-L220 HydrophobicContact CB-CD2 4.5Å; L187-L253 HydrophobicContact CD1-CD2 4.28Å; L187-L253 HydrophobicContact CD2-CD2 4.27Å; L187-L256 HydrophobicContact CB-CD1 3.8Å; L187-L256 HydrophobicContact CD1-CD1 4.08Å
188S90.8Very high90.9Very high52 Ų5268.3 Ų68.336%0.36434%0.337SS..PPolyproline II helixtrans-57.9148.4177.8177.80000111.4P186 E190 L191P186-S188 PolarHBondContact O-N 3.19Å; S188-E190 PolarHBondContact O-N 2.75Å; S188-E190 VanDerWaalsContact O-N 3.1Å; S188-E190 PolarHBondContact OG-N 3.5Å; S188-L191 PolarHBondContact O-N 3.02Å
189S90.2Very high91.2Very high85 Ų8569.1 Ų69.159%0.59434%0.343SS*.G310 helixtrans-61.3-18.5175.661.40000113.3L191 L192 R195S189-L191 VanDerWaalsContact C-N 3.27Å; S189-L192 WeakPolarHBondContact O-CD1 3.49Å; S189-L192 VanDerWaalsContact O-CG 3.28Å; S189-L192 WeakPolarHBondContact O-CG 3.22Å; S189-R195 WeakPolarHBondContact O-CD 3.37Å
190E90.3Very high91.4Very high131 Ų13161.4 Ų61.461%0.61231%0.314SS*.G310 helixtrans-71.3-23.5173.6-64.8177169.800112.6S188 R195S188-E190 PolarHBondContact O-N 2.75Å; S188-E190 VanDerWaalsContact O-N 3.1Å; S188-E190 PolarHBondContact OG-N 3.5Å; E190-R195 VanDerWaalsContact O-CB 3.29Å; E190-R195 WeakPolarHBondContact O-CB 3.23Å
191L93Very high90.9Very high18 Ų1864.6 Ų64.69%0.09433%0.334CS..G310 helixtrans-103.518.2-174.6-61.6178.3000112.9L187 S188 S189 I196 L199 S216 A249 E252L187-L191 HydrophobicContact CD1-CB 3.77Å; L187-L191 HydrophobicContact CD1-CD1 3.61Å; L187-L191 HydrophobicContact CD1-CG 4.35Å; L187-L191 HydrophobicContact CD2-CB 4.01Å; L187-L191 WeakPolarHBondContact CD2-O 3.23Å; L187-L191 HydrophobicContact CG-CB 3.73Å; L187-L191 HydrophobicContact CG-CD1 4.4Å; S188-L191 PolarHBondContact O-N 3.02Å; S189-L191 VanDerWaalsContact C-N 3.27Å; L191-I196 HydrophobicContact CB-CD1 4.31Å; L191-I196 HydrophobicContact CD2-CD1 4.06Å; L191-I196 HydrophobicContact CD2-CG1 4.41Å; L191-L199 HydrophobicContact CD2-CD1 4.47Å; L191-S216 PolarHBondContact O-OG 3.47Å; L191-A249 HydrophobicContact CD2-CB 3.58Å; L191-E252 HydrophobicContact CD1-CB 3.5Å; L191-E252 VanDerWaalsContact CD1-CB 3.5Å; L191-E252 HydrophobicContact CD1-CG 3.99Å
192L93.5Very high90Very high49 Ų4967.5 Ų67.526%0.25736%0.361SS..SBendtrans-59.4152.4172.5-67173.8000111.4S189 H194 R195 I196 L220S189-L192 WeakPolarHBondContact O-CD1 3.49Å; S189-L192 VanDerWaalsContact O-CG 3.28Å; S189-L192 WeakPolarHBondContact O-CG 3.22Å; L192-H194 VanDerWaalsContact C-N 3.33Å; L192-H194 PolarHBondContact O-N 3.49Å; L192-H194 VanDerWaalsContact O-N 3.14Å; L192-R195 WeakPolarHBondContact O-CA 3.27Å; L192-R195 PolarHBondContact O-N 3.33Å; L192-I196 PolarHBondContact O-N 3.49Å; L192-L220 HydrophobicContact CD2-CD1 3.66Å; L192-L220 HydrophobicContact CD2-CD2 4.11Å
193P92.3Very high89.3Confident22 Ų2271.3 Ų71.314%0.14338%0.379CS..Hα-helixtrans-51.6-45.8-171.3-3135.4000114.4R195 I196 Y197 S213 S216 E217 L220P193-R195 VanDerWaalsContact C-N 3.31Å; P193-R195 PolarHBondContact O-N 3.47Å; P193-I196 WeakPolarHBondContact O-CG2 3.25Å; P193-Y197 WeakPolarHBondContact O-CB 3.37Å; P193-Y197 PolarHBondContact O-N 3.39Å; P193-Y197 VanDerWaalsContact O-N 3.15Å; P193-S213 WeakPolarHBondContact CB-OG 3.26Å; P193-S213 PolarHBondContact O-OG 3.03Å; P193-S216 VanDerWaalsContact CD-OG 3.25Å; P193-S216 WeakPolarHBondContact CD-OG 3.01Å; P193-E217 HydrophobicContact CB-CB 4.42Å; P193-E217 HydrophobicContact CG-CB 3.8Å; P193-L220 HydrophobicContact CG-CD1 4.03Å
194H91.2Very high88Confident123 Ų12379.8 Ų79.857%0.56942%0.419SS*.Hα-helixtrans-71.6-20.3179.961.7-79.5000114.4L192L192-H194 VanDerWaalsContact C-N 3.33Å; L192-H194 PolarHBondContact O-N 3.49Å; L192-H194 VanDerWaalsContact O-N 3.14Å
195R93.6Very high87.2Confident137 Ų13783.9 Ų83.952%0.51744%0.441SS..Hα-helixtrans-90-46.2177-70.1-179.3175.8-99.7-0.3111S189 E190 L192 P193 Y197 L198S189-R195 WeakPolarHBondContact O-CD 3.37Å; E190-R195 VanDerWaalsContact O-CB 3.29Å; E190-R195 WeakPolarHBondContact O-CB 3.23Å; L192-R195 WeakPolarHBondContact O-CA 3.27Å; L192-R195 PolarHBondContact O-N 3.33Å; P193-R195 VanDerWaalsContact C-N 3.31Å; P193-R195 PolarHBondContact O-N 3.47Å; R195-Y197 PolarHBondContact O-N 2.92Å; R195-L198 WeakPolarHBondContact O-CB 3.28Å; R195-L198 PolarHBondContact O-N 3.14Å
196I93Very high86.9Confident0 Ų082.7 Ų82.70%044%0.439CS..Hα-helixtrans-64.5-32-179.2-159.6165.9000111.9L191 L192 P193 L198 L199 W200 A212 A249 L253L191-I196 HydrophobicContact CB-CD1 4.31Å; L191-I196 HydrophobicContact CD2-CD1 4.06Å; L191-I196 HydrophobicContact CD2-CG1 4.41Å; L192-I196 PolarHBondContact O-N 3.49Å; P193-I196 WeakPolarHBondContact O-CG2 3.25Å; I196-L198 PolarHBondContact O-N 2.66Å; I196-L198 VanDerWaalsContact O-N 3.14Å; I196-L199 HydrophobicContact CG1-CD1 4.08Å; I196-L199 WeakPolarHBondContact O-CB 3.23Å; I196-L199 PolarHBondContact O-N 2.97Å; I196-W200 HydrophobicContact CG1-CZ3 3.98Å; I196-A212 HydrophobicContact CD1-CB 4.4Å; I196-A212 HydrophobicContact CG1-CB 4.17Å; I196-A212 HydrophobicContact CG2-CB 4.42Å; I196-A249 HydrophobicContact CD1-CB 4.12Å; I196-A249 HydrophobicContact CG1-CB 4.29Å; I196-L253 HydrophobicContact CD1-CD1 3.46Å; I196-L253 VanDerWaalsContact CD1-CD1 3.46Å; I196-L253 HydrophobicContact CD1-CD2 3.8Å; I196-L253 HydrophobicContact CD1-CG 3.68Å
197Y91.3Very high86.8Confident95 Ų9580.6 Ų80.637%0.37343%0.427SS..G310 helixtrans-54.2-31.3172.1-171.5-84.5000112.5P193 R195 L199 P209P193-Y197 WeakPolarHBondContact O-CB 3.37Å; P193-Y197 PolarHBondContact O-N 3.39Å; P193-Y197 VanDerWaalsContact O-N 3.15Å; R195-Y197 PolarHBondContact O-N 2.92Å; Y197-L199 VanDerWaalsContact C-N 3.33Å; Y197-P209 HydrophobicContact CD1-CB 4.36Å; Y197-P209 HydrophobicContact CD2-CB 3.88Å; Y197-P209 WeakPolarHBondContact CD2-O 3.36Å; Y197-P209 HydrophobicContact CE1-CB 4.32Å; Y197-P209 HydrophobicContact CE2-CB 3.84Å; Y197-P209 HydrophobicContact CE2-CG 4.4Å; Y197-P209 HydrophobicContact CG-CB 4.14Å; Y197-P209 WeakPolarHBondContact O-CB 3.36Å
198L91.9Very high86.9Confident139 Ų13981.6 Ų81.673%0.72843%0.432SS*.G310 helixtrans-79.9-12.6-178.1-57.2174.5000113.6R195 I196 W200R195-L198 WeakPolarHBondContact O-CB 3.28Å; R195-L198 PolarHBondContact O-N 3.14Å; I196-L198 PolarHBondContact O-N 2.66Å; I196-L198 VanDerWaalsContact O-N 3.14Å; L198-W200 VanDerWaalsContact C-N 3.34Å
199L91.2Very high87Confident46 Ų4679.2 Ų79.224%0.24142%0.415CS..G310 helixtrans-75-25-179-63.4-176.9000112.7L191 I196 Y197 D245 Q246 A249L191-L199 HydrophobicContact CD2-CD1 4.47Å; I196-L199 HydrophobicContact CG1-CD1 4.08Å; I196-L199 WeakPolarHBondContact O-CB 3.23Å; I196-L199 PolarHBondContact O-N 2.97Å; Y197-L199 VanDerWaalsContact C-N 3.33Å; L199-D245 HydrophobicContact CD2-CB 3.91Å; L199-Q246 HydrophobicContact CB-CG 4.31Å; L199-Q246 WeakPolarHBondContact O-CG 3.29Å; L199-Q246 PolarHBondContact O-NE2 2.87Å; L199-A249 HydrophobicContact CD1-CB 3.47Å; L199-A249 VanDerWaalsContact CD1-CB 3.47Å
200W88.2Confident87Confident19 Ų1978 Ų787%0.07240%0.404CS..SBendtrans-107.2129.7175.3-75.5-88000110.2I196 L198 A202 L208 P209 A212 L235 Q246 A249I196-W200 HydrophobicContact CG1-CZ3 3.98Å; L198-W200 VanDerWaalsContact C-N 3.34Å; W200-A202 PolarHBondContact O-N 3.4Å; W200-L208 HydrophobicContact CB-CB 4.24Å; W200-L208 HydrophobicContact CD2-CB 4.45Å; W200-L208 HydrophobicContact CG-CB 3.89Å; W200-P209 HydrophobicContact CB-CB 4.08Å; W200-P209 HydrophobicContact CB-CG 4.46Å; W200-A212 HydrophobicContact CE3-CB 3.82Å; W200-A212 HydrophobicContact CH2-CB 4.32Å; W200-A212 HydrophobicContact CZ3-CB 3.56Å; W200-L235 HydrophobicContact CD2-CD2 4.35Å; W200-L235 HydrophobicContact CH2-CD2 4Å; W200-L235 HydrophobicContact CZ2-CD2 3.79Å; W200-L235 HydrophobicContact CZ3-CD2 4.35Å; W200-Q246 HydrophobicContact CD2-CG 4.36Å; W200-Q246 HydrophobicContact CZ2-CB 4.08Å; W200-Q246 HydrophobicContact CZ2-CG 4.18Å; W200-A249 HydrophobicContact CH2-CB 4.09Å; W200-A249 HydrophobicContact CZ3-CB 4.4Å
201P80Confident87.1Confident78 Ų7872.6 Ų72.651%0.50638%0.38SS..  trans-61.9135.3175.126-32.3000109.9E203P201-E203 VanDerWaalsContact C-N 3.27Å; P201-E203 HydrophobicContact CB-CG 4.48Å; P201-E203 HydrophobicContact CG-CG 4.48Å; P201-E203 PolarHBondContact O-N 2.99Å
202A74.4Confident87.1Confident77 Ų7771.7 Ų71.764%0.63638%0.375SS*.  trans-73.984.1171.700000109.2W200W200-A202 PolarHBondContact O-N 3.4Å
203E77.3Confident87.1Confident133 Ų13370.5 Ų70.562%0.62137%0.371SS*.  trans-83.7148167.2-62.2-176.417800109.6P201 N205 S206P201-E203 VanDerWaalsContact C-N 3.27Å; P201-E203 HydrophobicContact CB-CG 4.48Å; P201-E203 HydrophobicContact CG-CG 4.48Å; P201-E203 PolarHBondContact O-N 2.99Å; E203-N205 PolarHBondContact O-N 3.43Å; E203-S206 PolarHBondContact O-N 3.13Å
204E66.6Low87Confident201 Ų20174.5 Ų74.594%0.93939%0.388SS*.THydrogen-bonded Turntrans-53.2-23.4-172.9-69.4-175168.700114.5
205N72.9Confident87.1Confident166 Ų16668.9 Ų68.989%0.88836%0.362SS*.THydrogen-bonded Turntrans-1187.2-178.7-65.6-39.8000114.6E203E203-N205 PolarHBondContact O-N 3.43Å
206S83.7Confident87.1Confident32 Ų3262.4 Ų62.422%0.22434%0.337CS..  trans-91.5115.5-178.5-176.20000111.3E203 L208E203-S206 PolarHBondContact O-N 3.13Å; S206-L208 VanDerWaalsContact C-N 3.3Å; S206-L208 PolarHBondContact OG-N 3.21Å
207S88.6Confident87.1Confident68 Ų6866.8 Ų66.848%0.47636%0.358SS..  trans-82.8-6.4170.557.90000113.3T210 L211S207-T210 PolarHBondContact O-N 3.06Å; S207-L211 WeakPolarHBondContact O-CB 3.26Å; S207-L211 VanDerWaalsContact O-CG 3.25Å; S207-L211 WeakPolarHBondContact O-CG 3.12Å; S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 WeakPolarHBondContact OG-CD1 3.5Å
208L90.9Very high87Confident42 Ų4263.2 Ų63.222%0.2235%0.346CS..Hα-helixtrans-56.9-49-174.3-59.7178.4000114.6W200 S206 T210 L211 A212 P234 L235W200-L208 HydrophobicContact CB-CB 4.24Å; W200-L208 HydrophobicContact CD2-CB 4.45Å; W200-L208 HydrophobicContact CG-CB 3.89Å; S206-L208 VanDerWaalsContact C-N 3.3Å; S206-L208 PolarHBondContact OG-N 3.21Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 2.83Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-A212 WeakPolarHBondContact O-CB 3.4Å; L208-A212 PolarHBondContact O-N 3.44Å; L208-P234 HydrophobicContact CD2-CB 3.76Å; L208-L235 HydrophobicContact CB-CD2 4.11Å; L208-L235 HydrophobicContact CD2-CD2 4.01Å; L208-L235 HydrophobicContact CD2-CG 4.32Å
209P92.2Very high87Confident2 Ų257.9 Ų57.91%0.01332%0.318CS..Hα-helixtrans-63.1-38.4-178.624.1-33.5000112Y197 W200 S213Y197-P209 HydrophobicContact CD1-CB 4.36Å; Y197-P209 HydrophobicContact CD2-CB 3.88Å; Y197-P209 WeakPolarHBondContact CD2-O 3.36Å; Y197-P209 HydrophobicContact CE1-CB 4.32Å; Y197-P209 HydrophobicContact CE2-CB 3.84Å; Y197-P209 HydrophobicContact CE2-CG 4.4Å; Y197-P209 HydrophobicContact CG-CB 4.14Å; Y197-P209 WeakPolarHBondContact O-CB 3.36Å; W200-P209 HydrophobicContact CB-CB 4.08Å; W200-P209 HydrophobicContact CB-CG 4.46Å; P209-S213 WeakPolarHBondContact O-CB 3.46Å; P209-S213 PolarHBondContact O-N 3.33Å
210T91.4Very high86.9Confident59 Ų5959.5 Ų59.536%0.36233%0.326SS..Hα-helixtrans-65.6-49.1175.6-52.40000111.1S207 L208 A212 S213 E214S207-T210 PolarHBondContact O-N 3.06Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 2.83Å; T210-A212 VanDerWaalsContact C-N 3.32Å; T210-A212 PolarHBondContact O-N 3.33Å; T210-S213 PolarHBondContact O-N 2.95Å; T210-E214 HydrophobicContact CG2-CG 4.37Å; T210-E214 WeakPolarHBondContact CG2-OE1 3.33Å; T210-E214 WeakPolarHBondContact O-CB 3.43Å; T210-E214 WeakPolarHBondContact O-CG 3.34Å; T210-E214 PolarHBondContact O-N 3.49Å
211L92Very high86.8Confident18 Ų1863.2 Ų63.29%0.09434%0.344CS..Hα-helixtrans-59-42.6178.1-71.6168.1000112S207 L208 L215 A231 L235S207-L211 WeakPolarHBondContact O-CB 3.26Å; S207-L211 VanDerWaalsContact O-CG 3.25Å; S207-L211 WeakPolarHBondContact O-CG 3.12Å; S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 WeakPolarHBondContact OG-CD1 3.5Å; L208-L211 PolarHBondContact O-N 3.47Å; L211-L215 VanDerWaalsContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CB 3.4Å; L211-L215 PolarHBondContact O-N 2.9Å; L211-A231 WeakPolarHBondContact CD1-O 3.5Å; L211-A231 HydrophobicContact CD2-CB 4.16Å; L211-L235 HydrophobicContact CB-CD1 4Å; L211-L235 HydrophobicContact CB-CG 4.4Å
212A92.8Very high86.5Confident0 Ų066.4 Ų66.40%035%0.353CS..Hα-helixtrans-65.8-41.7178.600000111.8I196 W200 L208 T210 S216 L235 L253I196-A212 HydrophobicContact CD1-CB 4.4Å; I196-A212 HydrophobicContact CG1-CB 4.17Å; I196-A212 HydrophobicContact CG2-CB 4.42Å; W200-A212 HydrophobicContact CE3-CB 3.82Å; W200-A212 HydrophobicContact CH2-CB 4.32Å; W200-A212 HydrophobicContact CZ3-CB 3.56Å; L208-A212 WeakPolarHBondContact O-CB 3.4Å; L208-A212 PolarHBondContact O-N 3.44Å; T210-A212 VanDerWaalsContact C-N 3.32Å; T210-A212 PolarHBondContact O-N 3.33Å; A212-S216 VanDerWaalsContact O-CB 3.28Å; A212-S216 WeakPolarHBondContact O-CB 3.43Å; A212-S216 PolarHBondContact O-N 3.03Å; A212-L235 HydrophobicContact CB-CD1 4.15Å; A212-L235 HydrophobicContact CB-CD2 3.9Å; A212-L253 HydrophobicContact CB-CD1 4.25Å
213S92.9Very high86.7Confident24 Ų2470.5 Ų70.517%0.16836%0.364CS..Hα-helixtrans-65-45.9176.6-177.70000111.9P193 P209 T210 S216 E217P193-S213 WeakPolarHBondContact CB-OG 3.26Å; P193-S213 PolarHBondContact O-OG 3.03Å; P209-S213 WeakPolarHBondContact O-CB 3.46Å; P209-S213 PolarHBondContact O-N 3.33Å; T210-S213 PolarHBondContact O-N 2.95Å; S213-S216 PolarHBondContact O-N 3.27Å; S213-E217 WeakPolarHBondContact O-CB 3.44Å; S213-E217 PolarHBondContact O-N 3.49Å
214E91.6Very high86.7Confident106 Ų10668 Ų6850%0.49535%0.353SS..Hα-helixtrans-62.9-45.2177.5-74.2178-179.200111.4T210 S216 E217 V218T210-E214 HydrophobicContact CG2-CG 4.37Å; T210-E214 WeakPolarHBondContact CG2-OE1 3.33Å; T210-E214 WeakPolarHBondContact O-CB 3.43Å; T210-E214 WeakPolarHBondContact O-CG 3.34Å; T210-E214 PolarHBondContact O-N 3.49Å; E214-S216 PolarHBondContact O-N 2.89Å; E214-E217 PolarHBondContact O-N 3.28Å; E214-V218 VanDerWaalsContact O-CG2 3.3Å; E214-V218 WeakPolarHBondContact O-CG2 3.47Å; E214-V218 PolarHBondContact O-N 3.43Å
215L92.2Very high87.3Confident5 Ų565.1 Ų65.13%0.02634%0.34CS..Hα-helixtrans-63-44.8177.5-175.255.5000111L211 E217 V218 L219 V226 C232 L253 A257L211-L215 VanDerWaalsContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CB 3.4Å; L211-L215 PolarHBondContact O-N 2.9Å; L215-E217 VanDerWaalsContact C-N 3.31Å; L215-E217 PolarHBondContact O-N 3.21Å; L215-V218 PolarHBondContact O-N 3.34Å; L215-L219 HydrophobicContact CD1-CD1 4.38Å; L215-L219 HydrophobicContact CD1-CG 4.36Å; L215-L219 HydrophobicContact CG-CD1 4.16Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 3.06Å; L215-V226 HydrophobicContact CD1-CG1 3.87Å; L215-C232 HydrophobicContact CD2-CB 4.18Å; L215-L253 HydrophobicContact CD2-CB 3.92Å; L215-L253 HydrophobicContact CD2-CD1 4.19Å; L215-L253 HydrophobicContact CG-CB 4.41Å; L215-L253 HydrophobicContact CG-CD2 4.38Å; L215-A257 HydrophobicContact CD1-CB 4.08Å
216S93.8Very high87.5Confident0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-56.6-44.6173.4175.60000112L187 L191 P193 A212 S213 E214 V218 L219 L220L187-S216 WeakPolarHBondContact CD2-OG 3.41Å; L191-S216 PolarHBondContact O-OG 3.47Å; P193-S216 VanDerWaalsContact CD-OG 3.25Å; P193-S216 WeakPolarHBondContact CD-OG 3.01Å; A212-S216 VanDerWaalsContact O-CB 3.28Å; A212-S216 WeakPolarHBondContact O-CB 3.43Å; A212-S216 PolarHBondContact O-N 3.03Å; S213-S216 PolarHBondContact O-N 3.27Å; E214-S216 PolarHBondContact O-N 2.89Å; S216-V218 PolarHBondContact O-N 3.2Å; S216-L219 PolarHBondContact O-N 2.81Å; S216-L220 WeakPolarHBondContact O-CG 3.45Å; S216-L220 PolarHBondContact O-N 3.49Å; S216-L220 VanDerWaalsContact O-N 3.14Å
217E92.5Very high86.9Confident92 Ų9262.8 Ų62.843%0.4332%0.318SS..Hα-helixtrans-64.6-42.4-179.5-175.5169.4-16400112P193 S213 E214 L215 L219 L220 H221P193-E217 HydrophobicContact CB-CB 4.42Å; P193-E217 HydrophobicContact CG-CB 3.8Å; S213-E217 WeakPolarHBondContact O-CB 3.44Å; S213-E217 PolarHBondContact O-N 3.49Å; E214-E217 PolarHBondContact O-N 3.28Å; L215-E217 VanDerWaalsContact C-N 3.31Å; L215-E217 PolarHBondContact O-N 3.21Å; E217-L219 VanDerWaalsContact C-N 3.31Å; E217-L219 PolarHBondContact O-N 3.47Å; E217-L220 PolarHBondContact O-N 3.25Å; E217-H221 PolarHBondContact O-ND1 2.66Å
218V90.9Very high85.8Confident20 Ų2068.5 Ų68.512%0.12133%0.331CS..Hα-helixtrans-61.8-40.3174.7172.50000111.1E214 L215 S216 L220 H221 M224 V226 K260E214-V218 VanDerWaalsContact O-CG2 3.3Å; E214-V218 WeakPolarHBondContact O-CG2 3.47Å; E214-V218 PolarHBondContact O-N 3.43Å; L215-V218 PolarHBondContact O-N 3.34Å; S216-V218 PolarHBondContact O-N 3.2Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 3.48Å; V218-H221 PolarHBondContact O-N 3.25Å; V218-H221 VanDerWaalsContact O-O 3.1Å; V218-M224 HydrophobicContact CB-CB 4.43Å; V218-M224 HydrophobicContact CG1-CB 4.01Å; V218-M224 HydrophobicContact CG2-CE 3.89Å; V218-V226 HydrophobicContact CG1-CB 4.25Å; V218-V226 HydrophobicContact CG1-CG2 3.63Å; V218-K260 PolarHBondContact O-NZ 2.75Å
219L91.4Very high84.5Confident28 Ų2867 Ų6715%0.14733%0.325CS..Hα-helixtrans-70.3-28.1-178.1-68.3173.5000113.3L215 S216 E217 H221 L253 L256 A257 K260L215-L219 HydrophobicContact CD1-CD1 4.38Å; L215-L219 HydrophobicContact CD1-CG 4.36Å; L215-L219 HydrophobicContact CG-CD1 4.16Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 3.06Å; S216-L219 PolarHBondContact O-N 2.81Å; E217-L219 VanDerWaalsContact C-N 3.31Å; E217-L219 PolarHBondContact O-N 3.47Å; L219-H221 VanDerWaalsContact C-N 3.31Å; L219-H221 PolarHBondContact O-N 3.27Å; L219-L253 HydrophobicContact CD1-CB 4.46Å; L219-L253 HydrophobicContact CD1-CD2 3.79Å; L219-L253 WeakPolarHBondContact CD1-O 3.41Å; L219-L256 HydrophobicContact CD1-CB 4.04Å; L219-L256 HydrophobicContact CD2-CB 3.99Å; L219-A257 HydrophobicContact CD2-CB 4.28Å; L219-K260 HydrophobicContact CD2-CB 4.48Å; L219-K260 HydrophobicContact CD2-CD 4.19Å
220L89.1Confident83.5Confident79 Ų7972.9 Ų72.941%0.41435%0.352SS..Hα-helixtrans-73.9-20.2176.8-70.4171.5000113.9L187 L192 P193 S216 E217 V218L187-L220 HydrophobicContact CB-CD2 4.5Å; L192-L220 HydrophobicContact CD2-CD1 3.66Å; L192-L220 HydrophobicContact CD2-CD2 4.11Å; P193-L220 HydrophobicContact CG-CD1 4.03Å; S216-L220 WeakPolarHBondContact O-CG 3.45Å; S216-L220 PolarHBondContact O-N 3.49Å; S216-L220 VanDerWaalsContact O-N 3.14Å; E217-L220 PolarHBondContact O-N 3.25Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 3.48Å
221H85.4Confident83.1Confident97 Ų9772.4 Ų72.445%0.44935%0.354SS..  trans-113.9116.3-174.1-66.492.9000111.3E217 V218 L219 N223 M224 K260E217-H221 PolarHBondContact O-ND1 2.66Å; V218-H221 PolarHBondContact O-N 3.25Å; V218-H221 VanDerWaalsContact O-O 3.1Å; L219-H221 VanDerWaalsContact C-N 3.31Å; L219-H221 PolarHBondContact O-N 3.27Å; H221-N223 VanDerWaalsContact C-N 3.29Å; H221-N223 PolarHBondContact O-N 3.29Å; H221-M224 HydrophobicContact CB-CB 4.11Å; H221-M224 HydrophobicContact CB-CG 3.6Å; H221-M224 PolarHBondContact O-N 2.78Å; H221-K260 PolarHBondContact O-NZ 3.15Å
222E74.2Confident82.9Confident146 Ų14672 Ų7268%0.68235%0.353SS*.THydrogen-bonded Turntrans-54.8-41.1-177.3-65.9-176.6170.500113.4M224E222-M224 VanDerWaalsContact C-N 3.31Å; E222-M224 PolarHBondContact O-N 2.6Å
223N77.6Confident82.7Confident162 Ų16272 Ų7287%0.86635%0.353SS*.THydrogen-bonded Turntrans-82.8-0.5-173.5-62.8-32.7000114.9H221H221-N223 VanDerWaalsContact C-N 3.29Å; H221-N223 PolarHBondContact O-N 3.29Å
224M78.8Confident82.6Confident81 Ų8172.8 Ų72.840%0.39936%0.357SS..  trans-90.9118.9-179.8-70.8-96.1-7700110.1V218 H221 E222 K260V218-M224 HydrophobicContact CB-CB 4.43Å; V218-M224 HydrophobicContact CG1-CB 4.01Å; V218-M224 HydrophobicContact CG2-CE 3.89Å; H221-M224 HydrophobicContact CB-CB 4.11Å; H221-M224 HydrophobicContact CB-CG 3.6Å; H221-M224 PolarHBondContact O-N 2.78Å; E222-M224 VanDerWaalsContact C-N 3.31Å; E222-M224 PolarHBondContact O-N 2.6Å; M224-K260 VanDerWaalsContact O-CE 3.28Å; M224-K260 WeakPolarHBondContact O-CE 3.09Å; M224-K260 PolarHBondContact O-NZ 3.25Å
225E78.3Confident82.6Confident141 Ų14167.9 Ų67.966%0.65933%0.334SS*.  trans-71.6140.2171.5-68176.6165.700110.6K227E225-K227 HydrophobicContact CB-CG 4.15Å; E225-K227 PolarHBondContact O-N 3.49Å; E225-K227 WeakPolarHBondContact OE2-CE 3.42Å; E225-K227 IonicContact OE2-NZ 2.72Å
226V76.7Confident82.6Confident14 Ų1467.8 Ų67.89%0.08533%0.334CS..  trans-76.779.6171.4-169.20000108.8L215 V218 A229 K260 I264L215-V226 HydrophobicContact CD1-CG1 3.87Å; V218-V226 HydrophobicContact CG1-CB 4.25Å; V218-V226 HydrophobicContact CG1-CG2 3.63Å; V226-A229 HydrophobicContact CG1-CB 4.19Å; V226-K260 HydrophobicContact CG2-CD 4.15Å; V226-I264 HydrophobicContact CB-CD1 3.86Å; V226-I264 HydrophobicContact CG1-CD1 3.56Å; V226-I264 HydrophobicContact CG2-CD1 4.23Å
227K71.4Confident82.4Confident134 Ų13470.3 Ų70.358%0.58336%0.355SS*.THydrogen-bonded Turntrans-74.2139.7174.4-62.1-175.3-179.6-1800109.2E225E225-K227 HydrophobicContact CB-CG 4.15Å; E225-K227 PolarHBondContact O-N 3.49Å; E225-K227 WeakPolarHBondContact OE2-CE 3.42Å; E225-K227 IonicContact OE2-NZ 2.72Å
228Y65.3Low82.3Confident188 Ų18866.8 Ų66.874%0.73734%0.339SS*.THydrogen-bonded Turntrans65.738.8174.2-40.2-75.2000115.7E230 A231Y228-E230 PolarHBondContact O-N 2.97Å; Y228-A231 WeakPolarHBondContact O-CA 3.33Å; Y228-A231 WeakPolarHBondContact O-CB 3.49Å; Y228-A231 PolarHBondContact O-N 3.32Å
229A64.7Low82.2Confident11 Ų1169.7 Ų69.79%0.09135%0.354CS..Hα-helixtrans-56-26.9177.400000114.2V226 A231 C232 S233 I264V226-A229 HydrophobicContact CG1-CB 4.19Å; A229-A231 VanDerWaalsContact C-N 3.25Å; A229-A231 PolarHBondContact O-N 3.33Å; A229-C232 WeakPolarHBondContact O-CB 3.35Å; A229-C232 PolarHBondContact O-N 2.9Å; A229-S233 PolarHBondContact O-N 2.92Å; A229-I264 HydrophobicContact CB-CB 3.9Å; A229-I264 HydrophobicContact CB-CD1 3.58Å; A229-I264 HydrophobicContact CB-CG1 3.35Å; A229-I264 HydrophobicContact CB-CG2 3.57Å
230E70.6Confident81.9Confident126 Ų12674.3 Ų74.359%0.58937%0.374SS*.Hα-helixtrans-55.6-37.9168.8-74.4174.7-17100113.1Y228 C232 S233 S267Y228-E230 PolarHBondContact O-N 2.97Å; E230-C232 PolarHBondContact O-N 2.99Å; E230-S233 VanDerWaalsContact O-CB 3.22Å; E230-S233 WeakPolarHBondContact O-CB 3.44Å; E230-S233 PolarHBondContact O-N 3.21Å; E230-S267 VanDerWaalsContact CG-CB 3.48Å; E230-S267 WeakPolarHBondContact CG-OG 3.24Å; E230-S267 PolarHBondContact OE1-OG 3.26Å
231A83.9Confident81.7Confident48 Ų4877.8 Ų77.840%0.39739%0.393SS..Hα-helixtrans-67.7-25.9176.200000112.2L211 Y228 A229 P234L211-A231 WeakPolarHBondContact CD1-O 3.5Å; L211-A231 HydrophobicContact CD2-CB 4.16Å; Y228-A231 WeakPolarHBondContact O-CA 3.33Å; Y228-A231 WeakPolarHBondContact O-CB 3.49Å; Y228-A231 PolarHBondContact O-N 3.32Å; A229-A231 VanDerWaalsContact C-N 3.25Å; A229-A231 PolarHBondContact O-N 3.33Å; A231-P234 WeakPolarHBondContact O-CD 3.26Å
232C86.1Confident81.8Confident10 Ų1073.8 Ų73.87%0.06838%0.375CS..Hα-helixtrans-83.6-17.5176.4-64.80000113.2L215 A229 E230 P234 L235 F254L215-C232 HydrophobicContact CD2-CB 4.18Å; A229-C232 WeakPolarHBondContact O-CB 3.35Å; A229-C232 PolarHBondContact O-N 2.9Å; E230-C232 PolarHBondContact O-N 2.99Å; C232-P234 VanDerWaalsContact C-N 3.27Å; C232-P234 WeakPolarHBondContact O-CD 3.26Å; C232-P234 VanDerWaalsContact O-N 3.1Å; C232-L235 HydrophobicContact CB-CD1 4.31Å; C232-L235 VanDerWaalsContact O-CB 3.26Å; C232-L235 WeakPolarHBondContact O-CB 3.37Å; C232-L235 PolarHBondContact O-N 2.93Å; C232-F254 HydrophobicContact CB-CZ 4.06Å; C232-F254 WeakPolarHBondContact O-CZ 3.31Å
233S89.1Confident82.5Confident1 Ų169.8 Ų69.81%0.00736%0.36CS..G310 helixtrans-47.7-36178.6-178.80000115.5A229 E230 L235 L236 D271 R273 P275A229-S233 PolarHBondContact O-N 2.92Å; E230-S233 VanDerWaalsContact O-CB 3.22Å; E230-S233 WeakPolarHBondContact O-CB 3.44Å; E230-S233 PolarHBondContact O-N 3.21Å; S233-L235 PolarHBondContact O-N 2.84Å; S233-L235 VanDerWaalsContact O-N 3.16Å; S233-L236 PolarHBondContact O-N 2.9Å; S233-D271 WeakPolarHBondContact CB-OD2 3.27Å; S233-D271 PolarHBondContact OG-OD2 3.47Å; S233-R273 VanDerWaalsContact CB-NH2 3.3Å; S233-R273 PolarHBondContact OG-NH2 2.89Å; S233-R273 VanDerWaalsContact OG-NH2 3.11Å; S233-P275 WeakPolarHBondContact OG-CG 3.46Å
234P90.4Very high83.1Confident39 Ų3962.2 Ų62.225%0.25332%0.32SS..G310 helixtrans-54.2-28.7171.3-2130.3000115.3L208 A231 C232 L236 A237L208-P234 HydrophobicContact CD2-CB 3.76Å; A231-P234 WeakPolarHBondContact O-CD 3.26Å; C232-P234 VanDerWaalsContact C-N 3.27Å; C232-P234 WeakPolarHBondContact O-CD 3.26Å; C232-P234 VanDerWaalsContact O-N 3.1Å; P234-L236 PolarHBondContact O-N 2.78Å; P234-A237 WeakPolarHBondContact O-CB 3.2Å; P234-A237 PolarHBondContact O-N 3.28Å
235L91.7Very high83.6Confident4 Ų462.5 Ų62.52%0.02132%0.323CS..G310 helixtrans-65.7-27.8176.5-70.2167000112.5W200 L208 L211 A212 C232 S233 A237 A250 F254W200-L235 HydrophobicContact CD2-CD2 4.35Å; W200-L235 HydrophobicContact CH2-CD2 4Å; W200-L235 HydrophobicContact CZ2-CD2 3.79Å; W200-L235 HydrophobicContact CZ3-CD2 4.35Å; L208-L235 HydrophobicContact CB-CD2 4.11Å; L208-L235 HydrophobicContact CD2-CD2 4.01Å; L208-L235 HydrophobicContact CD2-CG 4.32Å; L211-L235 HydrophobicContact CB-CD1 4Å; L211-L235 HydrophobicContact CB-CG 4.4Å; A212-L235 HydrophobicContact CB-CD1 4.15Å; A212-L235 HydrophobicContact CB-CD2 3.9Å; C232-L235 HydrophobicContact CB-CD1 4.31Å; C232-L235 VanDerWaalsContact O-CB 3.26Å; C232-L235 WeakPolarHBondContact O-CB 3.37Å; C232-L235 PolarHBondContact O-N 2.93Å; S233-L235 PolarHBondContact O-N 2.84Å; S233-L235 VanDerWaalsContact O-N 3.16Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A250 WeakPolarHBondContact O-CB 3.25Å; L235-F254 HydrophobicContact CB-CE2 3.93Å
236L92.4Very high84.3Confident2 Ų256.9 Ų56.91%0.0130%0.297CS..G310 helixtrans-90.32.8177.6-162.263.1000112.5S233 P234 L238 F254 L268 P275 L279 L302S233-L236 PolarHBondContact O-N 2.9Å; P234-L236 PolarHBondContact O-N 2.78Å; L236-L238 PolarHBondContact O-N 3.18Å; L236-F254 HydrophobicContact CB-CD2 3.98Å; L236-F254 HydrophobicContact CB-CE2 3.69Å; L236-F254 HydrophobicContact CB-CZ 4.11Å; L236-F254 HydrophobicContact CD1-CD2 4.01Å; L236-F254 HydrophobicContact CD1-CG 4.39Å; L236-F254 HydrophobicContact CD2-CD1 4.47Å; L236-F254 HydrophobicContact CD2-CD2 4.42Å; L236-F254 HydrophobicContact CD2-CG 4.31Å; L236-F254 HydrophobicContact CG-CD2 4.36Å; L236-L268 HydrophobicContact CD2-CD1 4.34Å; L236-L268 HydrophobicContact CD2-CD2 4.28Å; L236-P275 HydrophobicContact CB-CB 4.13Å; L236-P275 HydrophobicContact CG-CB 4.3Å; L236-P275 WeakPolarHBondContact O-CB 3.31Å; L236-L279 HydrophobicContact CD1-CD1 4.19Å; L236-L302 HydrophobicContact CD1-CD2 3.77Å
237A90.3Very high85Confident54 Ų5456.2 Ų56.245%0.44629%0.293SS..  trans-79.164.8174.500000110.6P234 L235P234-A237 WeakPolarHBondContact O-CB 3.2Å; P234-A237 PolarHBondContact O-N 3.28Å; L235-A237 VanDerWaalsContact C-N 3.34Å
238L90.8Very high86.1Confident18 Ų1853 Ų539%0.09428%0.277CS..  trans-67.6141.8179.7-41.9179.2000110.3L236 I242 A250 L279 V282L236-L238 PolarHBondContact O-N 3.18Å; L238-I242 HydrophobicContact CB-CD1 4.17Å; L238-I242 HydrophobicContact CD2-CD1 3.28Å; L238-I242 HydrophobicContact CG-CD1 4.26Å; L238-A250 HydrophobicContact CD2-CB 3.89Å; L238-L279 HydrophobicContact CD1-CD1 3.66Å; L238-V282 HydrophobicContact CB-CG1 4.32Å; L238-V282 HydrophobicContact CB-CG2 4.04Å; L238-V282 HydrophobicContact CD1-CG1 4.4Å; L238-V282 VanDerWaalsContact O-CG2 3.31Å; L238-V282 WeakPolarHBondContact O-CG2 3.45Å
239D87.6Confident87.5Confident80 Ų8044 Ų4443%0.42824%0.242SC..  trans-147.7-174178.766.622.1000112.2L241 I242D239-L241 PolarHBondContact O-N 2.93Å; D239-L241 WeakPolarHBondContact OD1-CA 3.48Å; D239-L241 WeakPolarHBondContact OD1-CB 3.42Å; D239-L241 PolarHBondContact OD1-N 3.33Å; D239-I242 WeakPolarHBondContact O-CG2 3.43Å; D239-I242 PolarHBondContact O-N 3.49Å; D239-I242 PolarHBondContact OD1-N 3.41Å
240E85.1Confident88.9Confident125 Ų12543.5 Ų43.558%0.58424%0.237SC*.THydrogen-bonded Turntrans-67.9-10.9-177.6-65.2-177.6172.400114.1K283 P285E240-K283 HydrophobicContact CG-CB 4.11Å; E240-P285 WeakPolarHBondContact O-CG 3.4Å
241L85.1Confident90.1Very high153 Ų15337.5 Ų37.580%0.80121%0.209SC*.THydrogen-bonded Turntrans-100.8-5.9-177.9-60.3178000112.9D239D239-L241 PolarHBondContact O-N 2.93Å; D239-L241 WeakPolarHBondContact OD1-CA 3.48Å; D239-L241 WeakPolarHBondContact OD1-CB 3.42Å; D239-L241 PolarHBondContact OD1-N 3.33Å
242I88Confident90.7Very high13 Ų1336.2 Ų36.27%0.06720%0.195CC..  trans-70.9144-178.7-159.2170.4000111.9L238 D239 Q246 C247 I284 P285L238-I242 HydrophobicContact CB-CD1 4.17Å; L238-I242 HydrophobicContact CD2-CD1 3.28Å; L238-I242 HydrophobicContact CG-CD1 4.26Å; D239-I242 WeakPolarHBondContact O-CG2 3.43Å; D239-I242 PolarHBondContact O-N 3.49Å; D239-I242 PolarHBondContact OD1-N 3.41Å; I242-Q246 HydrophobicContact CD1-CB 3.91Å; I242-Q246 HydrophobicContact CG1-CB 3.46Å; I242-Q246 VanDerWaalsContact CG1-CB 3.46Å; I242-Q246 HydrophobicContact CG1-CG 4.47Å; I242-C247 HydrophobicContact CD1-CB 4.22Å; I242-C247 HydrophobicContact CG2-CB 4.37Å; I242-I284 HydrophobicContact CG2-CG2 4.29Å; I242-P285 WeakPolarHBondContact O-CD 3.17Å; I242-P285 WeakPolarHBondContact O-CG 3.46Å
243T89.3Confident91.1Very high61 Ų6135.8 Ų35.837%0.37419%0.192SC..  trans-80.8158.9172.571.50000112.1D245 Q246 C247T243-D245 PolarHBondContact O-N 3.14Å; T243-Q246 PolarHBondContact O-N 3.11Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.35Å; T243-Q246 VanDerWaalsContact OG1-CG 3.25Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.46Å; T243-Q246 PolarHBondContact OG1-N 3.32Å; T243-Q246 PolarHBondContact OG1-OE1 2.98Å; T243-C247 PolarHBondContact O-N 3.49Å
244S88.7Confident91.4Very high3 Ų335.8 Ų35.82%0.02119%0.192CC..Hα-helixtrans-49.3-46.6171.3-54.10000112.2C247 R248 E291S244-C247 PolarHBondContact O-N 3.07Å; S244-R248 WeakPolarHBondContact O-CG 3.49Å; S244-R248 PolarHBondContact O-N 2.89Å; S244-E291 WeakPolarHBondContact CB-OE2 3.33Å; S244-E291 PolarHBondContact OG-OE2 3.32Å
245D90.4Very high91.6Very high88 Ų8833.9 Ų33.947%0.47118%0.18SC..Hα-helixtrans-67.7-41.5-177.2-64-31.4000112L199 T243 R248 A249L199-D245 HydrophobicContact CD2-CB 3.91Å; T243-D245 PolarHBondContact O-N 3.14Å; D245-R248 PolarHBondContact O-N 3.04Å; D245-A249 WeakPolarHBondContact O-CB 3.22Å; D245-A249 PolarHBondContact O-N 2.85Å
246Q92.1Very high91.7Very high22 Ų2234.5 Ų34.510%0.10318%0.183CC..Hα-helixtrans-63.2-43175.8-75.8170.6-19.300111.3L199 W200 I242 T243 A249 A250L199-Q246 HydrophobicContact CB-CG 4.31Å; L199-Q246 WeakPolarHBondContact O-CG 3.29Å; L199-Q246 PolarHBondContact O-NE2 2.87Å; W200-Q246 HydrophobicContact CD2-CG 4.36Å; W200-Q246 HydrophobicContact CZ2-CB 4.08Å; W200-Q246 HydrophobicContact CZ2-CG 4.18Å; I242-Q246 HydrophobicContact CD1-CB 3.91Å; I242-Q246 HydrophobicContact CG1-CB 3.46Å; I242-Q246 VanDerWaalsContact CG1-CB 3.46Å; I242-Q246 HydrophobicContact CG1-CG 4.47Å; T243-Q246 PolarHBondContact O-N 3.11Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.35Å; T243-Q246 VanDerWaalsContact OG1-CG 3.25Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.46Å; T243-Q246 PolarHBondContact OG1-N 3.32Å; T243-Q246 PolarHBondContact OG1-OE1 2.98Å; Q246-A249 PolarHBondContact O-N 3.18Å; Q246-A250 VanDerWaalsContact O-CB 3.31Å; Q246-A250 WeakPolarHBondContact O-CB 3.07Å; Q246-A250 PolarHBondContact O-N 3.31Å
247C92.4Very high91.7Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-62.2-49176.9179.80000111.7I242 T243 S244 A250 C251 I284I242-C247 HydrophobicContact CD1-CB 4.22Å; I242-C247 HydrophobicContact CG2-CB 4.37Å; T243-C247 PolarHBondContact O-N 3.49Å; S244-C247 PolarHBondContact O-N 3.07Å; C247-A250 PolarHBondContact O-N 3.37Å; C247-C251 WeakPolarHBondContact O-CB 2.85Å; C247-C251 PolarHBondContact O-N 3.17Å; C247-C251 PolarHBondContact O-SG 2.9Å; C247-I284 HydrophobicContact CB-CG2 4.5Å
248R93.1Very high91.7Very high67 Ų6731.9 Ų31.925%0.25316%0.161SC..Hα-helixtrans-59.6-48.1177.1-72.6171.965.7146.27.6111.2S244 D245 A250 C251 E252 D294 I295S244-R248 WeakPolarHBondContact O-CG 3.49Å; S244-R248 PolarHBondContact O-N 2.89Å; D245-R248 PolarHBondContact O-N 3.04Å; R248-A250 PolarHBondContact O-N 3.38Å; R248-C251 PolarHBondContact O-N 3.16Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.47Å; R248-E252 PolarHBondContact O-N 3.13Å; R248-D294 IonicContact CZ-OD2 3.76Å; R248-D294 IonicContact NH1-OD2 2.74Å; R248-D294 PolarHBondContact NH1-OD2 3.27Å; R248-D294 IonicContact NH2-OD2 3.75Å; R248-I295 HydrophobicContact CG-CG1 4.2Å
249A94.8Very high91.7Very high0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-59.8-47.6178.900000112L191 I196 L199 W200 D245 Q246 C251 E252 L253L191-A249 HydrophobicContact CD2-CB 3.58Å; I196-A249 HydrophobicContact CD1-CB 4.12Å; I196-A249 HydrophobicContact CG1-CB 4.29Å; L199-A249 HydrophobicContact CD1-CB 3.47Å; L199-A249 VanDerWaalsContact CD1-CB 3.47Å; W200-A249 HydrophobicContact CH2-CB 4.09Å; W200-A249 HydrophobicContact CZ3-CB 4.4Å; D245-A249 WeakPolarHBondContact O-CB 3.22Å; D245-A249 PolarHBondContact O-N 2.85Å; Q246-A249 PolarHBondContact O-N 3.18Å; A249-C251 PolarHBondContact O-N 3.38Å; A249-E252 PolarHBondContact O-N 2.84Å; A249-L253 WeakPolarHBondContact O-CB 3.29Å; A249-L253 VanDerWaalsContact O-CG 3.27Å; A249-L253 WeakPolarHBondContact O-CG 3.29Å; A249-L253 PolarHBondContact O-N 2.67Å
250A95Very high91.7Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-59.6-47.6176.900000111.5L235 L238 Q246 C247 R248 E252 L253 F254L235-A250 WeakPolarHBondContact O-CB 3.25Å; L238-A250 HydrophobicContact CD2-CB 3.89Å; Q246-A250 VanDerWaalsContact O-CB 3.31Å; Q246-A250 WeakPolarHBondContact O-CB 3.07Å; Q246-A250 PolarHBondContact O-N 3.31Å; C247-A250 PolarHBondContact O-N 3.37Å; R248-A250 PolarHBondContact O-N 3.38Å; A250-E252 PolarHBondContact O-N 2.94Å; A250-L253 PolarHBondContact O-N 3.35Å; A250-F254 WeakPolarHBondContact O-CD2 3.43Å; A250-F254 PolarHBondContact O-N 3.33Å
251C95.9Very high91.8Very high0 Ų031.1 Ų31.10%015%0.151CC..Hα-helixtrans-62.2-44.6179.4-67.90000112.4C247 R248 A249 F254 R255 S298 L302C247-C251 WeakPolarHBondContact O-CB 2.85Å; C247-C251 PolarHBondContact O-N 3.17Å; C247-C251 PolarHBondContact O-SG 2.9Å; R248-C251 PolarHBondContact O-N 3.16Å; A249-C251 PolarHBondContact O-N 3.38Å; C251-F254 PolarHBondContact O-N 3.46Å; C251-R255 WeakPolarHBondContact O-CB 3.28Å; C251-R255 PolarHBondContact O-N 3.44Å; C251-S298 WeakPolarHBondContact CB-O 3.14Å; C251-L302 HydrophobicContact CB-CD2 4.4Å
252E95.6Very high91.9Very high21 Ų2126.2 Ų26.210%0.09813%0.128CC..Hα-helixtrans-67.3-41.6179.6-72.8-63.3144.900112.8L191 R248 A249 A250 R255 L256 S298 K301L191-E252 HydrophobicContact CD1-CB 3.5Å; L191-E252 VanDerWaalsContact CD1-CB 3.5Å; L191-E252 HydrophobicContact CD1-CG 3.99Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.47Å; R248-E252 PolarHBondContact O-N 3.13Å; A249-E252 PolarHBondContact O-N 2.84Å; A250-E252 PolarHBondContact O-N 2.94Å; E252-R255 PolarHBondContact O-N 3.12Å; E252-R255 IonicContact OE1-NE 3.19Å; E252-R255 IonicContact OE2-CZ 3.46Å; E252-R255 IonicContact OE2-NE 3.85Å; E252-R255 PolarHBondContact OE2-NE 3.25Å; E252-R255 IonicContact OE2-NH2 2.76Å; E252-R255 PolarHBondContact OE2-NH2 3.24Å; E252-L256 PolarHBondContact O-N 3.02Å; E252-S298 PolarHBondContact OE1-OG 3.43Å; E252-K301 IonicContact OE1-NZ 2.73Å
253L95Very high91.7Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-59.5-50.2173.8-75.3-179.7000110.9L187 I196 A212 L215 L219 A249 A250 R255 L256 A257L187-L253 HydrophobicContact CD1-CD2 4.28Å; L187-L253 HydrophobicContact CD2-CD2 4.27Å; I196-L253 HydrophobicContact CD1-CD1 3.46Å; I196-L253 VanDerWaalsContact CD1-CD1 3.46Å; I196-L253 HydrophobicContact CD1-CD2 3.8Å; I196-L253 HydrophobicContact CD1-CG 3.68Å; A212-L253 HydrophobicContact CB-CD1 4.25Å; L215-L253 HydrophobicContact CD2-CB 3.92Å; L215-L253 HydrophobicContact CD2-CD1 4.19Å; L215-L253 HydrophobicContact CG-CB 4.41Å; L215-L253 HydrophobicContact CG-CD2 4.38Å; L219-L253 HydrophobicContact CD1-CB 4.46Å; L219-L253 HydrophobicContact CD1-CD2 3.79Å; L219-L253 WeakPolarHBondContact CD1-O 3.41Å; A249-L253 WeakPolarHBondContact O-CB 3.29Å; A249-L253 VanDerWaalsContact O-CG 3.27Å; A249-L253 WeakPolarHBondContact O-CG 3.29Å; A249-L253 PolarHBondContact O-N 2.67Å; A250-L253 PolarHBondContact O-N 3.35Å; L253-R255 PolarHBondContact O-N 2.78Å; L253-L256 PolarHBondContact O-N 3.44Å; L253-A257 VanDerWaalsContact O-CB 3.27Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.49Å
254F95.3Very high91.5Very high1 Ų128.3 Ų28.30%0.00414%0.137CC..Hα-helixtrans-69.7-33-178.8-85.9-79.5000112.8C232 L235 L236 A250 C251 L256 A257 I258 L268 L302C232-F254 HydrophobicContact CB-CZ 4.06Å; C232-F254 WeakPolarHBondContact O-CZ 3.31Å; L235-F254 HydrophobicContact CB-CE2 3.93Å; L236-F254 HydrophobicContact CB-CD2 3.98Å; L236-F254 HydrophobicContact CB-CE2 3.69Å; L236-F254 HydrophobicContact CB-CZ 4.11Å; L236-F254 HydrophobicContact CD1-CD2 4.01Å; L236-F254 HydrophobicContact CD1-CG 4.39Å; L236-F254 HydrophobicContact CD2-CD1 4.47Å; L236-F254 HydrophobicContact CD2-CD2 4.42Å; L236-F254 HydrophobicContact CD2-CG 4.31Å; L236-F254 HydrophobicContact CG-CD2 4.36Å; A250-F254 WeakPolarHBondContact O-CD2 3.43Å; A250-F254 PolarHBondContact O-N 3.33Å; C251-F254 PolarHBondContact O-N 3.46Å; F254-L256 VanDerWaalsContact C-N 3.26Å; F254-L256 PolarHBondContact O-N 3.48Å; F254-A257 PolarHBondContact O-N 2.79Å; F254-I258 VanDerWaalsContact O-CG1 3.3Å; F254-I258 WeakPolarHBondContact O-CG1 3.17Å; F254-I258 WeakPolarHBondContact O-CG2 3.49Å; F254-I258 PolarHBondContact O-N 2.97Å; F254-L268 HydrophobicContact CD1-CD1 3.81Å; F254-L268 HydrophobicContact CE1-CD1 3.95Å; F254-L268 HydrophobicContact CE1-CD2 3.95Å; F254-L268 HydrophobicContact CE1-CG 4.45Å; F254-L302 HydrophobicContact CB-CD1 3.89Å; F254-L302 HydrophobicContact CB-CD2 3.81Å
255R95.1Very high91.5Very high0 Ų028.1 Ų28.10%014%0.136CC..Hα-helixtrans-55.3-45.5175.9176.1-173.468.274.8-4.4110.7F183 E185 C251 E252 L253 W259 K301 L302 N305F183-R255 VanDerWaalsContact C-NH1 3.33Å; F183-R255 HydrophobicContact CB-CG 4.26Å; F183-R255 PolarHBondContact O-NH1 3.38Å; E185-R255 PolarHBondContact O-NH1 3.37Å; E185-R255 PolarHBondContact O-NH2 2.92Å; E185-R255 IonicContact OE1-CZ 3.09Å; E185-R255 IonicContact OE1-NE 3.98Å; E185-R255 IonicContact OE1-NH1 3.82Å; E185-R255 IonicContact OE1-NH2 3.14Å; E185-R255 IonicContact OE2-CZ 2.8Å; E185-R255 IonicContact OE2-NH1 3.19Å; E185-R255 PolarHBondContact OE2-NH1 2.93Å; C251-R255 WeakPolarHBondContact O-CB 3.28Å; C251-R255 PolarHBondContact O-N 3.44Å; E252-R255 PolarHBondContact O-N 3.12Å; E252-R255 IonicContact OE1-NE 3.19Å; E252-R255 IonicContact OE2-CZ 3.46Å; E252-R255 IonicContact OE2-NE 3.85Å; E252-R255 PolarHBondContact OE2-NE 3.25Å; E252-R255 IonicContact OE2-NH2 2.76Å; E252-R255 PolarHBondContact OE2-NH2 3.24Å; L253-R255 PolarHBondContact O-N 2.78Å; R255-W259 WeakPolarHBondContact O-CB 3.49Å; R255-W259 PolarHBondContact O-N 3.44Å; R255-K301 HydrophobicContact CG-CB 4.42Å; R255-L302 HydrophobicContact CB-CB 4.4Å; R255-N305 WeakPolarHBondContact CG-ND2 3.38Å; R255-N305 PolarHBondContact O-ND2 2.87Å
256L93.2Very high91.2Very high16 Ų1627.2 Ų27.28%0.08413%0.13CC..Hα-helixtrans-81.3-34.4178.1-74.8177.5000113.2E185 L187 L219 E252 L253 F254 W259 K260E185-L256 WeakPolarHBondContact O-CD2 3.36Å; L187-L256 HydrophobicContact CB-CD1 3.8Å; L187-L256 HydrophobicContact CD1-CD1 4.08Å; L219-L256 HydrophobicContact CD1-CB 4.04Å; L219-L256 HydrophobicContact CD2-CB 3.99Å; E252-L256 PolarHBondContact O-N 3.02Å; L253-L256 PolarHBondContact O-N 3.44Å; F254-L256 VanDerWaalsContact C-N 3.26Å; F254-L256 PolarHBondContact O-N 3.48Å; L256-W259 PolarHBondContact O-N 2.88Å; L256-K260 WeakPolarHBondContact O-CB 3.44Å; L256-K260 PolarHBondContact O-N 2.67Å
257A92.7Very high90.9Very high1 Ų127.5 Ų27.51%0.00814%0.135CC..Hα-helixtrans-61.1-49.5177.700000111.7L215 L219 L253 F254 W259 K260 D261 I264L215-A257 HydrophobicContact CD1-CB 4.08Å; L219-A257 HydrophobicContact CD2-CB 4.28Å; L253-A257 VanDerWaalsContact O-CB 3.27Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.49Å; F254-A257 PolarHBondContact O-N 2.79Å; A257-W259 VanDerWaalsContact C-N 3.26Å; A257-W259 PolarHBondContact O-N 2.87Å; A257-K260 PolarHBondContact O-N 3.05Å; A257-D261 PolarHBondContact O-N 3.42Å; A257-I264 HydrophobicContact CB-CD1 3.9Å; A257-I264 WeakPolarHBondContact O-CD1 3.42Å
258I91Very high90.8Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-68.3-29.3178.369.7-177.2000112.2F254 D261 P262 I264 L265 L268 L302 N305 C306 L309F254-I258 VanDerWaalsContact O-CG1 3.3Å; F254-I258 WeakPolarHBondContact O-CG1 3.17Å; F254-I258 WeakPolarHBondContact O-CG2 3.49Å; F254-I258 PolarHBondContact O-N 2.97Å; I258-D261 CarbonylContact O-C 3.6Å; I258-D261 VanDerWaalsContact O-C 3.31Å; I258-P262 WeakPolarHBondContact O-CA 3.45Å; I258-I264 HydrophobicContact CG2-CB 4.33Å; I258-I264 HydrophobicContact CG2-CG2 4.08Å; I258-L265 HydrophobicContact CG2-CB 4.46Å; I258-L265 HydrophobicContact CG2-CD1 4.45Å; I258-L268 HydrophobicContact CG2-CD1 4.17Å; I258-L302 HydrophobicContact CD1-CD1 3.59Å; I258-N305 HydrophobicContact CD1-CB 3.69Å; I258-N305 HydrophobicContact CG1-CB 4.18Å; I258-C306 HydrophobicContact CD1-CB 4.49Å; I258-C306 WeakPolarHBondContact CD1-SG 3.47Å; I258-L309 HydrophobicContact CB-CD1 4.14Å; I258-L309 HydrophobicContact CD1-CD1 4.38Å; I258-L309 HydrophobicContact CG1-CD1 3.98Å; I258-L309 WeakPolarHBondContact O-CD1 3.36Å
259W89.6Confident90.5Very high97 Ų9724.6 Ų24.637%0.36712%0.124SC..Hα-helixtrans-67.4-43.2174.2177.5-112.5000111.2F182 D184 R255 L256 A257F182-W259 HydrophobicContact CB-CE3 4.1Å; F182-W259 HydrophobicContact CB-CH2 4.09Å; F182-W259 HydrophobicContact CB-CZ3 3.65Å; F182-W259 HydrophobicContact CD1-CE3 4Å; F182-W259 AromaticContact CD1-CZ3 3.69Å; F182-W259 HydrophobicContact CD1-CZ3 3.69Å; F182-W259 HydrophobicContact CD2-CH2 4.16Å; F182-W259 AromaticContact CD2-CZ3 3.72Å; F182-W259 HydrophobicContact CD2-CZ3 3.72Å; F182-W259 HydrophobicContact CE1-CZ3 4.25Å; F182-W259 HydrophobicContact CE2-CZ3 4.27Å; F182-W259 HydrophobicContact CG-CE3 4.04Å; F182-W259 HydrophobicContact CG-CH2 4.1Å; F182-W259 AromaticContact CG-CZ3 3.39Å; F182-W259 HydrophobicContact CG-CZ3 3.39Å; F182-W259 HydrophobicContact CZ-CZ3 4.5Å; D184-W259 HydrophobicContact CB-CD2 4.12Å; D184-W259 HydrophobicContact CB-CG 4.26Å; D184-W259 HydrophobicContact CB-CZ2 3.89Å; D184-W259 VanDerWaalsContact CB-NE1 3.27Å; R255-W259 WeakPolarHBondContact O-CB 3.49Å; R255-W259 PolarHBondContact O-N 3.44Å; L256-W259 PolarHBondContact O-N 2.88Å; A257-W259 VanDerWaalsContact C-N 3.26Å; A257-W259 PolarHBondContact O-N 2.87Å
260K88.1Confident90Very high68 Ų6828.2 Ų28.230%0.29615%0.146SC..Hα-helixtrans-70.5-41.9178.9-170.2174.3-169.7-172.60112.5V218 L219 H221 M224 V226 L256 A257V218-K260 PolarHBondContact O-NZ 2.75Å; L219-K260 HydrophobicContact CD2-CB 4.48Å; L219-K260 HydrophobicContact CD2-CD 4.19Å; H221-K260 PolarHBondContact O-NZ 3.15Å; M224-K260 VanDerWaalsContact O-CE 3.28Å; M224-K260 WeakPolarHBondContact O-CE 3.09Å; M224-K260 PolarHBondContact O-NZ 3.25Å; V226-K260 HydrophobicContact CG2-CD 4.15Å; L256-K260 WeakPolarHBondContact O-CB 3.44Å; L256-K260 PolarHBondContact O-N 2.67Å; A257-K260 PolarHBondContact O-N 3.05Å
261D87Confident89.7Confident43 Ų4329 Ų2923%0.2315%0.15CC..  trans-135.6100.1174.6-178.49.2000111.1A257 I258 N263 I264A257-D261 PolarHBondContact O-N 3.42Å; I258-D261 CarbonylContact O-C 3.6Å; I258-D261 VanDerWaalsContact O-C 3.31Å; D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 VanDerWaalsContact O-N 3.11Å; D261-N263 VanDerWaalsContact OD1-CB 3.26Å; D261-N263 WeakPolarHBondContact OD1-CB 3.42Å; D261-N263 PolarHBondContact OD1-N 2.88Å; D261-N263 PolarHBondContact OD1-ND2 2.94Å; D261-I264 HydrophobicContact CB-CD1 4.06Å; D261-I264 HydrophobicContact CB-CG1 4.03Å; D261-I264 WeakPolarHBondContact O-CB 3.37Å; D261-I264 VanDerWaalsContact O-CG1 3.25Å; D261-I264 WeakPolarHBondContact O-CG1 3.5Å; D261-I264 PolarHBondContact O-N 3.16Å
262P86.6Confident89.4Confident49 Ų4934.9 Ų34.932%0.31819%0.188SC..THydrogen-bonded Turntrans-61.2-17.8177-26.936.1000114.6I258 I264 L265 L309 W313I258-P262 WeakPolarHBondContact O-CA 3.45Å; P262-I264 PolarHBondContact O-N 3.37Å; P262-L265 VanDerWaalsContact O-CB 3.27Å; P262-L265 WeakPolarHBondContact O-CB 3.35Å; P262-L265 PolarHBondContact O-N 3.03Å; P262-L265 VanDerWaalsContact O-N 3.13Å; P262-L309 HydrophobicContact CB-CD1 4.47Å; P262-L309 HydrophobicContact CG-CD1 4.49Å; P262-L309 HydrophobicContact CG-CD2 4.22Å; P262-W313 WeakPolarHBondContact O-CH2 3.45Å
263N84.1Confident89.1Confident114 Ų11439.1 Ų39.161%0.6120%0.203SC*.Hα-helixtrans-65.6-26.8177.8-61.6-61.7000112.2D261 L265 M266 S267D261-N263 PolarHBondContact O-N 3.28Å; D261-N263 VanDerWaalsContact O-N 3.11Å; D261-N263 VanDerWaalsContact OD1-CB 3.26Å; D261-N263 WeakPolarHBondContact OD1-CB 3.42Å; D261-N263 PolarHBondContact OD1-N 2.88Å; D261-N263 PolarHBondContact OD1-ND2 2.94Å; N263-L265 PolarHBondContact O-N 3.32Å; N263-M266 WeakPolarHBondContact O-CB 3.37Å; N263-M266 PolarHBondContact O-N 3.44Å; N263-S267 PolarHBondContact O-N 3.18Å
264I86.7Confident88.9Confident4 Ų444.6 Ų44.62%0.02122%0.224CC..Hα-helixtrans-54.5-38.9173.7-59.3-176.7000110.9V226 A229 A257 I258 D261 P262 M266 S267 L268V226-I264 HydrophobicContact CB-CD1 3.86Å; V226-I264 HydrophobicContact CG1-CD1 3.56Å; V226-I264 HydrophobicContact CG2-CD1 4.23Å; A229-I264 HydrophobicContact CB-CB 3.9Å; A229-I264 HydrophobicContact CB-CD1 3.58Å; A229-I264 HydrophobicContact CB-CG1 3.35Å; A229-I264 HydrophobicContact CB-CG2 3.57Å; A257-I264 HydrophobicContact CB-CD1 3.9Å; A257-I264 WeakPolarHBondContact O-CD1 3.42Å; I258-I264 HydrophobicContact CG2-CB 4.33Å; I258-I264 HydrophobicContact CG2-CG2 4.08Å; D261-I264 HydrophobicContact CB-CD1 4.06Å; D261-I264 HydrophobicContact CB-CG1 4.03Å; D261-I264 WeakPolarHBondContact O-CB 3.37Å; D261-I264 VanDerWaalsContact O-CG1 3.25Å; D261-I264 WeakPolarHBondContact O-CG1 3.5Å; D261-I264 PolarHBondContact O-N 3.16Å; P262-I264 PolarHBondContact O-N 3.37Å; I264-M266 VanDerWaalsContact C-N 3.26Å; I264-M266 PolarHBondContact O-N 3.25Å; I264-S267 PolarHBondContact O-N 3.32Å; I264-S267 VanDerWaalsContact O-N 3.15Å; I264-L268 HydrophobicContact CG2-CD1 3.97Å; I264-L268 HydrophobicContact CG2-CG 4.18Å; I264-L268 WeakPolarHBondContact O-CG 3.48Å; I264-L268 PolarHBondContact O-N 2.84Å
265L87.8Confident88.8Confident0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-62.8-35.8-178.6-170.566000111.4I258 P262 N263 L268 F269 L276 C306 L309 W313I258-L265 HydrophobicContact CG2-CB 4.46Å; I258-L265 HydrophobicContact CG2-CD1 4.45Å; P262-L265 VanDerWaalsContact O-CB 3.27Å; P262-L265 WeakPolarHBondContact O-CB 3.35Å; P262-L265 PolarHBondContact O-N 3.03Å; P262-L265 VanDerWaalsContact O-N 3.13Å; N263-L265 PolarHBondContact O-N 3.32Å; L265-L268 PolarHBondContact O-N 2.99Å; L265-F269 HydrophobicContact CD1-CD2 4.26Å; L265-F269 HydrophobicContact CD1-CE2 3.83Å; L265-F269 HydrophobicContact CD1-CZ 4.49Å; L265-F269 HydrophobicContact CD2-CE2 3.88Å; L265-F269 HydrophobicContact CG-CD2 3.81Å; L265-F269 HydrophobicContact CG-CE2 3.51Å; L265-F269 WeakPolarHBondContact O-CD2 3.26Å; L265-F269 PolarHBondContact O-N 2.75Å; L265-L276 HydrophobicContact CD1-CD2 3.63Å; L265-C306 HydrophobicContact CD1-CB 4.09Å; L265-L309 HydrophobicContact CD2-CB 3.9Å; L265-W313 HydrophobicContact CB-CH2 3.89Å; L265-W313 HydrophobicContact CB-CZ3 4.17Å; L265-W313 HydrophobicContact CD2-CH2 3.96Å; L265-W313 HydrophobicContact CD2-CZ3 4.02Å; L265-W313 HydrophobicContact CG-CH2 4.18Å; L265-W313 HydrophobicContact CG-CZ3 4.09Å
266M84.5Confident88.7Confident68 Ų6844.9 Ų44.934%0.33523%0.226SC..Hα-helixtrans-61.6-46.9173.6-75-61.8-60.100111.5N263 I264 L268 F269 T270 W313 I315N263-M266 WeakPolarHBondContact O-CB 3.37Å; N263-M266 PolarHBondContact O-N 3.44Å; I264-M266 VanDerWaalsContact C-N 3.26Å; I264-M266 PolarHBondContact O-N 3.25Å; M266-L268 VanDerWaalsContact C-N 3.31Å; M266-L268 PolarHBondContact O-N 3.31Å; M266-F269 PolarHBondContact O-N 3.42Å; M266-T270 WeakPolarHBondContact O-CG2 3.39Å; M266-T270 PolarHBondContact O-N 2.89Å; M266-T270 PolarHBondContact O-OG1 3.11Å; M266-T270 VanDerWaalsContact O-OG1 3.06Å; M266-W313 HydrophobicContact CB-CZ3 4.43Å; M266-W313 HydrophobicContact CG-CE3 4.31Å; M266-W313 HydrophobicContact CG-CH2 3.65Å; M266-W313 HydrophobicContact CG-CZ3 3.48Å; M266-W313 VanDerWaalsContact CG-CZ3 3.48Å; M266-W313 HydrophobicContact SD-CD2 4.39Å; M266-W313 HydrophobicContact SD-CE3 3.43Å; M266-W313 HydrophobicContact SD-CH2 3.92Å; M266-W313 HydrophobicContact SD-CZ3 3.15Å; M266-W313 WeakPolarHBondContact SD-CZ3 3.46Å; M266-I315 HydrophobicContact CE-CD1 3.78Å; M266-I315 HydrophobicContact SD-CG2 4.27Å
267S86.4Confident88.6Confident29 Ų2945.3 Ų45.320%0.20323%0.227CC..Hα-helixtrans-62.5-36.9176.8-67.40000112.5E230 N263 I264 T270 D271E230-S267 VanDerWaalsContact CG-CB 3.48Å; E230-S267 WeakPolarHBondContact CG-OG 3.24Å; E230-S267 PolarHBondContact OE1-OG 3.26Å; N263-S267 PolarHBondContact O-N 3.18Å; I264-S267 PolarHBondContact O-N 3.32Å; I264-S267 VanDerWaalsContact O-N 3.15Å; S267-T270 PolarHBondContact O-N 3.32Å; S267-T270 PolarHBondContact O-OG1 3.36Å; S267-D271 PolarHBondContact O-N 2.92Å
268L89Confident88.6Confident3 Ų350.9 Ų50.92%0.01625%0.251CS..Hα-helixtrans-69.5-36.3176.4-70.1175.1000112.9L236 F254 I258 I264 L265 M266 L276L236-L268 HydrophobicContact CD2-CD1 4.34Å; L236-L268 HydrophobicContact CD2-CD2 4.28Å; F254-L268 HydrophobicContact CD1-CD1 3.81Å; F254-L268 HydrophobicContact CE1-CD1 3.95Å; F254-L268 HydrophobicContact CE1-CD2 3.95Å; F254-L268 HydrophobicContact CE1-CG 4.45Å; I258-L268 HydrophobicContact CG2-CD1 4.17Å; I264-L268 HydrophobicContact CG2-CD1 3.97Å; I264-L268 HydrophobicContact CG2-CG 4.18Å; I264-L268 WeakPolarHBondContact O-CG 3.48Å; I264-L268 PolarHBondContact O-N 2.84Å; L265-L268 PolarHBondContact O-N 2.99Å; M266-L268 VanDerWaalsContact C-N 3.31Å; M266-L268 PolarHBondContact O-N 3.31Å; L268-L276 HydrophobicContact CB-CB 4.19Å; L268-L276 HydrophobicContact CB-CD2 3.99Å
269F87Confident88.8Confident3 Ų351 Ų511%0.01325%0.252CS..Hα-helixtrans-67.4-38.3173.7-84.2-60.9000111.9L265 M266 L276 H277 W313 M316 L323L265-F269 HydrophobicContact CD1-CD2 4.26Å; L265-F269 HydrophobicContact CD1-CE2 3.83Å; L265-F269 HydrophobicContact CD1-CZ 4.49Å; L265-F269 HydrophobicContact CD2-CE2 3.88Å; L265-F269 HydrophobicContact CG-CD2 3.81Å; L265-F269 HydrophobicContact CG-CE2 3.51Å; L265-F269 WeakPolarHBondContact O-CD2 3.26Å; L265-F269 PolarHBondContact O-N 2.75Å; M266-F269 PolarHBondContact O-N 3.42Å; F269-L276 HydrophobicContact CD1-CD2 4.01Å; F269-L276 HydrophobicContact CD2-CD2 4.29Å; F269-L276 HydrophobicContact CE1-CD2 3.87Å; F269-L276 HydrophobicContact CE2-CD2 4.17Å; F269-L276 HydrophobicContact CG-CD2 4.2Å; F269-L276 HydrophobicContact CZ-CD2 3.94Å; F269-H277 AromaticContact CD1-CE1 3.88Å; F269-H277 AromaticContact CD1-NE2 3.87Å; F269-H277 PolarHBondContact O-CE1 3.06Å; F269-H277 VanDerWaalsContact O-CE1 3.32Å; F269-W313 HydrophobicContact CD2-CZ3 4.25Å; F269-W313 HydrophobicContact CE2-CZ3 4.42Å; F269-M316 HydrophobicContact CD1-CE 3.65Å; F269-M316 HydrophobicContact CD2-CE 3.87Å; F269-M316 HydrophobicContact CE1-CE 3.42Å; F269-M316 VanDerWaalsContact CE1-CE 3.42Å; F269-M316 HydrophobicContact CE1-SD 3.86Å; F269-M316 HydrophobicContact CE2-CE 3.64Å; F269-M316 HydrophobicContact CE2-SD 4.14Å; F269-M316 HydrophobicContact CG-CE 3.9Å; F269-M316 HydrophobicContact CZ-CE 3.43Å; F269-M316 VanDerWaalsContact CZ-CE 3.43Å; F269-M316 HydrophobicContact CZ-SD 3.57Å; F269-M316 VanDerWaalsContact CZ-SD 3.57Å; F269-L323 HydrophobicContact CE1-CD1 4.33Å; F269-L323 HydrophobicContact CE1-CD2 3.65Å; F269-L323 HydrophobicContact CE1-CG 3.81Å; F269-L323 HydrophobicContact CZ-CD1 4.18Å; F269-L323 HydrophobicContact CZ-CD2 4.27Å; F269-L323 HydrophobicContact CZ-CG 4.13Å
270T85.4Confident88.9Confident75 Ų7546.9 Ų46.946%0.4624%0.238SC..Hα-helixtrans-87.3-5.9-178.658.90000113.9M266 S267M266-T270 WeakPolarHBondContact O-CG2 3.39Å; M266-T270 PolarHBondContact O-N 2.89Å; M266-T270 PolarHBondContact O-OG1 3.11Å; M266-T270 VanDerWaalsContact O-OG1 3.06Å; S267-T270 PolarHBondContact O-N 3.32Å; S267-T270 PolarHBondContact O-OG1 3.36Å
271D87.8Confident89.1Confident18 Ų1847 Ų4710%0.09625%0.245CC..  trans-61.6123.2179-171.3-47000110.8S233 S267 R273 R274 P275S233-D271 WeakPolarHBondContact CB-OD2 3.27Å; S233-D271 PolarHBondContact OG-OD2 3.47Å; S267-D271 PolarHBondContact O-N 2.92Å; D271-R273 PolarHBondContact O-N 3.39Å; D271-R273 VanDerWaalsContact O-N 3.14Å; D271-R273 VanDerWaalsContact OD1-CB 3.26Å; D271-R273 WeakPolarHBondContact OD1-CB 3.46Å; D271-R273 PolarHBondContact OD1-N 3.48Å; D271-R273 IonicContact OD1-NE 3.51Å; D271-R273 PolarHBondContact OD1-NE 2.98Å; D271-R273 VanDerWaalsContact OD1-NE 3.14Å; D271-R273 IonicContact OD1-NH2 3.06Å; D271-R273 IonicContact OD2-CZ 2.67Å; D271-R273 IonicContact OD2-NE 3.88Å; D271-R273 PolarHBondContact OD2-NE 3.25Å; D271-R273 IonicContact OD2-NH2 3.72Å; D271-R273 PolarHBondContact OD2-NH2 3.37Å; D271-R274 WeakPolarHBondContact O-CA 3.4Å; D271-R274 PolarHBondContact O-N 2.93Å; D271-P275 HydrophobicContact CB-CG 4.49Å
272P88.7Confident89.2Confident122 Ų12246 Ų4679%0.79224%0.24SC*.THydrogen-bonded Turntrans-63.5-22-176.625.6-35.3000113.8
273R90.4Very high89.1Confident110 Ų11050.5 Ų50.542%0.41526%0.255SS..THydrogen-bonded Turntrans-78.1-14.9176.5-58.1171.3-66.5175.7-1.7112.3S233 D271 K278S233-R273 VanDerWaalsContact CB-NH2 3.3Å; S233-R273 PolarHBondContact OG-NH2 2.89Å; S233-R273 VanDerWaalsContact OG-NH2 3.11Å; D271-R273 PolarHBondContact O-N 3.39Å; D271-R273 VanDerWaalsContact O-N 3.14Å; D271-R273 VanDerWaalsContact OD1-CB 3.26Å; D271-R273 WeakPolarHBondContact OD1-CB 3.46Å; D271-R273 PolarHBondContact OD1-N 3.48Å; D271-R273 IonicContact OD1-NE 3.51Å; D271-R273 PolarHBondContact OD1-NE 2.98Å; D271-R273 VanDerWaalsContact OD1-NE 3.14Å; D271-R273 IonicContact OD1-NH2 3.06Å; D271-R273 IonicContact OD2-CZ 2.67Å; D271-R273 IonicContact OD2-NE 3.88Å; D271-R273 PolarHBondContact OD2-NE 3.25Å; D271-R273 IonicContact OD2-NH2 3.72Å; D271-R273 PolarHBondContact OD2-NH2 3.37Å; R273-K278 PolarHBondContact O-NZ 3.46Å
274R91.4Very high88.7Confident116 Ų11645.6 Ų45.644%0.43823%0.228SC..  trans5347.4178.6-59.7-172.2172.3-176.2-5.5114.4D271 L276 H277 K278D271-R274 WeakPolarHBondContact O-CA 3.4Å; D271-R274 PolarHBondContact O-N 2.93Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 PolarHBondContact O-N 2.63Å; R274-H277 HydrophobicContact CB-CB 4.07Å; R274-H277 PolarHBondContact O-N 2.58Å; R274-K278 WeakPolarHBondContact O-CG 3.48Å; R274-K278 PolarHBondContact O-N 3.35Å
275P91.9Very high88.1Confident6 Ų647.6 Ų47.64%0.03924%0.242CC..Hα-helixtrans-59.5-43.4-179.224.6-31.5000111.6S233 L236 D271 H277 K278 L279S233-P275 WeakPolarHBondContact OG-CG 3.46Å; L236-P275 HydrophobicContact CB-CB 4.13Å; L236-P275 HydrophobicContact CG-CB 4.3Å; L236-P275 WeakPolarHBondContact O-CB 3.31Å; D271-P275 HydrophobicContact CB-CG 4.49Å; P275-H277 PolarHBondContact O-N 3.15Å; P275-K278 PolarHBondContact O-N 3.15Å; P275-L279 PolarHBondContact O-N 3.32Å; P275-L279 VanDerWaalsContact O-N 3.13Å
276L92.5Very high87.1Confident1 Ų150.6 Ų50.61%0.00525%0.253CS..Hα-helixtrans-64-38.9179.3-178.461.6000113.2L265 L268 F269 R274 K278 L279 L323L265-L276 HydrophobicContact CD1-CD2 3.63Å; L268-L276 HydrophobicContact CB-CB 4.19Å; L268-L276 HydrophobicContact CB-CD2 3.99Å; F269-L276 HydrophobicContact CD1-CD2 4.01Å; F269-L276 HydrophobicContact CD2-CD2 4.29Å; F269-L276 HydrophobicContact CE1-CD2 3.87Å; F269-L276 HydrophobicContact CE2-CD2 4.17Å; F269-L276 HydrophobicContact CG-CD2 4.2Å; F269-L276 HydrophobicContact CZ-CD2 3.94Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 PolarHBondContact O-N 2.63Å; L276-K278 VanDerWaalsContact C-N 3.27Å; L276-K278 PolarHBondContact O-N 3.14Å; L276-L279 HydrophobicContact CD1-CD2 4.13Å; L276-L279 VanDerWaalsContact O-CB 3.23Å; L276-L279 WeakPolarHBondContact O-CB 3.33Å; L276-L279 PolarHBondContact O-N 3.16Å; L276-L323 HydrophobicContact CD2-CD2 4.45Å; L276-L323 HydrophobicContact CG-CD2 4.04Å
277H91.8Very high86.3Confident24 Ų2452.3 Ų52.311%0.11127%0.267CS..Hα-helixtrans-70.5-26.5178.8-58.380.7000112.5F269 R274 P275 K322F269-H277 AromaticContact CD1-CE1 3.88Å; F269-H277 AromaticContact CD1-NE2 3.87Å; F269-H277 PolarHBondContact O-CE1 3.06Å; F269-H277 VanDerWaalsContact O-CE1 3.32Å; R274-H277 HydrophobicContact CB-CB 4.07Å; R274-H277 PolarHBondContact O-N 2.58Å; P275-H277 PolarHBondContact O-N 3.15Å; H277-K322 PolarHBondContact CD2-O 2.9Å
278K93.2Very high85.9Confident118 Ų11856 Ų5651%0.51328%0.28SS..Hα-helixtrans-84.6-12.6176.6-68.6170.7179.8166.30112.6R273 R274 P275 L276 S280 T281 V282R273-K278 PolarHBondContact O-NZ 3.46Å; R274-K278 WeakPolarHBondContact O-CG 3.48Å; R274-K278 PolarHBondContact O-N 3.35Å; P275-K278 PolarHBondContact O-N 3.15Å; L276-K278 VanDerWaalsContact C-N 3.27Å; L276-K278 PolarHBondContact O-N 3.14Å; K278-S280 PolarHBondContact O-N 3.36Å; K278-S280 VanDerWaalsContact O-N 3.16Å; K278-T281 PolarHBondContact O-N 2.94Å; K278-T281 PolarHBondContact O-OG1 2.89Å; K278-V282 WeakPolarHBondContact O-CB 3.38Å; K278-V282 PolarHBondContact O-N 3.32Å
279L94.4Very high85.2Confident2 Ų258.5 Ų58.51%0.0130%0.296CS..THydrogen-bonded Turntrans-57.1-34.3-174-178.261.3000113.5L236 L238 P275 L276 R299 L302 L303L236-L279 HydrophobicContact CD1-CD1 4.19Å; L238-L279 HydrophobicContact CD1-CD1 3.66Å; P275-L279 PolarHBondContact O-N 3.32Å; P275-L279 VanDerWaalsContact O-N 3.13Å; L276-L279 HydrophobicContact CD1-CD2 4.13Å; L276-L279 VanDerWaalsContact O-CB 3.23Å; L276-L279 WeakPolarHBondContact O-CB 3.33Å; L276-L279 PolarHBondContact O-N 3.16Å; L279-R299 PolarHBondContact O-NE 2.8Å; L279-R299 VanDerWaalsContact O-NE 3.15Å; L279-R299 PolarHBondContact O-NH2 3.38Å; L279-L302 HydrophobicContact CD2-CB 4.38Å; L279-L302 HydrophobicContact CD2-CD2 3.49Å; L279-L302 VanDerWaalsContact CD2-CD2 3.49Å; L279-L302 HydrophobicContact CD2-CG 3.71Å; L279-L303 HydrophobicContact CB-CD2 4.41Å; L279-L303 HydrophobicContact CD2-CD2 3.77Å; L279-L303 HydrophobicContact CD2-CG 3.87Å; L279-L303 HydrophobicContact CG-CD2 4.18Å; L279-L303 HydrophobicContact CG-CG 4.28Å
280S92.6Very high84.8Confident12 Ų1262 Ų628%0.08432%0.321CS..THydrogen-bonded Turntrans-85.7-19177.857.20000114.2K278 R299K278-S280 PolarHBondContact O-N 3.36Å; K278-S280 VanDerWaalsContact O-N 3.16Å; S280-R299 VanDerWaalsContact C-NH2 3.27Å; S280-R299 PolarHBondContact O-NH2 2.9Å; S280-R299 VanDerWaalsContact O-NH2 3.11Å
281T91.6Very high84.7Confident71 Ų7159.7 Ų59.744%0.43631%0.305SS..THydrogen-bonded Turntrans-109.6-11.5-173.749.70000114K278 K283 S327K278-T281 PolarHBondContact O-N 2.94Å; K278-T281 PolarHBondContact O-OG1 2.89Å; T281-K283 PolarHBondContact O-N 2.81Å; T281-S327 VanDerWaalsContact CG2-OG 3.24Å; T281-S327 WeakPolarHBondContact CG2-OG 3.41Å
282V89.2Confident84.8Confident20 Ų2059 Ų5912%0.12130%0.301CS..  trans-59.5134.417862.10000110.7L238 K278 I284L238-V282 HydrophobicContact CB-CG1 4.32Å; L238-V282 HydrophobicContact CB-CG2 4.04Å; L238-V282 HydrophobicContact CD1-CG1 4.4Å; L238-V282 VanDerWaalsContact O-CG2 3.31Å; L238-V282 WeakPolarHBondContact O-CG2 3.45Å; K278-V282 WeakPolarHBondContact O-CB 3.38Å; K278-V282 PolarHBondContact O-N 3.32Å; V282-I284 HydrophobicContact CG1-CD1 4.09Å; V282-I284 HydrophobicContact CG1-CG1 4.01Å; V282-I284 HydrophobicContact CG2-CG1 4.42Å
283K84.2Confident84.9Confident145 Ų14553.4 Ų53.463%0.6326%0.264SS*.  trans-83.4119.3170-67.5-178.8-179.3178.30108.7E240 T281E240-K283 HydrophobicContact CG-CB 4.11Å; T281-K283 PolarHBondContact O-N 2.81Å
284I76.7Confident84.9Confident10 Ų1050 Ų505%0.05125%0.254CS..  trans-107132.9-179.4-60.9162.3000108I242 C247 V282 Y286 I295 R299I242-I284 HydrophobicContact CG2-CG2 4.29Å; C247-I284 HydrophobicContact CB-CG2 4.5Å; V282-I284 HydrophobicContact CG1-CD1 4.09Å; V282-I284 HydrophobicContact CG1-CG1 4.01Å; V282-I284 HydrophobicContact CG2-CG1 4.42Å; I284-Y286 WeakPolarHBondContact O-CD2 3.24Å; I284-Y286 WeakPolarHBondContact O-CE2 3.21Å; I284-Y286 PolarHBondContact O-N 3.46Å; I284-I295 HydrophobicContact CD1-CG2 3.84Å; I284-I295 HydrophobicContact CG2-CG2 4.14Å; I284-R299 VanDerWaalsContact CD1-CD 3.42Å; I284-R299 HydrophobicContact CD1-CG 4.37Å
285P73.1Confident85Confident47 Ų4744.4 Ų44.431%0.30523%0.233SC..  trans-73.8113.7176.931.8-35.9000110.1E240 I242 V287E240-P285 WeakPolarHBondContact O-CG 3.4Å; I242-P285 WeakPolarHBondContact O-CD 3.17Å; I242-P285 WeakPolarHBondContact O-CG 3.46Å; P285-V287 PolarHBondContact O-N 2.88Å
286Y68.6Low85Confident63 Ų6344.5 Ų44.525%0.24723%0.233CC..  trans-80.7108.5174.4-57.5-74.8000110.4I284 F292 I295 E296 E347I284-Y286 WeakPolarHBondContact O-CD2 3.24Å; I284-Y286 WeakPolarHBondContact O-CE2 3.21Å; I284-Y286 PolarHBondContact O-N 3.46Å; Y286-F292 HydrophobicContact CD1-CB 4.25Å; Y286-F292 AromaticContact CD1-CD2 3.64Å; Y286-F292 HydrophobicContact CD1-CD2 3.64Å; Y286-F292 HydrophobicContact CD1-CG 4.39Å; Y286-F292 HydrophobicContact CD2-CD2 4.04Å; Y286-F292 HydrophobicContact CD2-CE2 4.4Å; Y286-F292 AromaticContact CE1-CD2 3.38Å; Y286-F292 HydrophobicContact CE1-CD2 3.38Å; Y286-F292 AromaticContact CE1-CE2 3.92Å; Y286-F292 HydrophobicContact CE1-CE2 3.92Å; Y286-F292 HydrophobicContact CE1-CG 4.27Å; Y286-F292 AromaticContact CE2-CD2 3.82Å; Y286-F292 HydrophobicContact CE2-CD2 3.82Å; Y286-F292 AromaticContact CE2-CE2 3.8Å; Y286-F292 HydrophobicContact CE2-CE2 3.8Å; Y286-F292 AromaticContact CG-CD2 3.96Å; Y286-F292 HydrophobicContact CG-CD2 3.96Å; Y286-F292 AromaticContact CZ-CD2 3.49Å; Y286-F292 VanDerWaalsContact CZ-CD2 3.49Å; Y286-F292 AromaticContact CZ-CE2 3.53Å; Y286-I295 HydrophobicContact CD1-CD1 3.85Å; Y286-I295 HydrophobicContact CE1-CB 4.38Å; Y286-I295 HydrophobicContact CE1-CD1 4.14Å; Y286-I295 HydrophobicContact CE1-CG2 4.29Å; Y286-E296 PolarHBondContact OH-OE1 3.06Å; Y286-E347 WeakPolarHBondContact CE2-OE2 3.49Å
287V67.5Low85.1Confident104 Ų10444.8 Ų44.863%0.6324%0.236SC*.SBendtrans-77.1-34.6-179-173.70000111.5P285P285-V287 PolarHBondContact O-N 2.88Å
288K76.6Confident85.3Confident106 Ų10644 Ų4446%0.46123%0.233SC..  trans-134.2135.7175.9-53.8-169.2-161.7107.60110.4S290 E291K288-S290 PolarHBondContact O-N 3.05Å; K288-S290 VanDerWaalsContact O-N 3.11Å; K288-E291 HydrophobicContact CB-CG 4.25Å; K288-E291 WeakPolarHBondContact CD-OE1 3.39Å; K288-E291 IonicContact NZ-OE1 3.62Å; K288-E291 PolarHBondContact NZ-OE1 3.47Å; K288-E291 PolarHBondContact O-N 2.82Å
289P74.4Confident85.4Confident56 Ų5638.8 Ų38.836%0.36421%0.21SC..G310 helixtrans-54.6-30.8172.5-26.634.4000113.3E291 F292 N363 P365P289-E291 PolarHBondContact O-N 2.83Å; P289-F292 WeakPolarHBondContact O-CB 3.31Å; P289-F292 PolarHBondContact O-N 2.89Å; P289-N363 WeakPolarHBondContact CB-O 3.16Å; P289-P365 HydrophobicContact CB-CG 4.13Å; P289-P365 WeakPolarHBondContact O-CB 3.33Å; P289-P365 VanDerWaalsContact O-CG 3.27Å; P289-P365 WeakPolarHBondContact O-CG 3.31Å
290S78.5Confident85.6Confident77 Ų7738.7 Ų38.754%0.53821%0.209SC..G310 helixtrans-64.1-22.9177.458.50000114.6K288K288-S290 PolarHBondContact O-N 3.05Å; K288-S290 VanDerWaalsContact O-N 3.11Å
291E84.5Confident85.8Confident25 Ų2540.1 Ų40.112%0.11721%0.214CC..G310 helixtrans-94.7-8.1-177.2-67.6168-163.100112.6S244 K288 P289 Y293 D294 I295S244-E291 WeakPolarHBondContact CB-OE2 3.33Å; S244-E291 PolarHBondContact OG-OE2 3.32Å; K288-E291 HydrophobicContact CB-CG 4.25Å; K288-E291 WeakPolarHBondContact CD-OE1 3.39Å; K288-E291 IonicContact NZ-OE1 3.62Å; K288-E291 PolarHBondContact NZ-OE1 3.47Å; K288-E291 PolarHBondContact O-N 2.82Å; P289-E291 PolarHBondContact O-N 2.83Å; E291-Y293 PolarHBondContact O-N 3.46Å; E291-D294 PolarHBondContact O-N 2.85Å; E291-I295 HydrophobicContact CB-CD1 4.28Å; E291-I295 WeakPolarHBondContact O-CG1 3.4Å; E291-I295 PolarHBondContact O-N 2.83Å
292F88.4Confident86.1Confident5 Ų536.7 Ų36.72%0.02219%0.193CC..Hα-helixtrans-53.3-55.7-175174.5-99.1000112.1Y286 P289 D294 I295 E296 T334 V340 L344 P365Y286-F292 HydrophobicContact CD1-CB 4.25Å; Y286-F292 AromaticContact CD1-CD2 3.64Å; Y286-F292 HydrophobicContact CD1-CD2 3.64Å; Y286-F292 HydrophobicContact CD1-CG 4.39Å; Y286-F292 HydrophobicContact CD2-CD2 4.04Å; Y286-F292 HydrophobicContact CD2-CE2 4.4Å; Y286-F292 AromaticContact CE1-CD2 3.38Å; Y286-F292 HydrophobicContact CE1-CD2 3.38Å; Y286-F292 AromaticContact CE1-CE2 3.92Å; Y286-F292 HydrophobicContact CE1-CE2 3.92Å; Y286-F292 HydrophobicContact CE1-CG 4.27Å; Y286-F292 AromaticContact CE2-CD2 3.82Å; Y286-F292 HydrophobicContact CE2-CD2 3.82Å; Y286-F292 AromaticContact CE2-CE2 3.8Å; Y286-F292 HydrophobicContact CE2-CE2 3.8Å; Y286-F292 AromaticContact CG-CD2 3.96Å; Y286-F292 HydrophobicContact CG-CD2 3.96Å; Y286-F292 AromaticContact CZ-CD2 3.49Å; Y286-F292 VanDerWaalsContact CZ-CD2 3.49Å; Y286-F292 AromaticContact CZ-CE2 3.53Å; P289-F292 WeakPolarHBondContact O-CB 3.31Å; P289-F292 PolarHBondContact O-N 2.89Å; F292-D294 PolarHBondContact O-N 2.64Å; F292-I295 PolarHBondContact O-N 3.43Å; F292-E296 HydrophobicContact CZ-CG 4.38Å; F292-E296 PolarHBondContact O-N 3.05Å; F292-E296 VanDerWaalsContact O-N 3.14Å; F292-T334 HydrophobicContact CE1-CG2 3.49Å; F292-T334 VanDerWaalsContact CE1-CG2 3.49Å; F292-T334 HydrophobicContact CZ-CG2 3.6Å; F292-V340 HydrophobicContact CE1-CG1 4.23Å; F292-L344 HydrophobicContact CD1-CD2 4.5Å; F292-L344 HydrophobicContact CD2-CD2 3.76Å; F292-L344 HydrophobicContact CE1-CD2 4.36Å; F292-L344 HydrophobicContact CE2-CD2 3.62Å; F292-L344 HydrophobicContact CG-CD2 4.22Å; F292-L344 HydrophobicContact CZ-CD2 3.94Å; F292-P365 HydrophobicContact CB-CB 4.12Å; F292-P365 HydrophobicContact CB-CG 3.93Å; F292-P365 HydrophobicContact CD1-CB 4.25Å; F292-P365 HydrophobicContact CD1-CG 4.13Å; F292-P365 HydrophobicContact CG-CG 4.2Å
293Y91.3Very high86.5Confident3 Ų335.8 Ų35.81%0.01219%0.187CC..Hα-helixtrans-70.2-30.2-179.1-68.1-60.8000113.4E291 I295 E296 A297 T334 L335 N337 P365 N366 L367 H371E291-Y293 PolarHBondContact O-N 3.46Å; Y293-I295 VanDerWaalsContact C-N 3.34Å; Y293-E296 PolarHBondContact O-N 3.03Å; Y293-A297 WeakPolarHBondContact O-CB 3.35Å; Y293-A297 PolarHBondContact O-N 3.12Å; Y293-T334 HydrophobicContact CE1-CG2 4.35Å; Y293-T334 WeakPolarHBondContact CE1-O 3.36Å; Y293-L335 HydrophobicContact CD1-CD2 4.25Å; Y293-N337 PolarHBondContact OH-OD1 2.8Å; Y293-P365 HydrophobicContact CD2-CB 3.67Å; Y293-P365 HydrophobicContact CE2-CB 3.47Å; Y293-P365 VanDerWaalsContact CE2-CB 3.47Å; Y293-N366 WeakPolarHBondContact CD2-O 3.31Å; Y293-L367 HydrophobicContact CD1-CD1 3.76Å; Y293-L367 HydrophobicContact CD2-CB 4.12Å; Y293-L367 HydrophobicContact CD2-CD1 4.03Å; Y293-L367 HydrophobicContact CE1-CD1 3.75Å; Y293-L367 HydrophobicContact CE2-CB 3.6Å; Y293-L367 HydrophobicContact CE2-CD1 3.98Å; Y293-L367 HydrophobicContact CE2-CG 4.36Å; Y293-L367 HydrophobicContact CG-CD1 3.9Å; Y293-H371 VanDerWaalsContact CB-CE1 3.49Å; Y293-H371 WeakPolarHBondContact CB-CE1 3.37Å; Y293-H371 WeakPolarHBondContact CB-ND1 3.4Å; Y293-H371 AromaticContact CG-ND1 3.96Å
294D91.5Very high87.1Confident38 Ų3828.9 Ų28.920%0.20316%0.157CC..Hα-helixtrans-65.1-41.6177.6-65.37.5000111R248 E291 F292 A297 S298 H371R248-D294 IonicContact CZ-OD2 3.76Å; R248-D294 IonicContact NH1-OD2 2.74Å; R248-D294 PolarHBondContact NH1-OD2 3.27Å; R248-D294 IonicContact NH2-OD2 3.75Å; E291-D294 PolarHBondContact O-N 2.85Å; F292-D294 PolarHBondContact O-N 2.64Å; D294-A297 PolarHBondContact O-N 2.74Å; D294-S298 PolarHBondContact O-N 2.88Å; D294-S298 PolarHBondContact O-OG 3.29Å; D294-H371 IonicContact OD1-CE1 3.73Å; D294-H371 PolarHBondContact OD1-CE1 3.33Å; D294-H371 IonicContact OD1-NE2 2.77Å; D294-H371 PolarHBondContact OD1-NE2 3.49Å; D294-H371 VanDerWaalsContact OD1-NE2 3.09Å
295I91.8Very high88Confident0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-64.6-49.4176.6-67.6163.6000109.9R248 I284 Y286 E291 F292 Y293 A297 S298 R299R248-I295 HydrophobicContact CG-CG1 4.2Å; I284-I295 HydrophobicContact CD1-CG2 3.84Å; I284-I295 HydrophobicContact CG2-CG2 4.14Å; Y286-I295 HydrophobicContact CD1-CD1 3.85Å; Y286-I295 HydrophobicContact CE1-CB 4.38Å; Y286-I295 HydrophobicContact CE1-CD1 4.14Å; Y286-I295 HydrophobicContact CE1-CG2 4.29Å; E291-I295 HydrophobicContact CB-CD1 4.28Å; E291-I295 WeakPolarHBondContact O-CG1 3.4Å; E291-I295 PolarHBondContact O-N 2.83Å; F292-I295 PolarHBondContact O-N 3.43Å; Y293-I295 VanDerWaalsContact C-N 3.34Å; I295-A297 VanDerWaalsContact C-N 3.28Å; I295-A297 PolarHBondContact O-N 3.06Å; I295-S298 PolarHBondContact O-N 3.38Å; I295-R299 WeakPolarHBondContact O-CG 3.45Å; I295-R299 PolarHBondContact O-N 3.05Å
296E92.9Very high89Confident7 Ų726.1 Ų26.13%0.03314%0.14CC..Hα-helixtrans-61.3-38.1177.4-68.4-47124.800112Y286 F292 Y293 R299 A300 I331 T334 L335Y286-E296 PolarHBondContact OH-OE1 3.06Å; F292-E296 HydrophobicContact CZ-CG 4.38Å; F292-E296 PolarHBondContact O-N 3.05Å; F292-E296 VanDerWaalsContact O-N 3.14Å; Y293-E296 PolarHBondContact O-N 3.03Å; E296-R299 VanDerWaalsContact CD-NH1 3.31Å; E296-R299 PolarHBondContact O-N 3.33Å; E296-R299 IonicContact OE1-CZ 2.8Å; E296-R299 IonicContact OE1-NH1 3.98Å; E296-R299 PolarHBondContact OE1-NH1 2.97Å; E296-R299 IonicContact OE2-CZ 3.55Å; E296-R299 IonicContact OE2-NH1 2.62Å; E296-R299 PolarHBondContact OE2-NH1 2.98Å; E296-A300 WeakPolarHBondContact O-CB 3.26Å; E296-A300 PolarHBondContact O-N 3.26Å; E296-I331 HydrophobicContact CB-CG2 4.45Å; E296-T334 HydrophobicContact CG-CG2 4.42Å; E296-L335 HydrophobicContact CB-CD2 3.96Å; E296-L335 HydrophobicContact CB-CG 4.27Å
297A95.3Very high90.1Very high7 Ų723.2 Ų23.26%0.05813%0.129CC..Hα-helixtrans-64.6-45.7176.100000111.4Y293 D294 I295 R299 A300 K301 L335 V374Y293-A297 WeakPolarHBondContact O-CB 3.35Å; Y293-A297 PolarHBondContact O-N 3.12Å; D294-A297 PolarHBondContact O-N 2.74Å; I295-A297 VanDerWaalsContact C-N 3.28Å; I295-A297 PolarHBondContact O-N 3.06Å; A297-R299 PolarHBondContact O-N 3.22Å; A297-A300 PolarHBondContact O-N 3.39Å; A297-K301 VanDerWaalsContact O-CG 3.28Å; A297-K301 WeakPolarHBondContact O-CG 3.42Å; A297-K301 PolarHBondContact O-N 3.38Å; A297-L335 HydrophobicContact CB-CD2 4.1Å; A297-V374 HydrophobicContact CB-CG1 4.44Å
298S95.4Very high91.2Very high7 Ų718.3 Ų18.35%0.04910%0.1CC..Hα-helixtrans-61-42.2176.3-75.40000112.3C251 E252 D294 I295 K301 L302C251-S298 WeakPolarHBondContact CB-O 3.14Å; E252-S298 PolarHBondContact OE1-OG 3.43Å; D294-S298 PolarHBondContact O-N 2.88Å; D294-S298 PolarHBondContact O-OG 3.29Å; I295-S298 PolarHBondContact O-N 3.38Å; S298-K301 PolarHBondContact O-N 3.49Å; S298-L302 PolarHBondContact O-N 3.1Å
299R95.8Very high91.9Very high9 Ų914.7 Ų14.73%0.0349%0.085CC..Hα-helixtrans-62-47.2173.8-66.9167.275.4-171.92111.3L279 S280 I284 I295 E296 A297 K301 L302 L303L279-R299 PolarHBondContact O-NE 2.8Å; L279-R299 VanDerWaalsContact O-NE 3.15Å; L279-R299 PolarHBondContact O-NH2 3.38Å; S280-R299 VanDerWaalsContact C-NH2 3.27Å; S280-R299 PolarHBondContact O-NH2 2.9Å; S280-R299 VanDerWaalsContact O-NH2 3.11Å; I284-R299 VanDerWaalsContact CD1-CD 3.42Å; I284-R299 HydrophobicContact CD1-CG 4.37Å; I295-R299 WeakPolarHBondContact O-CG 3.45Å; I295-R299 PolarHBondContact O-N 3.05Å; E296-R299 VanDerWaalsContact CD-NH1 3.31Å; E296-R299 PolarHBondContact O-N 3.33Å; E296-R299 IonicContact OE1-CZ 2.8Å; E296-R299 IonicContact OE1-NH1 3.98Å; E296-R299 PolarHBondContact OE1-NH1 2.97Å; E296-R299 IonicContact OE2-CZ 3.55Å; E296-R299 IonicContact OE2-NH1 2.62Å; E296-R299 PolarHBondContact OE2-NH1 2.98Å; A297-R299 PolarHBondContact O-N 3.22Å; R299-K301 VanDerWaalsContact C-N 3.34Å; R299-K301 PolarHBondContact O-N 2.85Å; R299-L302 PolarHBondContact O-N 2.96Å; R299-L303 WeakPolarHBondContact O-CB 3.15Å; R299-L303 VanDerWaalsContact O-CG 3.31Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 3.31Å
300A97.6Very high92.5Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-61.4-40.5-179.300000112.2E296 A297 L303 C304 I331 L335 V374 L378E296-A300 WeakPolarHBondContact O-CB 3.26Å; E296-A300 PolarHBondContact O-N 3.26Å; A297-A300 PolarHBondContact O-N 3.39Å; A300-L303 PolarHBondContact O-N 3.37Å; A300-C304 WeakPolarHBondContact O-CB 3.47Å; A300-C304 PolarHBondContact O-N 3.36Å; A300-I331 HydrophobicContact CB-CG2 3.86Å; A300-L335 HydrophobicContact CB-CD1 3.46Å; A300-L335 VanDerWaalsContact CB-CD1 3.46Å; A300-V374 HydrophobicContact CB-CG1 3.52Å; A300-L378 HydrophobicContact CB-CD2 3.79Å
301K98.1Very high92.5Very high42 Ų4210.2 Ų10.218%0.1835%0.05CC..Hα-helixtrans-62.3-45.1176-69.9177.2-180-169.10112.3F183 E185 E252 R255 A297 S298 R299 C304 N305 V374F183-K301 HydrophobicContact CB-CB 4.2Å; F183-K301 HydrophobicContact CB-CG 4.34Å; F183-K301 HydrophobicContact CD1-CD 4.13Å; F183-K301 HydrophobicContact CD1-CG 3.86Å; F183-K301 HydrophobicContact CD2-CB 3.84Å; F183-K301 HydrophobicContact CD2-CG 3.81Å; F183-K301 HydrophobicContact CE1-CG 4.09Å; F183-K301 HydrophobicContact CE2-CB 4.37Å; F183-K301 HydrophobicContact CE2-CG 4.02Å; F183-K301 HydrophobicContact CG-CB 3.95Å; F183-K301 HydrophobicContact CG-CD 4.25Å; F183-K301 HydrophobicContact CG-CG 3.73Å; F183-K301 HydrophobicContact CZ-CG 4.16Å; E185-K301 WeakPolarHBondContact OE1-CD 3.34Å; E185-K301 WeakPolarHBondContact OE1-CE 3.45Å; E185-K301 IonicContact OE1-NZ 3.94Å; E185-K301 PolarHBondContact OE1-NZ 3.31Å; E252-K301 IonicContact OE1-NZ 2.73Å; R255-K301 HydrophobicContact CG-CB 4.42Å; A297-K301 VanDerWaalsContact O-CG 3.28Å; A297-K301 WeakPolarHBondContact O-CG 3.42Å; A297-K301 PolarHBondContact O-N 3.38Å; S298-K301 PolarHBondContact O-N 3.49Å; R299-K301 VanDerWaalsContact C-N 3.34Å; R299-K301 PolarHBondContact O-N 2.85Å; K301-C304 WeakPolarHBondContact O-CB 3.49Å; K301-C304 PolarHBondContact O-N 2.7Å; K301-N305 PolarHBondContact O-N 3.11Å; K301-N305 VanDerWaalsContact O-N 3.09Å; K301-V374 HydrophobicContact CG-CG1 3.9Å; K301-V374 HydrophobicContact CG-CG2 4.05Å
302L97.4Very high92.1Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-61.4-50174.9172.453.7000110.9L236 C251 F254 R255 I258 L279 S298 R299 C304 N305 C306L236-L302 HydrophobicContact CD1-CD2 3.77Å; C251-L302 HydrophobicContact CB-CD2 4.4Å; F254-L302 HydrophobicContact CB-CD1 3.89Å; F254-L302 HydrophobicContact CB-CD2 3.81Å; R255-L302 HydrophobicContact CB-CB 4.4Å; I258-L302 HydrophobicContact CD1-CD1 3.59Å; L279-L302 HydrophobicContact CD2-CB 4.38Å; L279-L302 HydrophobicContact CD2-CD2 3.49Å; L279-L302 VanDerWaalsContact CD2-CD2 3.49Å; L279-L302 HydrophobicContact CD2-CG 3.71Å; S298-L302 PolarHBondContact O-N 3.1Å; R299-L302 PolarHBondContact O-N 2.96Å; L302-C304 VanDerWaalsContact C-N 3.26Å; L302-C304 PolarHBondContact O-N 2.96Å; L302-N305 PolarHBondContact O-N 2.72Å; L302-C306 PolarHBondContact O-N 3.44Å; L302-C306 PolarHBondContact O-SG 3.09Å
303L97.2Very high91.6Very high0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-59.1-37.9177.2-71.9166.3000112.2L279 R299 A300 C306 L307 I328 I331 L378L279-L303 HydrophobicContact CB-CD2 4.41Å; L279-L303 HydrophobicContact CD2-CD2 3.77Å; L279-L303 HydrophobicContact CD2-CG 3.87Å; L279-L303 HydrophobicContact CG-CD2 4.18Å; L279-L303 HydrophobicContact CG-CG 4.28Å; R299-L303 WeakPolarHBondContact O-CB 3.15Å; R299-L303 VanDerWaalsContact O-CG 3.31Å; R299-L303 WeakPolarHBondContact O-CG 3.47Å; R299-L303 PolarHBondContact O-N 3.31Å; A300-L303 PolarHBondContact O-N 3.37Å; L303-C306 PolarHBondContact O-N 2.67Å; L303-L307 WeakPolarHBondContact O-CB 3.21Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.09Å; L303-I328 HydrophobicContact CB-CG2 4.45Å; L303-I328 HydrophobicContact CD1-CG1 4.13Å; L303-I328 HydrophobicContact CD1-CG2 4.37Å; L303-I328 HydrophobicContact CD2-CD1 3.95Å; L303-I328 HydrophobicContact CD2-CG1 4.01Å; L303-I331 HydrophobicContact CD1-CD1 3.65Å; L303-L378 HydrophobicContact CB-CD1 4.18Å
304C96.6Very high90.7Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-60.2-49.3176.3-167.90000110.8I181 F183 A300 K301 L302 L307 G308 L378 N381I181-C304 PolarHBondContact O-SG 3.14Å; I181-C304 VanDerWaalsContact O-SG 3.39Å; F183-C304 HydrophobicContact CD2-CB 3.89Å; F183-C304 HydrophobicContact CE2-CB 3.81Å; A300-C304 WeakPolarHBondContact O-CB 3.47Å; A300-C304 PolarHBondContact O-N 3.36Å; K301-C304 WeakPolarHBondContact O-CB 3.49Å; K301-C304 PolarHBondContact O-N 2.7Å; L302-C304 VanDerWaalsContact C-N 3.26Å; L302-C304 PolarHBondContact O-N 2.96Å; C304-L307 PolarHBondContact O-N 3.42Å; C304-G308 PolarHBondContact O-N 2.85Å; C304-L378 HydrophobicContact CB-CD1 4.17Å; C304-N381 PolarHBondContact O-ND2 3.5Å; C304-N381 PolarHBondContact SG-ND2 3.36Å
305N95.4Very high89.7Confident0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-63.8-41.7175.4-75.58.8000111.9F182 F183 R255 I258 K301 L302 G308 L309F182-N305 VanDerWaalsContact CA-OD1 3.32Å; F182-N305 WeakPolarHBondContact CA-OD1 3.41Å; F182-N305 HydrophobicContact CD1-CB 4.45Å; F183-N305 PolarHBondContact N-OD1 3.08Å; F183-N305 PolarHBondContact O-ND2 3.27Å; R255-N305 WeakPolarHBondContact CG-ND2 3.38Å; R255-N305 PolarHBondContact O-ND2 2.87Å; I258-N305 HydrophobicContact CD1-CB 3.69Å; I258-N305 HydrophobicContact CG1-CB 4.18Å; K301-N305 PolarHBondContact O-N 3.11Å; K301-N305 VanDerWaalsContact O-N 3.09Å; L302-N305 PolarHBondContact O-N 2.72Å; N305-G308 PolarHBondContact O-N 2.96Å; N305-L309 WeakPolarHBondContact O-CB 3.43Å; N305-L309 WeakPolarHBondContact O-CG 3.29Å; N305-L309 PolarHBondContact O-N 3.35Å
306C93.7Very high88.6Confident0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-59-50.3176.5-68.60000111.8I258 L265 L302 L303 S310 L323I258-C306 HydrophobicContact CD1-CB 4.49Å; I258-C306 WeakPolarHBondContact CD1-SG 3.47Å; L265-C306 HydrophobicContact CD1-CB 4.09Å; L302-C306 PolarHBondContact O-N 3.44Å; L302-C306 PolarHBondContact O-SG 3.09Å; L303-C306 PolarHBondContact O-N 2.67Å; C306-S310 VanDerWaalsContact O-CB 3.31Å; C306-S310 WeakPolarHBondContact O-CB 3.5Å; C306-S310 PolarHBondContact O-N 3.09Å; C306-S310 PolarHBondContact O-OG 2.98Å; C306-L323 HydrophobicContact CB-CD1 4.42Å
307L92.6Very high87.5Confident2 Ų231.6 Ų31.61%0.0115%0.15CC..Hα-helixtrans-62.2-44.5176.8-71.5177.9000111L303 C304 L309 S310 F311 L323 I325 I328 L378 N381 I382 Y385L303-L307 WeakPolarHBondContact O-CB 3.21Å; L303-L307 WeakPolarHBondContact O-CG 3.46Å; L303-L307 PolarHBondContact O-N 3.09Å; C304-L307 PolarHBondContact O-N 3.42Å; L307-L309 PolarHBondContact O-N 3.23Å; L307-S310 PolarHBondContact O-N 3.03Å; L307-F311 WeakPolarHBondContact O-CA 3.43Å; L307-F311 WeakPolarHBondContact O-CB 3.42Å; L307-F311 PolarHBondContact O-N 3.01Å; L307-L323 HydrophobicContact CD2-CD1 3.94Å; L307-I325 HydrophobicContact CD2-CD1 3.97Å; L307-I328 HydrophobicContact CD1-CG2 4.15Å; L307-L378 HydrophobicContact CD1-CD1 4.09Å; L307-N381 HydrophobicContact CB-CB 4.28Å; L307-I382 HydrophobicContact CD1-CG1 4.01Å; L307-Y385 HydrophobicContact CD2-CD2 3.66Å; L307-Y385 HydrophobicContact CD2-CE2 3.75Å; L307-Y385 HydrophobicContact CD2-CG 4.2Å
308G90.9Very high86.7Confident1 Ų135 Ų351%0.0117%0.168CC..Hα-helixtrans-65.9-35.5-178.200000113.9F182 C304 N305 F311F182-G308 VanDerWaalsContact CZ-C 3.41Å; F182-G308 WeakPolarHBondContact CZ-O 3.17Å; C304-G308 PolarHBondContact O-N 2.85Å; N305-G308 PolarHBondContact O-N 2.96Å; G308-F311 WeakPolarHBondContact O-CD1 3.49Å
309L90.1Very high85.8Confident30 Ų3043.1 Ų43.116%0.15720%0.202CC..Hα-helixtrans-80.4-32.6178.6-70.4172.6000111.9F182 I258 P262 L265 N305 L307 W313F182-L309 HydrophobicContact CD1-CG 4.49Å; F182-L309 HydrophobicContact CE1-CD2 3.88Å; F182-L309 HydrophobicContact CE1-CG 3.76Å; F182-L309 HydrophobicContact CZ-CD2 4.21Å; F182-L309 HydrophobicContact CZ-CG 4.48Å; I258-L309 HydrophobicContact CB-CD1 4.14Å; I258-L309 HydrophobicContact CD1-CD1 4.38Å; I258-L309 HydrophobicContact CG1-CD1 3.98Å; I258-L309 WeakPolarHBondContact O-CD1 3.36Å; P262-L309 HydrophobicContact CB-CD1 4.47Å; P262-L309 HydrophobicContact CG-CD1 4.49Å; P262-L309 HydrophobicContact CG-CD2 4.22Å; L265-L309 HydrophobicContact CD2-CB 3.9Å; N305-L309 WeakPolarHBondContact O-CB 3.43Å; N305-L309 WeakPolarHBondContact O-CG 3.29Å; N305-L309 PolarHBondContact O-N 3.35Å; L307-L309 PolarHBondContact O-N 3.23Å; L309-W313 PolarHBondContact O-NE1 3.18Å
310S86.5Confident85Confident0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-95.4-5.1-176.266.50000115.2C306 L307 N312 W313 M316C306-S310 VanDerWaalsContact O-CB 3.31Å; C306-S310 WeakPolarHBondContact O-CB 3.5Å; C306-S310 PolarHBondContact O-N 3.09Å; C306-S310 PolarHBondContact O-OG 2.98Å; L307-S310 PolarHBondContact O-N 3.03Å; S310-N312 PolarHBondContact O-N 2.97Å; S310-W313 WeakPolarHBondContact O-CB 3.41Å; S310-W313 PolarHBondContact O-N 3.24Å; S310-M316 WeakPolarHBondContact O-CG 3.45Å
311F80.1Confident84.2Confident39 Ų3949.4 Ų49.417%0.17124%0.236CC..THydrogen-bonded Turntrans-53.3-31.3-171.279.2-67.6000115.2V175 P180 L307 G308 P386V175-F311 HydrophobicContact CG1-CD2 4.41Å; V175-F311 HydrophobicContact CG1-CE2 4.01Å; P180-F311 HydrophobicContact CG-CD1 3.93Å; P180-F311 HydrophobicContact CG-CD2 4.4Å; P180-F311 HydrophobicContact CG-CE1 3.99Å; P180-F311 HydrophobicContact CG-CE2 4.46Å; P180-F311 HydrophobicContact CG-CG 4.11Å; P180-F311 HydrophobicContact CG-CZ 4.25Å; L307-F311 WeakPolarHBondContact O-CA 3.43Å; L307-F311 WeakPolarHBondContact O-CB 3.42Å; L307-F311 PolarHBondContact O-N 3.01Å; G308-F311 WeakPolarHBondContact O-CD1 3.49Å; F311-P386 WeakPolarHBondContact O-CD 3.26Å; F311-P386 WeakPolarHBondContact O-CG 3.36Å
312N75.1Confident83.5Confident103 Ų10350.7 Ų50.755%0.55124%0.241SC*.THydrogen-bonded Turntrans-1042.9-179.6-81.1-17.7000113.9S310 T314S310-N312 PolarHBondContact O-N 2.97Å; N312-T314 PolarHBondContact O-N 3.21Å
313W78.9Confident83.1Confident67 Ų6751 Ų5125%0.25424%0.243SC..  trans-73.7132.2-176.7-68.79.6000110.7P262 L265 M266 F269 L309 S310 I315 M316P262-W313 WeakPolarHBondContact O-CH2 3.45Å; L265-W313 HydrophobicContact CB-CH2 3.89Å; L265-W313 HydrophobicContact CB-CZ3 4.17Å; L265-W313 HydrophobicContact CD2-CH2 3.96Å; L265-W313 HydrophobicContact CD2-CZ3 4.02Å; L265-W313 HydrophobicContact CG-CH2 4.18Å; L265-W313 HydrophobicContact CG-CZ3 4.09Å; M266-W313 HydrophobicContact CB-CZ3 4.43Å; M266-W313 HydrophobicContact CG-CE3 4.31Å; M266-W313 HydrophobicContact CG-CH2 3.65Å; M266-W313 HydrophobicContact CG-CZ3 3.48Å; M266-W313 VanDerWaalsContact CG-CZ3 3.48Å; M266-W313 HydrophobicContact SD-CD2 4.39Å; M266-W313 HydrophobicContact SD-CE3 3.43Å; M266-W313 HydrophobicContact SD-CH2 3.92Å; M266-W313 HydrophobicContact SD-CZ3 3.15Å; M266-W313 WeakPolarHBondContact SD-CZ3 3.46Å; F269-W313 HydrophobicContact CD2-CZ3 4.25Å; F269-W313 HydrophobicContact CE2-CZ3 4.42Å; L309-W313 PolarHBondContact O-NE1 3.18Å; S310-W313 WeakPolarHBondContact O-CB 3.41Å; S310-W313 PolarHBondContact O-N 3.24Å; W313-I315 HydrophobicContact CB-CG2 4.03Å; W313-I315 HydrophobicContact CE3-CG2 4.14Å; W313-I315 PolarHBondContact O-N 3.19Å; W313-M316 HydrophobicContact CB-CG 4.25Å; W313-M316 WeakPolarHBondContact O-CB 3.45Å; W313-M316 PolarHBondContact O-N 3.35Å
314T71.1Confident82.8Confident117 Ų11754.2 Ų54.272%0.71826%0.26SS*.G310 helixtrans-61.9-31.7179.147.40000112.2N312 M316 R317N312-T314 PolarHBondContact O-N 3.21Å; T314-M316 PolarHBondContact O-N 3.05Å; T314-R317 VanDerWaalsContact O-CB 3.31Å; T314-R317 WeakPolarHBondContact O-CB 3.48Å; T314-R317 PolarHBondContact O-N 3.43Å
315I70.6Confident82.6Confident41 Ų4154.5 Ų54.521%0.2126%0.262CS..G310 helixtrans-61.9-27.8178.4-163.3168.4000112.7M266 W313 R317 D318 M321M266-I315 HydrophobicContact CE-CD1 3.78Å; M266-I315 HydrophobicContact SD-CG2 4.27Å; W313-I315 HydrophobicContact CB-CG2 4.03Å; W313-I315 HydrophobicContact CE3-CG2 4.14Å; W313-I315 PolarHBondContact O-N 3.19Å; I315-R317 PolarHBondContact O-N 2.89Å; I315-R317 VanDerWaalsContact O-N 3.13Å; I315-D318 VanDerWaalsContact O-CB 3.26Å; I315-D318 WeakPolarHBondContact O-CB 3.36Å; I315-D318 PolarHBondContact O-N 3.16Å; I315-M321 HydrophobicContact CD1-CG 4.21Å; I315-M321 HydrophobicContact CG1-CB 4.14Å; I315-M321 HydrophobicContact CG1-CG 3.85Å
316M68.3Low82.5Confident6 Ų657.6 Ų57.63%0.0328%0.278CS..G310 helixtrans-68.7-9.4175.9-65.4-64.898.300113.6F269 S310 W313 T314 D318 M321 K322F269-M316 HydrophobicContact CD1-CE 3.65Å; F269-M316 HydrophobicContact CD2-CE 3.87Å; F269-M316 HydrophobicContact CE1-CE 3.42Å; F269-M316 VanDerWaalsContact CE1-CE 3.42Å; F269-M316 HydrophobicContact CE1-SD 3.86Å; F269-M316 HydrophobicContact CE2-CE 3.64Å; F269-M316 HydrophobicContact CE2-SD 4.14Å; F269-M316 HydrophobicContact CG-CE 3.9Å; F269-M316 HydrophobicContact CZ-CE 3.43Å; F269-M316 VanDerWaalsContact CZ-CE 3.43Å; F269-M316 HydrophobicContact CZ-SD 3.57Å; F269-M316 VanDerWaalsContact CZ-SD 3.57Å; S310-M316 WeakPolarHBondContact O-CG 3.45Å; W313-M316 HydrophobicContact CB-CG 4.25Å; W313-M316 WeakPolarHBondContact O-CB 3.45Å; W313-M316 PolarHBondContact O-N 3.35Å; T314-M316 PolarHBondContact O-N 3.05Å; M316-D318 VanDerWaalsContact C-N 3.34Å; M316-M321 HydrophobicContact CE-CB 4.12Å; M316-M321 WeakPolarHBondContact CE-O 3.44Å; M316-K322 WeakPolarHBondContact O-CE 3.42Å; M316-K322 WeakPolarHBondContact O-CG 3.15Å
317R70.5Confident82.5Confident192 Ų19258.7 Ų58.773%0.72529%0.286SS*.G310 helixtrans-79.4-21.6171.9-60.5-178.6-178.7-107.5-1.5112T314 I315T314-R317 VanDerWaalsContact O-CB 3.31Å; T314-R317 WeakPolarHBondContact O-CB 3.48Å; T314-R317 PolarHBondContact O-N 3.43Å; I315-R317 PolarHBondContact O-N 2.89Å; I315-R317 VanDerWaalsContact O-N 3.13Å
318D77.9Confident82.7Confident80 Ų8058.6 Ų58.643%0.42829%0.286SS..SBendtrans-68.4131.1174.3-164.4-34.6000109.7I315 M316 D320 M321 K322I315-D318 VanDerWaalsContact O-CB 3.26Å; I315-D318 WeakPolarHBondContact O-CB 3.36Å; I315-D318 PolarHBondContact O-N 3.16Å; M316-D318 VanDerWaalsContact C-N 3.34Å; D318-D320 PolarHBondContact O-N 3.16Å; D318-D320 PolarHBondContact OD1-N 3.39Å; D318-M321 HydrophobicContact CB-CB 4.28Å; D318-M321 HydrophobicContact CB-CG 4.19Å; D318-M321 PolarHBondContact O-N 3.07Å; D318-K322 WeakPolarHBondContact O-CG 3.44Å
319K77.8Confident82.9Confident176 Ų17658.6 Ų58.677%0.76529%0.285SS*.G310 helixtrans-63.1-30.6-179.9-69.4-175.4178.6-177.50112.1M321K319-M321 VanDerWaalsContact C-N 3.31Å; K319-M321 PolarHBondContact O-N 3.05Å
320D78Confident83.1Confident100 Ų10059 Ų5954%0.53529%0.286SS..G310 helixtrans-78.6-16.4-176.3-72.4-32000113.6D318D318-D320 PolarHBondContact O-N 3.16Å; D318-D320 PolarHBondContact OD1-N 3.39Å
321M81.7Confident83.5Confident41 Ų4159.3 Ų59.320%0.20229%0.288CS..G310 helixtrans-107.72-176-61-67.3166.200112.8I315 M316 D318 K319I315-M321 HydrophobicContact CD1-CG 4.21Å; I315-M321 HydrophobicContact CG1-CB 4.14Å; I315-M321 HydrophobicContact CG1-CG 3.85Å; M316-M321 HydrophobicContact CE-CB 4.12Å; M316-M321 WeakPolarHBondContact CE-O 3.44Å; D318-M321 HydrophobicContact CB-CB 4.28Å; D318-M321 HydrophobicContact CB-CG 4.19Å; D318-M321 PolarHBondContact O-N 3.07Å; K319-M321 VanDerWaalsContact C-N 3.31Å; K319-M321 PolarHBondContact O-N 3.05Å
322K82.5Confident84.3Confident69 Ų6957.4 Ų57.430%0.328%0.28SS..  trans-73.4137.3179.6-76.7175.7-170.2-162.50110.8H277 M316 D318H277-K322 PolarHBondContact CD2-O 2.9Å; M316-K322 WeakPolarHBondContact O-CE 3.42Å; M316-K322 WeakPolarHBondContact O-CG 3.15Å; D318-K322 WeakPolarHBondContact O-CG 3.44Å
323L89Confident85.1Confident7 Ų752.6 Ų52.64%0.03725%0.254CS..  trans-70.8146.5163-60.9177.8000109.7F269 L276 C306 L307 I325 I328F269-L323 HydrophobicContact CE1-CD1 4.33Å; F269-L323 HydrophobicContact CE1-CD2 3.65Å; F269-L323 HydrophobicContact CE1-CG 3.81Å; F269-L323 HydrophobicContact CZ-CD1 4.18Å; F269-L323 HydrophobicContact CZ-CD2 4.27Å; F269-L323 HydrophobicContact CZ-CG 4.13Å; L276-L323 HydrophobicContact CD2-CD2 4.45Å; L276-L323 HydrophobicContact CG-CD2 4.04Å; C306-L323 HydrophobicContact CB-CD1 4.42Å; L307-L323 HydrophobicContact CD2-CD1 3.94Å; L323-I325 PolarHBondContact O-N 3.46Å; L323-I328 HydrophobicContact CB-CD1 3.69Å; L323-I328 HydrophobicContact CD1-CD1 4.15Å
324D91.4Very high85.8Confident67 Ų6750 Ų5036%0.35825%0.245SC..  trans-74.394.5175.9-179.18.9000110.4N326 S327 I328D324-N326 VanDerWaalsContact C-N 3.3Å; D324-N326 PolarHBondContact O-N 3.43Å; D324-N326 PolarHBondContact OD1-N 2.95Å; D324-S327 PolarHBondContact O-N 3.45Å; D324-S327 PolarHBondContact OD1-N 3.22Å; D324-S327 VanDerWaalsContact OD2-CB 3.26Å; D324-S327 WeakPolarHBondContact OD2-CB 3.23Å; D324-S327 PolarHBondContact OD2-OG 3.16Å; D324-I328 VanDerWaalsContact O-CG1 3.27Å; D324-I328 WeakPolarHBondContact O-CG1 3.49Å; D324-I328 PolarHBondContact O-N 3.11Å
325I92.7Very high86.8Confident7 Ų744.4 Ų44.44%0.03621%0.211CC..Hα-helixtrans-64.3-35.2-176.3-63.1-60000111.9L307 L323 I328 M329 I382 Y385 L388L307-I325 HydrophobicContact CD2-CD1 3.97Å; L323-I325 PolarHBondContact O-N 3.46Å; I325-I328 HydrophobicContact CD1-CD1 4.37Å; I325-I328 PolarHBondContact O-N 3.09Å; I325-M329 VanDerWaalsContact O-CB 3.23Å; I325-M329 WeakPolarHBondContact O-CB 3.45Å; I325-M329 PolarHBondContact O-N 2.76Å; I325-I382 HydrophobicContact CG2-CG2 4.05Å; I325-Y385 HydrophobicContact CD1-CD1 3.35Å; I325-Y385 HydrophobicContact CD1-CE1 3.47Å; I325-Y385 VanDerWaalsContact CD1-CE1 3.47Å; I325-Y385 HydrophobicContact CD1-CG 3.95Å; I325-Y385 HydrophobicContact CG1-CD1 3.62Å; I325-Y385 HydrophobicContact CG1-CE1 3.64Å; I325-L388 HydrophobicContact CG2-CD1 3.77Å
326N93.5Very high87.8Confident64 Ų6442.8 Ų42.834%0.34220%0.203SC..Hα-helixtrans-61-49.1177.1-175.7-99.4000110.6D324 I328 M329 Q330 E392D324-N326 VanDerWaalsContact C-N 3.3Å; D324-N326 PolarHBondContact O-N 3.43Å; D324-N326 PolarHBondContact OD1-N 2.95Å; N326-I328 PolarHBondContact O-N 2.83Å; N326-M329 WeakPolarHBondContact O-CB 3.46Å; N326-M329 PolarHBondContact O-N 3.28Å; N326-Q330 WeakPolarHBondContact O-CG 3.21Å; N326-Q330 PolarHBondContact O-N 3.15Å; N326-E392 PolarHBondContact N-OE1 3.27Å
327S93.9Very high88.7Confident24 Ų2446.3 Ų46.317%0.16822%0.222CC..Hα-helixtrans-64.8-37.6177.2-65.20000113.1T281 D324 M329 Q330 I331T281-S327 VanDerWaalsContact CG2-OG 3.24Å; T281-S327 WeakPolarHBondContact CG2-OG 3.41Å; D324-S327 PolarHBondContact O-N 3.45Å; D324-S327 PolarHBondContact OD1-N 3.22Å; D324-S327 VanDerWaalsContact OD2-CB 3.26Å; D324-S327 WeakPolarHBondContact OD2-CB 3.23Å; D324-S327 PolarHBondContact OD2-OG 3.16Å; S327-M329 VanDerWaalsContact C-N 3.34Å; S327-Q330 PolarHBondContact O-N 3.16Å; S327-I331 PolarHBondContact O-N 3.01Å
328I96Very high89.3Confident0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-65.4-39.6175.8-64.9169.1000111.1L303 L307 L323 D324 I325 N326 Q330 I331 S332 L378 I382L303-I328 HydrophobicContact CB-CG2 4.45Å; L303-I328 HydrophobicContact CD1-CG1 4.13Å; L303-I328 HydrophobicContact CD1-CG2 4.37Å; L303-I328 HydrophobicContact CD2-CD1 3.95Å; L303-I328 HydrophobicContact CD2-CG1 4.01Å; L307-I328 HydrophobicContact CD1-CG2 4.15Å; L323-I328 HydrophobicContact CB-CD1 3.69Å; L323-I328 HydrophobicContact CD1-CD1 4.15Å; D324-I328 VanDerWaalsContact O-CG1 3.27Å; D324-I328 WeakPolarHBondContact O-CG1 3.49Å; D324-I328 PolarHBondContact O-N 3.11Å; I325-I328 HydrophobicContact CD1-CD1 4.37Å; I325-I328 PolarHBondContact O-N 3.09Å; N326-I328 PolarHBondContact O-N 2.83Å; I328-Q330 VanDerWaalsContact C-N 3.34Å; I328-I331 WeakPolarHBondContact O-CB 3.32Å; I328-I331 PolarHBondContact O-N 3.39Å; I328-S332 PolarHBondContact O-N 3.19Å; I328-L378 HydrophobicContact CG2-CD1 3.74Å; I328-L378 HydrophobicContact CG2-CD2 3.9Å; I328-L378 HydrophobicContact CG2-CG 4.04Å; I328-I382 HydrophobicContact CG2-CD1 4.07Å; I328-I382 HydrophobicContact CG2-CG1 4.24Å
329M95.4Very high89.1Confident0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-63-39.5175.5178.4-17473.700111.7I325 N326 S327 I331 S332 L333 I382 E392 E395 L396I325-M329 VanDerWaalsContact O-CB 3.23Å; I325-M329 WeakPolarHBondContact O-CB 3.45Å; I325-M329 PolarHBondContact O-N 2.76Å; N326-M329 WeakPolarHBondContact O-CB 3.46Å; N326-M329 PolarHBondContact O-N 3.28Å; S327-M329 VanDerWaalsContact C-N 3.34Å; M329-I331 VanDerWaalsContact C-N 3.28Å; M329-I331 PolarHBondContact O-N 3.11Å; M329-S332 WeakPolarHBondContact O-CB 3.36Å; M329-S332 PolarHBondContact O-N 3.13Å; M329-S332 VanDerWaalsContact O-N 3.11Å; M329-L333 HydrophobicContact CG-CD1 4.17Å; M329-L333 HydrophobicContact CG-CG 4.38Å; M329-L333 WeakPolarHBondContact O-CG 3.27Å; M329-L333 PolarHBondContact O-N 3.42Å; M329-I382 HydrophobicContact CB-CD1 4.12Å; M329-E392 HydrophobicContact SD-CB 4.18Å; M329-E395 HydrophobicContact CE-CB 4.02Å; M329-E395 HydrophobicContact CE-CG 3.93Å; M329-E395 WeakPolarHBondContact CE-OE2 3.22Å; M329-E395 HydrophobicContact SD-CB 4.3Å; M329-L396 HydrophobicContact CG-CB 4.05Å; M329-L396 HydrophobicContact CG-CD1 4.29Å; M329-L396 HydrophobicContact SD-CB 3.75Å
330Q94Very high88.7Confident38 Ų3831.2 Ų31.218%0.17816%0.162CC..Hα-helixtrans-60.8-36.4175.1-65.1-51.7-42.500112.6N326 S327 I328 L333 T334 E395N326-Q330 WeakPolarHBondContact O-CG 3.21Å; N326-Q330 PolarHBondContact O-N 3.15Å; S327-Q330 PolarHBondContact O-N 3.16Å; I328-Q330 VanDerWaalsContact C-N 3.34Å; Q330-L333 PolarHBondContact O-N 3.42Å; Q330-T334 VanDerWaalsContact O-CB 3.31Å; Q330-T334 WeakPolarHBondContact O-CB 3.44Å; Q330-T334 PolarHBondContact O-N 3.39Å; Q330-T334 PolarHBondContact O-OG1 2.76Å; Q330-E395 PolarHBondContact NE2-OE1 3.19Å
331I94.9Very high88.2Confident7 Ų732.7 Ų32.74%0.03617%0.166CC..Hα-helixtrans-63.7-44.9173.5-62.9173.2000110.5E296 A300 L303 S327 I328 M329 T334 L335 L378E296-I331 HydrophobicContact CB-CG2 4.45Å; A300-I331 HydrophobicContact CB-CG2 3.86Å; L303-I331 HydrophobicContact CD1-CD1 3.65Å; S327-I331 PolarHBondContact O-N 3.01Å; I328-I331 WeakPolarHBondContact O-CB 3.32Å; I328-I331 PolarHBondContact O-N 3.39Å; M329-I331 VanDerWaalsContact C-N 3.28Å; M329-I331 PolarHBondContact O-N 3.11Å; I331-T334 WeakPolarHBondContact O-CB 3.43Å; I331-T334 PolarHBondContact O-N 2.89Å; I331-L335 HydrophobicContact CG2-CD1 4.26Å; I331-L335 WeakPolarHBondContact O-CG 3.34Å; I331-L335 PolarHBondContact O-N 3.32Å; I331-L378 HydrophobicContact CB-CD2 4.41Å; I331-L378 HydrophobicContact CG2-CD2 4.27Å
332S96.2Very high87.5Confident0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-58.8-49.5175.8175.90000111.4I328 M329 T334 L335 L336 G375 A379I328-S332 PolarHBondContact O-N 3.19Å; M329-S332 WeakPolarHBondContact O-CB 3.36Å; M329-S332 PolarHBondContact O-N 3.13Å; M329-S332 VanDerWaalsContact O-N 3.11Å; S332-T334 VanDerWaalsContact C-N 3.34Å; S332-T334 PolarHBondContact O-N 3.26Å; S332-L335 PolarHBondContact O-N 3.22Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.3Å; S332-L336 PolarHBondContact O-N 3.17Å; S332-L336 VanDerWaalsContact O-N 3.15Å; S332-G375 PolarHBondContact OG-O 2.99Å; S332-A379 WeakPolarHBondContact OG-CB 3.43Å
333L93.7Very high86.6Confident1 Ų133.8 Ų33.81%0.00517%0.174CC..Hα-helixtrans-60.9-40.8178.1-72.1177.8000112.2M329 Q330 L335 L336 N337 H338 E395 L396 Y399M329-L333 HydrophobicContact CG-CD1 4.17Å; M329-L333 HydrophobicContact CG-CG 4.38Å; M329-L333 WeakPolarHBondContact O-CG 3.27Å; M329-L333 PolarHBondContact O-N 3.42Å; Q330-L333 PolarHBondContact O-N 3.42Å; L333-L335 PolarHBondContact O-N 3.32Å; L333-L336 CarbonylContact O-C 3.19Å; L333-L336 WeakPolarHBondContact O-CA 3.47Å; L333-L336 PolarHBondContact O-N 3.24Å; L333-N337 PolarHBondContact O-N 3.09Å; L333-H338 HydrophobicContact CB-CB 3.83Å; L333-H338 HydrophobicContact CD2-CB 4.32Å; L333-H338 VanDerWaalsContact O-CB 3.29Å; L333-H338 WeakPolarHBondContact O-CB 3.41Å; L333-H338 PolarHBondContact O-N 2.85Å; L333-E395 HydrophobicContact CD1-CG 4.33Å; L333-L396 HydrophobicContact CD2-CD1 3.99Å; L333-L396 HydrophobicContact CG-CD1 4.44Å; L333-Y399 HydrophobicContact CD2-CD1 3.48Å; L333-Y399 VanDerWaalsContact CD2-CD1 3.48Å; L333-Y399 HydrophobicContact CD2-CE1 4.33Å; L333-Y399 HydrophobicContact CD2-CG 4.02Å
334T92.1Very high85.5Confident12 Ų1233.9 Ų33.97%0.07418%0.175CC..Hα-helixtrans-58.7-48175.4-63.20000111.4F292 Y293 E296 Q330 I331 S332 L336 N337 V340F292-T334 HydrophobicContact CE1-CG2 3.49Å; F292-T334 VanDerWaalsContact CE1-CG2 3.49Å; F292-T334 HydrophobicContact CZ-CG2 3.6Å; Y293-T334 HydrophobicContact CE1-CG2 4.35Å; Y293-T334 WeakPolarHBondContact CE1-O 3.36Å; E296-T334 HydrophobicContact CG-CG2 4.42Å; Q330-T334 VanDerWaalsContact O-CB 3.31Å; Q330-T334 WeakPolarHBondContact O-CB 3.44Å; Q330-T334 PolarHBondContact O-N 3.39Å; Q330-T334 PolarHBondContact O-OG1 2.76Å; I331-T334 WeakPolarHBondContact O-CB 3.43Å; I331-T334 PolarHBondContact O-N 2.89Å; S332-T334 VanDerWaalsContact C-N 3.34Å; S332-T334 PolarHBondContact O-N 3.26Å; T334-L336 PolarHBondContact O-N 3.19Å; T334-N337 PolarHBondContact O-N 3.36Å; T334-V340 HydrophobicContact CG2-CG2 4.38Å
335L92.7Very high84Confident0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-66.2-16176.6-71.2171.6000113.6Y293 E296 A297 A300 I331 S332 L333 L367 H371 V374Y293-L335 HydrophobicContact CD1-CD2 4.25Å; E296-L335 HydrophobicContact CB-CD2 3.96Å; E296-L335 HydrophobicContact CB-CG 4.27Å; A297-L335 HydrophobicContact CB-CD2 4.1Å; A300-L335 HydrophobicContact CB-CD1 3.46Å; A300-L335 VanDerWaalsContact CB-CD1 3.46Å; I331-L335 HydrophobicContact CG2-CD1 4.26Å; I331-L335 WeakPolarHBondContact O-CG 3.34Å; I331-L335 PolarHBondContact O-N 3.32Å; S332-L335 PolarHBondContact O-N 3.22Å; L333-L335 PolarHBondContact O-N 3.32Å; L335-L367 WeakPolarHBondContact O-CD1 3.37Å; L335-H371 HydrophobicContact CD2-CB 3.98Å; L335-V374 HydrophobicContact CD1-CB 4.37Å; L335-V374 HydrophobicContact CD1-CG1 3.93Å
336L91.4Very high82.4Confident8 Ų840.1 Ų40.14%0.04221%0.205CC..THydrogen-bonded Turntrans-98.111.8173.3-60.9174.9000112.9S332 L333 T334 H338 K372 L376 Y399 L400 L403S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.3Å; S332-L336 PolarHBondContact O-N 3.17Å; S332-L336 VanDerWaalsContact O-N 3.15Å; L333-L336 CarbonylContact O-C 3.19Å; L333-L336 WeakPolarHBondContact O-CA 3.47Å; L333-L336 PolarHBondContact O-N 3.24Å; T334-L336 PolarHBondContact O-N 3.19Å; L336-H338 VanDerWaalsContact C-N 3.33Å; L336-H338 PolarHBondContact O-N 3.48Å; L336-K372 HydrophobicContact CD2-CB 4.45Å; L336-L376 HydrophobicContact CD1-CD2 4.25Å; L336-L376 HydrophobicContact CD2-CD2 3.84Å; L336-L376 HydrophobicContact CD2-CG 3.75Å; L336-Y399 HydrophobicContact CB-CD1 4.47Å; L336-Y399 HydrophobicContact CB-CE1 3.67Å; L336-Y399 PolarHBondContact O-OH 2.83Å; L336-L400 HydrophobicContact CD1-CD2 3.82Å; L336-L403 HydrophobicContact CB-CD1 4.15Å; L336-L403 HydrophobicContact CD1-CD1 4.13Å
337N86.8Confident80.7Confident79 Ų7941.5 Ų41.542%0.42221%0.21SC..THydrogen-bonded Turntrans66.521.9-179.2-149.137000116.3Y293 L333 T334 D339 L367Y293-N337 PolarHBondContact OH-OD1 2.8Å; L333-N337 PolarHBondContact O-N 3.09Å; T334-N337 PolarHBondContact O-N 3.36Å; N337-D339 PolarHBondContact O-N 3.28Å; N337-L367 HydrophobicContact CB-CD2 3.55Å
338H84.4Confident78.7Confident56 Ų5644.5 Ų44.526%0.25922%0.222SC..SBendtrans-73.4121.4177.5-174.9-106.1000110.9L333 L336 V340 Y399L333-H338 HydrophobicContact CB-CB 3.83Å; L333-H338 HydrophobicContact CD2-CB 4.32Å; L333-H338 VanDerWaalsContact O-CB 3.29Å; L333-H338 WeakPolarHBondContact O-CB 3.41Å; L333-H338 PolarHBondContact O-N 2.85Å; L336-H338 VanDerWaalsContact C-N 3.33Å; L336-H338 PolarHBondContact O-N 3.48Å; H338-V340 PolarHBondContact O-N 2.92Å; H338-Y399 HydrophobicContact CB-CD1 4.05Å; H338-Y399 HydrophobicContact CB-CD2 4.46Å; H338-Y399 HydrophobicContact CB-CE1 3.65Å; H338-Y399 HydrophobicContact CB-CE2 4.13Å; H338-Y399 HydrophobicContact CB-CG 4.41Å; H338-Y399 AromaticContact CD2-CD2 3.3Å; H338-Y399 WeakPolarHBondContact CD2-CD2 3.37Å; H338-Y399 AromaticContact CD2-CE2 3.49Å; H338-Y399 VanDerWaalsContact CD2-CE2 3.49Å; H338-Y399 WeakPolarHBondContact CD2-CE2 3.38Å; H338-Y399 AromaticContact CD2-CG 3.68Å; H338-Y399 AromaticContact CD2-CZ 3.99Å; H338-Y399 PolarHBondContact N-OH 2.98Å
339D73Confident76.3Confident70 Ų7051 Ų5137%0.37426%0.255SS..SBendtrans50.226.4170.7-152.329.6000116.1N337 E341 N342 H343N337-D339 PolarHBondContact O-N 3.28Å; D339-E341 VanDerWaalsContact C-N 3.31Å; D339-E341 PolarHBondContact O-N 3.39Å; D339-N342 PolarHBondContact O-N 3.01Å; D339-N342 VanDerWaalsContact O-N 3.11Å; D339-N342 WeakPolarHBondContact OD1-CB 3.33Å; D339-N342 PolarHBondContact OD1-ND2 3.23Å; D339-N342 WeakPolarHBondContact OD2-CB 3.25Å; D339-N342 PolarHBondContact OD2-ND2 3.02Å; D339-H343 PolarHBondContact O-CD2 3.02Å; D339-H343 PolarHBondContact O-N 2.81Å; D339-H343 VanDerWaalsContact O-N 3.09Å
340V69.9Low73.9Confident6 Ų654 Ų544%0.03629%0.285CS..Hα-helixtrans-62.3-36.1-171176.20000112.2F292 T334 H338 N342 H343 L344F292-V340 HydrophobicContact CE1-CG1 4.23Å; T334-V340 HydrophobicContact CG2-CG2 4.38Å; H338-V340 PolarHBondContact O-N 2.92Å; V340-N342 VanDerWaalsContact C-N 3.29Å; V340-N342 PolarHBondContact O-N 2.94Å; V340-H343 PolarHBondContact O-N 3.14Å; V340-L344 HydrophobicContact CG1-CD1 3.61Å; V340-L344 HydrophobicContact CG1-CG 3.91Å; V340-L344 WeakPolarHBondContact O-CB 3.26Å; V340-L344 WeakPolarHBondContact O-CG 2.96Å; V340-L344 PolarHBondContact O-N 3.28Å
341E66.6Low71.5Confident130 Ų13054.8 Ų54.861%0.60730%0.295SS*.Hα-helixtrans-59.6-40177.3-66.7-174.9173.200112D339 S345 L364D339-E341 VanDerWaalsContact C-N 3.31Å; D339-E341 PolarHBondContact O-N 3.39Å; E341-S345 VanDerWaalsContact O-CB 3.29Å; E341-S345 WeakPolarHBondContact O-CB 3.34Å; E341-S345 PolarHBondContact O-N 2.94Å; E341-S345 VanDerWaalsContact O-N 3.14Å; E341-S345 PolarHBondContact O-OG 2.95Å; E341-L364 HydrophobicContact CG-CD1 4.35Å
342N66.7Low69Low86 Ų8659.5 Ų59.546%0.4634%0.335SS..Hα-helixtrans-73.4-38.3176.9-76.6-29.4000111.8D339 V340 K346D339-N342 PolarHBondContact O-N 3.01Å; D339-N342 VanDerWaalsContact O-N 3.11Å; D339-N342 WeakPolarHBondContact OD1-CB 3.33Å; D339-N342 PolarHBondContact OD1-ND2 3.23Å; D339-N342 WeakPolarHBondContact OD2-CB 3.25Å; D339-N342 PolarHBondContact OD2-ND2 3.02Å; V340-N342 VanDerWaalsContact C-N 3.29Å; V340-N342 PolarHBondContact O-N 2.94Å; N342-K346 WeakPolarHBondContact O-CG 3.5Å; N342-K346 PolarHBondContact O-N 3.43Å; N342-K346 VanDerWaalsContact O-N 3.09Å
343H64.2Low66.4Low47 Ų4765.9 Ų65.922%0.21837%0.374CS..Hα-helixtrans-64.8-50.6176.6-85.9-84.5000112.3D339 V340 S345 K346 E347D339-H343 PolarHBondContact O-CD2 3.02Å; D339-H343 PolarHBondContact O-N 2.81Å; D339-H343 VanDerWaalsContact O-N 3.09Å; V340-H343 PolarHBondContact O-N 3.14Å; H343-S345 VanDerWaalsContact C-N 3.29Å; H343-S345 PolarHBondContact O-N 2.99Å; H343-K346 WeakPolarHBondContact O-CB 3.35Å; H343-K346 PolarHBondContact O-N 3.32Å; H343-K346 VanDerWaalsContact O-N 3.08Å; H343-E347 PolarHBondContact O-N 3.44Å
344L65.2Low63.7Low10 Ų1070.3 Ų70.35%0.05240%0.401CS..Hα-helixtrans-60.3-39.9176.8-72172.3000111.6F292 V340 K346 E347 M348 L359 L364 P365F292-L344 HydrophobicContact CD1-CD2 4.5Å; F292-L344 HydrophobicContact CD2-CD2 3.76Å; F292-L344 HydrophobicContact CE1-CD2 4.36Å; F292-L344 HydrophobicContact CE2-CD2 3.62Å; F292-L344 HydrophobicContact CG-CD2 4.22Å; F292-L344 HydrophobicContact CZ-CD2 3.94Å; V340-L344 HydrophobicContact CG1-CD1 3.61Å; V340-L344 HydrophobicContact CG1-CG 3.91Å; V340-L344 WeakPolarHBondContact O-CB 3.26Å; V340-L344 WeakPolarHBondContact O-CG 2.96Å; V340-L344 PolarHBondContact O-N 3.28Å; L344-K346 VanDerWaalsContact C-N 3.32Å; L344-K346 PolarHBondContact O-N 2.95Å; L344-E347 PolarHBondContact O-N 3.35Å; L344-M348 WeakPolarHBondContact O-CB 3.21Å; L344-M348 VanDerWaalsContact O-CG 3.25Å; L344-M348 WeakPolarHBondContact O-CG 3.39Å; L344-M348 PolarHBondContact O-N 3.06Å; L344-L359 HydrophobicContact CB-CD1 4.12Å; L344-L364 HydrophobicContact CD1-CD1 4.37Å; L344-P365 HydrophobicContact CD1-CG 3.88Å
345S60.8Low61Low58 Ų5874.6 Ų74.641%0.40643%0.429SS..Hα-helixtrans-61.2-39.5175.6-63.30000112.1E341 H343 M349E341-S345 VanDerWaalsContact O-CB 3.29Å; E341-S345 WeakPolarHBondContact O-CB 3.34Å; E341-S345 PolarHBondContact O-N 2.94Å; E341-S345 VanDerWaalsContact O-N 3.14Å; E341-S345 PolarHBondContact O-OG 2.95Å; H343-S345 VanDerWaalsContact C-N 3.29Å; H343-S345 PolarHBondContact O-N 2.99Å; S345-M349 WeakPolarHBondContact O-CB 3.18Å; S345-M349 WeakPolarHBondContact O-CG 3.4Å; S345-M349 PolarHBondContact O-N 3.22Å
346K60Low58.4Low146 Ų14679.2 Ų79.264%0.63546%0.459SS*.Hα-helixtrans-69.7-41.2176.3-73.6170.6-175.4167.70112.3N342 H343 L344N342-K346 WeakPolarHBondContact O-CG 3.5Å; N342-K346 PolarHBondContact O-N 3.43Å; N342-K346 VanDerWaalsContact O-N 3.09Å; H343-K346 WeakPolarHBondContact O-CB 3.35Å; H343-K346 PolarHBondContact O-N 3.32Å; H343-K346 VanDerWaalsContact O-N 3.08Å; L344-K346 VanDerWaalsContact C-N 3.32Å; L344-K346 PolarHBondContact O-N 2.95Å
347E57.4Low56.2Low93 Ų9383 Ų8344%0.43548%0.483SS..Hα-helixtrans-73.3-44.1-177.4-71.7-171.6159.400112.8Y286 H343 L344 M349 G350Y286-E347 WeakPolarHBondContact CE2-OE2 3.49Å; H343-E347 PolarHBondContact O-N 3.44Å; L344-E347 PolarHBondContact O-N 3.35Å; E347-M349 VanDerWaalsContact C-N 3.29Å; E347-M349 PolarHBondContact O-N 3.13Å; E347-G350 PolarHBondContact O-N 3.15Å; E347-G350 VanDerWaalsContact O-N 3.08Å
348M52.2Low54.2Low88 Ų8885 Ų8543%0.43350%0.497SS..Hα-helixtrans-66.3-31.9179.6-65.9-177.694.800112.2L344 G350 S351 L359L344-M348 WeakPolarHBondContact O-CB 3.21Å; L344-M348 VanDerWaalsContact O-CG 3.25Å; L344-M348 WeakPolarHBondContact O-CG 3.39Å; L344-M348 PolarHBondContact O-N 3.06Å; M348-G350 VanDerWaalsContact C-N 3.25Å; M348-G350 PolarHBondContact O-N 3.31Å; M348-S351 PolarHBondContact O-N 3.35Å; M348-S351 PolarHBondContact O-OG 3.04Å; M348-L359 HydrophobicContact SD-CD2 3.92Å
349M44.1Very low52.5Low137 Ų13784.7 Ų84.768%0.67550%0.497SS*.THydrogen-bonded Turntrans-70.9-17.1174.6-69.9-76.7-79.700113.5S345 E347 P356S345-M349 WeakPolarHBondContact O-CB 3.18Å; S345-M349 WeakPolarHBondContact O-CG 3.4Å; S345-M349 PolarHBondContact O-N 3.22Å; E347-M349 VanDerWaalsContact C-N 3.29Å; E347-M349 PolarHBondContact O-N 3.13Å; M349-P356 HydrophobicContact SD-CB 3.77Å
350G46.3Very low51.4Low62 Ų6284.2 Ų84.264%0.63950%0.497SS*.THydrogen-bonded Turntrans-79.8-14.7177.400000114.5E347 M348 A352E347-G350 PolarHBondContact O-N 3.15Å; E347-G350 VanDerWaalsContact O-N 3.08Å; M348-G350 VanDerWaalsContact C-N 3.25Å; M348-G350 PolarHBondContact O-N 3.31Å; G350-A352 PolarHBondContact O-N 3.42Å
351S42.9Very low50.5Low55 Ų5590.1 Ų90.139%0.38554%0.536SS..  trans-83.1106.9174.377.20000109.8M348 T353M348-S351 PolarHBondContact O-N 3.35Å; M348-S351 PolarHBondContact O-OG 3.04Å; S351-T353 PolarHBondContact O-N 3.31Å
352A42Very low49.8Very low105 Ų10588.7 Ų88.787%0.86854%0.54SS*.THydrogen-bonded Turntrans-68.56.4-169.700000115.9G350G350-A352 PolarHBondContact O-N 3.42Å
353T41.4Very low49.5Very low134 Ų13487.4 Ų87.482%0.82253%0.533SS*.THydrogen-bonded Turntrans-127.64.8-168.745.70000116.1S351S351-T353 PolarHBondContact O-N 3.31Å
354T37.1Very low49.7Very low95 Ų9588.5 Ų88.558%0.58354%0.54SS*.SBendtrans-129.2138.4173.29.40000111.9
355P35Very low50.3Low102 Ų10288.4 Ų88.466%0.66254%0.54SS*.  trans-59.6152.7176-8.921.7000109.8T357P355-T357 PolarHBondContact O-N 3.06Å; P355-T357 PolarHBondContact O-OG1 3.18Å
356P39.6Very low51.4Low97 Ų9791.3 Ų91.363%0.6355%0.551SS**  trans-58.8101.9177.224.1-31.4000108.3M349 V358M349-P356 HydrophobicContact SD-CB 3.77Å; P356-V358 PolarHBondContact O-N 3.44Å
357T45.3Very low52.6Low88 Ų8885.8 Ų85.854%0.5453%0.528SS..  trans-71.6103171.5-520000104.1P355 L359P355-T357 PolarHBondContact O-N 3.06Å; P355-T357 PolarHBondContact O-OG1 3.18Å; T357-L359 PolarHBondContact O-N 3.33Å
358V45.1Very low54.1Low119 Ų11984.2 Ų84.272%0.72152%0.523SS*.  trans-49119.2170.5175.50000106.6P356 T360P356-V358 PolarHBondContact O-N 3.44Å; V358-T360 PolarHBondContact O-N 2.79Å
359L46.8Very low55.8Low50 Ų5083.1 Ų83.126%0.26252%0.522SS..  trans-60.5103.1176.3-72.7169.7000107.5L344 M348 T357L344-L359 HydrophobicContact CB-CD1 4.12Å; M348-L359 HydrophobicContact SD-CD2 3.92Å; T357-L359 PolarHBondContact O-N 3.33Å
360T51Low58Low60 Ų6082.1 Ų82.137%0.36852%0.516SS..  trans-77152.8166.9520000108.5V358 S362 N363V358-T360 PolarHBondContact O-N 2.79Å; T360-S362 PolarHBondContact O-N 3.44Å; T360-S362 PolarHBondContact OG1-OG 2.96Å; T360-N363 PolarHBondContact O-N 2.82Å; T360-N363 PolarHBondContact OG1-ND2 2.78Å
361P51.6Low60.1Low131 Ų13179.5 Ų79.585%0.85149%0.487SS*.G310 helixtrans-53.5-24175.7-26.233.2000113.9N363P361-N363 VanDerWaalsContact C-N 3.32Å
362S50.9Low62.5Low99 Ų9980.4 Ų80.469%0.69248%0.484SS*.G310 helixtrans-72.3-19.5175.263.20000114.8T360T360-S362 PolarHBondContact O-N 3.44Å; T360-S362 PolarHBondContact OG1-OG 2.96Å
363N60.3Low64.9Low60 Ų6077.6 Ų77.632%0.32145%0.454SS..G310 helixtrans-103.3-0.4-174.7-67.1-3000112.6P289 T360 P361P289-N363 WeakPolarHBondContact CB-O 3.16Å; T360-N363 PolarHBondContact O-N 2.82Å; T360-N363 PolarHBondContact OG1-ND2 2.78Å; P361-N363 VanDerWaalsContact C-N 3.32Å
364L69.3Low67.5Low70 Ų7071.5 Ų71.537%0.36642%0.417SS..SBendtrans-70131177.7-162.970.6000109.3E341 L344 N366E341-L364 HydrophobicContact CG-CD1 4.35Å; L344-L364 HydrophobicContact CD1-CD1 4.37Å; L364-N366 PolarHBondContact O-N 3Å
365P77.7Confident70.3Confident8 Ų867 Ų675%0.05239%0.389CS..PPolyproline II helixtrans-52.2137.7171.8-27.436.3000111.3P289 F292 Y293 L344 L367P289-P365 HydrophobicContact CB-CG 4.13Å; P289-P365 WeakPolarHBondContact O-CB 3.33Å; P289-P365 VanDerWaalsContact O-CG 3.27Å; P289-P365 WeakPolarHBondContact O-CG 3.31Å; F292-P365 HydrophobicContact CB-CB 4.12Å; F292-P365 HydrophobicContact CB-CG 3.93Å; F292-P365 HydrophobicContact CD1-CB 4.25Å; F292-P365 HydrophobicContact CD1-CG 4.13Å; F292-P365 HydrophobicContact CG-CG 4.2Å; Y293-P365 HydrophobicContact CD2-CB 3.67Å; Y293-P365 HydrophobicContact CE2-CB 3.47Å; Y293-P365 VanDerWaalsContact CE2-CB 3.47Å; L344-P365 HydrophobicContact CD1-CG 3.88Å; P365-L367 PolarHBondContact O-N 2.87Å
366N82.6Confident73.1Confident118 Ų11862.1 Ų62.163%0.63136%0.357SS*.PPolyproline II helixtrans-85116.1177.7-172.226.4000110.2Y293 L364 L368Y293-N366 WeakPolarHBondContact CD2-O 3.31Å; L364-N366 PolarHBondContact O-N 3Å; N366-L368 PolarHBondContact O-N 3.36Å
367L87Confident75.8Confident30 Ų3057.5 Ų57.516%0.15733%0.327CS..  trans-84.1112.3178.6-177.464.2000111.2Y293 L335 N337 P365 H371 K372Y293-L367 HydrophobicContact CD1-CD1 3.76Å; Y293-L367 HydrophobicContact CD2-CB 4.12Å; Y293-L367 HydrophobicContact CD2-CD1 4.03Å; Y293-L367 HydrophobicContact CE1-CD1 3.75Å; Y293-L367 HydrophobicContact CE2-CB 3.6Å; Y293-L367 HydrophobicContact CE2-CD1 3.98Å; Y293-L367 HydrophobicContact CE2-CG 4.36Å; Y293-L367 HydrophobicContact CG-CD1 3.9Å; L335-L367 WeakPolarHBondContact O-CD1 3.37Å; N337-L367 HydrophobicContact CB-CD2 3.55Å; P365-L367 PolarHBondContact O-N 2.87Å; L367-H371 HydrophobicContact CD1-CB 3.53Å; L367-K372 HydrophobicContact CD1-CG 4.38Å; L367-K372 HydrophobicContact CD2-CD 4.3Å; L367-K372 HydrophobicContact CD2-CG 3.95Å; L367-K372 HydrophobicContact CG-CG 4.11Å
368L88.8Confident78.3Confident60 Ų6053.3 Ų53.331%0.31430%0.302SS..  trans-85.5155.7177.9-59.1178.2000112N366 E370 H371 K372N366-L368 PolarHBondContact O-N 3.36Å; L368-E370 HydrophobicContact CB-CG 3.9Å; L368-E370 VanDerWaalsContact CD1-OE1 3.24Å; L368-E370 WeakPolarHBondContact CD1-OE1 3.45Å; L368-E370 PolarHBondContact O-N 3.41Å; L368-H371 PolarHBondContact N-ND1 3.4Å; L368-H371 WeakPolarHBondContact O-CB 3.49Å; L368-H371 PolarHBondContact O-N 3.37Å; L368-H371 VanDerWaalsContact O-N 3.14Å; L368-K372 PolarHBondContact O-N 3.45Å
369P87.8Confident80.8Confident65 Ų6547.7 Ų47.742%0.42227%0.267SS..Hα-helixtrans-57.2-35.9175.5-25.534.9000113.8H371 K372 L373 Y413P369-H371 VanDerWaalsContact C-N 3.29Å; P369-H371 PolarHBondContact O-N 3.19Å; P369-K372 WeakPolarHBondContact O-CB 3.38Å; P369-K372 PolarHBondContact O-N 3.37Å; P369-K372 VanDerWaalsContact O-N 3.16Å; P369-L373 PolarHBondContact O-N 3.08Å; P369-Y413 HydrophobicContact CB-CE2 3.95Å; P369-Y413 HydrophobicContact CG-CE2 4.48Å
370E89.3Confident83.2Confident117 Ų11745.3 Ų45.355%0.54726%0.255SS..Hα-helixtrans-63.1-33.8177.462.8-166.1176.800112.9L368 L373 V374L368-E370 HydrophobicContact CB-CG 3.9Å; L368-E370 VanDerWaalsContact CD1-OE1 3.24Å; L368-E370 WeakPolarHBondContact CD1-OE1 3.45Å; L368-E370 PolarHBondContact O-N 3.41Å; E370-L373 PolarHBondContact O-N 3.14Å; E370-V374 WeakPolarHBondContact O-CG2 3.31Å; E370-V374 PolarHBondContact O-N 3.38Å; E370-V374 VanDerWaalsContact O-N 3.09Å
371H91.8Very high85.3Confident7 Ų742.6 Ų42.63%0.03224%0.238CC..Hα-helixtrans-65.4-43.6173.7-59.6154.2000111.1Y293 D294 L335 L367 L368 P369 L373 V374 G375Y293-H371 VanDerWaalsContact CB-CE1 3.49Å; Y293-H371 WeakPolarHBondContact CB-CE1 3.37Å; Y293-H371 WeakPolarHBondContact CB-ND1 3.4Å; Y293-H371 AromaticContact CG-ND1 3.96Å; D294-H371 IonicContact OD1-CE1 3.73Å; D294-H371 PolarHBondContact OD1-CE1 3.33Å; D294-H371 IonicContact OD1-NE2 2.77Å; D294-H371 PolarHBondContact OD1-NE2 3.49Å; D294-H371 VanDerWaalsContact OD1-NE2 3.09Å; L335-H371 HydrophobicContact CD2-CB 3.98Å; L367-H371 HydrophobicContact CD1-CB 3.53Å; L368-H371 PolarHBondContact N-ND1 3.4Å; L368-H371 WeakPolarHBondContact O-CB 3.49Å; L368-H371 PolarHBondContact O-N 3.37Å; L368-H371 VanDerWaalsContact O-N 3.14Å; P369-H371 VanDerWaalsContact C-N 3.29Å; P369-H371 PolarHBondContact O-N 3.19Å; H371-L373 VanDerWaalsContact C-N 3.34Å; H371-L373 PolarHBondContact O-N 3.46Å; H371-V374 PolarHBondContact O-N 2.89Å; H371-G375 PolarHBondContact O-N 3.29Å
372K91.6Very high87.4Confident73 Ų7336.4 Ų36.432%0.31720%0.198SC..Hα-helixtrans-61.9-42.6176.6-65.1-174.8177-173.20111.8L336 L367 L368 P369 V374 G375 L376L336-K372 HydrophobicContact CD2-CB 4.45Å; L367-K372 HydrophobicContact CD1-CG 4.38Å; L367-K372 HydrophobicContact CD2-CD 4.3Å; L367-K372 HydrophobicContact CD2-CG 3.95Å; L367-K372 HydrophobicContact CG-CG 4.11Å; L368-K372 PolarHBondContact O-N 3.45Å; P369-K372 WeakPolarHBondContact O-CB 3.38Å; P369-K372 PolarHBondContact O-N 3.37Å; P369-K372 VanDerWaalsContact O-N 3.16Å; K372-V374 VanDerWaalsContact C-N 3.31Å; K372-V374 PolarHBondContact O-N 3.41Å; K372-G375 PolarHBondContact O-N 3.41Å; K372-G375 VanDerWaalsContact O-N 3.16Å; K372-L376 WeakPolarHBondContact O-CG 3.37Å; K372-L376 PolarHBondContact O-N 3.45Å
373L92.5Very high89.5Confident47 Ų4731.7 Ų31.725%0.24617%0.165CC..Hα-helixtrans-58.9-43.6175.8177.661.4000111.5P369 E370 H371 L376 A377 I415 D416 Y419P369-L373 PolarHBondContact O-N 3.08Å; E370-L373 PolarHBondContact O-N 3.14Å; H371-L373 VanDerWaalsContact C-N 3.34Å; H371-L373 PolarHBondContact O-N 3.46Å; L373-L376 PolarHBondContact O-N 2.77Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 3.44Å; L373-I415 HydrophobicContact CD1-CG1 4.3Å; L373-I415 HydrophobicContact CD1-CG2 3.96Å; L373-D416 WeakPolarHBondContact CD1-OD1 3.13Å; L373-Y419 HydrophobicContact CD1-CD2 3.63Å; L373-Y419 HydrophobicContact CD1-CE2 3.49Å; L373-Y419 VanDerWaalsContact CD1-CE2 3.49Å; L373-Y419 HydrophobicContact CG-CE2 4.48Å
374V95.9Very high91Very high6 Ų628.9 Ų28.94%0.03615%0.15CC..Hα-helixtrans-63.6-42.4175.1176.50000111.3F183 A297 A300 K301 L335 E370 H371 K372 L376 A377 L378F183-V374 HydrophobicContact CE1-CG2 3.91Å; F183-V374 HydrophobicContact CE2-CG1 4.48Å; F183-V374 HydrophobicContact CZ-CB 4.24Å; F183-V374 HydrophobicContact CZ-CG1 4.22Å; F183-V374 HydrophobicContact CZ-CG2 3.84Å; A297-V374 HydrophobicContact CB-CG1 4.44Å; A300-V374 HydrophobicContact CB-CG1 3.52Å; K301-V374 HydrophobicContact CG-CG1 3.9Å; K301-V374 HydrophobicContact CG-CG2 4.05Å; L335-V374 HydrophobicContact CD1-CB 4.37Å; L335-V374 HydrophobicContact CD1-CG1 3.93Å; E370-V374 WeakPolarHBondContact O-CG2 3.31Å; E370-V374 PolarHBondContact O-N 3.38Å; E370-V374 VanDerWaalsContact O-N 3.09Å; H371-V374 PolarHBondContact O-N 2.89Å; K372-V374 VanDerWaalsContact C-N 3.31Å; K372-V374 PolarHBondContact O-N 3.41Å; V374-L376 PolarHBondContact O-N 2.66Å; V374-A377 PolarHBondContact O-N 2.84Å; V374-L378 WeakPolarHBondContact O-CB 3.28Å; V374-L378 PolarHBondContact O-N 3.14Å
375G96Very high92Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-58-46.2174.800000112.7S332 H371 K372 L378 A379S332-G375 PolarHBondContact OG-O 2.99Å; H371-G375 PolarHBondContact O-N 3.29Å; K372-G375 PolarHBondContact O-N 3.41Å; K372-G375 VanDerWaalsContact O-N 3.16Å; G375-L378 PolarHBondContact O-N 3.06Å; G375-A379 PolarHBondContact O-N 3.44Å
376L95Very high92.3Very high0 Ų027.7 Ų27.70%015%0.147CC..Hα-helixtrans-66.3-40.7176.4-70.4175.9000112.4L336 K372 L373 V374 L378 A379 H380 L400 F411 D416 Y419 L420L336-L376 HydrophobicContact CD1-CD2 4.25Å; L336-L376 HydrophobicContact CD2-CD2 3.84Å; L336-L376 HydrophobicContact CD2-CG 3.75Å; K372-L376 WeakPolarHBondContact O-CG 3.37Å; K372-L376 PolarHBondContact O-N 3.45Å; L373-L376 PolarHBondContact O-N 2.77Å; V374-L376 PolarHBondContact O-N 2.66Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 PolarHBondContact O-N 3.39Å; L376-A379 PolarHBondContact O-N 3.03Å; L376-H380 WeakPolarHBondContact O-CB 3.35Å; L376-H380 PolarHBondContact O-N 2.78Å; L376-L400 HydrophobicContact CD2-CD2 4.06Å; L376-F411 HydrophobicContact CD1-CE1 4.11Å; L376-D416 HydrophobicContact CD1-CB 3.72Å; L376-D416 WeakPolarHBondContact CD1-O 3.19Å; L376-Y419 HydrophobicContact CB-CD2 4.32Å; L376-L420 HydrophobicContact CD2-CB 4.19Å; L376-L420 HydrophobicContact CD2-CD1 4.1Å
377A96.6Very high92.5Very high0 Ų024.2 Ų24.20%013%0.13CC..Hα-helixtrans-62.1-40.9176.600000111.7I181 F183 L373 V374 H380 N381 Y419I181-A377 HydrophobicContact CB-CB 4.35Å; I181-A377 HydrophobicContact CD1-CB 4.06Å; I181-A377 HydrophobicContact CG2-CB 3.82Å; F183-A377 HydrophobicContact CE2-CB 3.87Å; F183-A377 HydrophobicContact CZ-CB 3.66Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 3.44Å; V374-A377 PolarHBondContact O-N 2.84Å; A377-H380 WeakPolarHBondContact O-CB 3.37Å; A377-H380 PolarHBondContact O-N 3.25Å; A377-N381 PolarHBondContact O-N 3.44Å; A377-N381 VanDerWaalsContact O-N 3.14Å; A377-Y419 HydrophobicContact CB-CD2 4.12Å; A377-Y419 HydrophobicContact CB-CE2 3.97Å
378L97.8Very high92.7Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-66.1-44.9175.3-174.459.1000111.3A300 L303 C304 L307 I328 I331 V374 G375 L376 H380 N381 I382A300-L378 HydrophobicContact CB-CD2 3.79Å; L303-L378 HydrophobicContact CB-CD1 4.18Å; C304-L378 HydrophobicContact CB-CD1 4.17Å; L307-L378 HydrophobicContact CD1-CD1 4.09Å; I328-L378 HydrophobicContact CG2-CD1 3.74Å; I328-L378 HydrophobicContact CG2-CD2 3.9Å; I328-L378 HydrophobicContact CG2-CG 4.04Å; I331-L378 HydrophobicContact CB-CD2 4.41Å; I331-L378 HydrophobicContact CG2-CD2 4.27Å; V374-L378 WeakPolarHBondContact O-CB 3.28Å; V374-L378 PolarHBondContact O-N 3.14Å; G375-L378 PolarHBondContact O-N 3.06Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 PolarHBondContact O-N 3.39Å; L378-H380 VanDerWaalsContact C-N 3.3Å; L378-H380 PolarHBondContact O-N 3.42Å; L378-N381 PolarHBondContact O-N 3.44Å; L378-N381 VanDerWaalsContact O-N 3.15Å; L378-I382 HydrophobicContact CG-CD1 4.1Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.38Å; L378-I382 PolarHBondContact O-N 2.74Å
379A97.5Very high92.8Very high0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-56.5-43.8175.400000112.2S332 G375 L376 N381 I382 S383 L396 L400 T423S332-A379 WeakPolarHBondContact OG-CB 3.43Å; G375-A379 PolarHBondContact O-N 3.44Å; L376-A379 PolarHBondContact O-N 3.03Å; A379-N381 PolarHBondContact O-N 3.26Å; A379-I382 WeakPolarHBondContact O-CB 3.25Å; A379-I382 PolarHBondContact O-N 3.09Å; A379-S383 PolarHBondContact O-N 2.76Å; A379-L396 HydrophobicContact CB-CD1 4.05Å; A379-L396 HydrophobicContact CB-CD2 4.19Å; A379-L400 HydrophobicContact CB-CD1 4.3Å; A379-T423 HydrophobicContact CB-CG2 4.05Å; A379-T423 WeakPolarHBondContact O-CG2 3.39Å
380H96Very high93.1Very high0 Ų023.9 Ų23.90%013%0.125CC..Hα-helixtrans-57.9-48.2175.4175.1-77.5000111.6R179 I181 L376 A377 L378 I382 S383 L384 T423 F426R179-H380 PolarHBondContact O-CE1 3.29Å; I181-H380 HydrophobicContact CD1-CB 3.67Å; I181-H380 VanDerWaalsContact CD1-CG 3.45Å; L376-H380 WeakPolarHBondContact O-CB 3.35Å; L376-H380 PolarHBondContact O-N 2.78Å; A377-H380 WeakPolarHBondContact O-CB 3.37Å; A377-H380 PolarHBondContact O-N 3.25Å; L378-H380 VanDerWaalsContact C-N 3.3Å; L378-H380 PolarHBondContact O-N 3.42Å; H380-I382 PolarHBondContact O-N 3.24Å; H380-S383 PolarHBondContact O-N 2.94Å; H380-S383 PolarHBondContact O-OG 2.72Å; H380-L384 PolarHBondContact O-N 2.91Å; H380-T423 WeakPolarHBondContact CA-OG1 3.4Å; H380-T423 WeakPolarHBondContact CB-OG1 3.39Å; H380-T423 PolarHBondContact N-OG1 3.46Å; H380-F426 AromaticContact CD2-CE2 3.75Å; H380-F426 AromaticContact CE1-CE2 3.87Å; H380-F426 AromaticContact NE2-CE2 3.36Å; H380-F426 WeakPolarHBondContact NE2-CE2 3.42Å; H380-F426 AromaticContact NE2-CZ 3.85Å
381N95.7Very high93.3Very high4 Ų424.4 Ų24.42%0.02113%0.132CC..Hα-helixtrans-68.2-34.7178.3-76.610.5000112.9P180 I181 C304 L307 A377 L378 A379 S383 L384 Y385P180-N381 WeakPolarHBondContact CA-OD1 3.2Å; I181-N381 PolarHBondContact N-OD1 2.88Å; I181-N381 PolarHBondContact O-ND2 3.27Å; C304-N381 PolarHBondContact O-ND2 3.5Å; C304-N381 PolarHBondContact SG-ND2 3.36Å; L307-N381 HydrophobicContact CB-CB 4.28Å; A377-N381 PolarHBondContact O-N 3.44Å; A377-N381 VanDerWaalsContact O-N 3.14Å; L378-N381 PolarHBondContact O-N 3.44Å; L378-N381 VanDerWaalsContact O-N 3.15Å; A379-N381 PolarHBondContact O-N 3.26Å; N381-S383 VanDerWaalsContact C-N 3.34Å; N381-S383 PolarHBondContact O-N 2.99Å; N381-L384 PolarHBondContact O-N 2.91Å; N381-Y385 PolarHBondContact O-N 2.92Å
382I95.9Very high93.4Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-59.1-45.6172.2-68.3165.1000110.4L307 I325 I328 M329 L378 A379 H380 L384 Y385 L388 L396L307-I382 HydrophobicContact CD1-CG1 4.01Å; I325-I382 HydrophobicContact CG2-CG2 4.05Å; I328-I382 HydrophobicContact CG2-CD1 4.07Å; I328-I382 HydrophobicContact CG2-CG1 4.24Å; M329-I382 HydrophobicContact CB-CD1 4.12Å; L378-I382 HydrophobicContact CG-CD1 4.1Å; L378-I382 VanDerWaalsContact O-CG1 3.28Å; L378-I382 WeakPolarHBondContact O-CG1 3.38Å; L378-I382 PolarHBondContact O-N 2.74Å; A379-I382 WeakPolarHBondContact O-CB 3.25Å; A379-I382 PolarHBondContact O-N 3.09Å; H380-I382 PolarHBondContact O-N 3.24Å; I382-L384 PolarHBondContact O-N 2.9Å; I382-Y385 VanDerWaalsContact O-CB 3.23Å; I382-Y385 WeakPolarHBondContact O-CB 3.25Å; I382-Y385 PolarHBondContact O-N 3.47Å; I382-L388 HydrophobicContact CG2-CD1 3.81Å; I382-L388 HydrophobicContact CG2-CD2 4.28Å; I382-L396 HydrophobicContact CB-CD2 4.3Å; I382-L396 HydrophobicContact CG2-CD2 3.97Å
383S95.3Very high93.6Very high0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-62.5-28.1-179.272.80000113.4A379 H380 N381 F426 R430A379-S383 PolarHBondContact O-N 2.76Å; H380-S383 PolarHBondContact O-N 2.94Å; H380-S383 PolarHBondContact O-OG 2.72Å; N381-S383 VanDerWaalsContact C-N 3.34Å; N381-S383 PolarHBondContact O-N 2.99Å; S383-F426 WeakPolarHBondContact OG-CD2 3.43Å; S383-R430 PolarHBondContact O-NH1 3.41Å; S383-R430 VanDerWaalsContact O-NH1 3.13Å
384L91.7Very high93.6Very high2 Ų222.6 Ų22.61%0.0113%0.125CC..Hα-helixtrans-80.1-15.2173.6-67.3175.2000113.1Y171 I174 P180 H380 N381 I382 F426Y171-L384 PolarHBondContact OH-O 3.04Å; I174-L384 HydrophobicContact CG2-CD2 3.84Å; P180-L384 HydrophobicContact CG-CD1 4.3Å; H380-L384 PolarHBondContact O-N 2.91Å; N381-L384 PolarHBondContact O-N 2.91Å; I382-L384 PolarHBondContact O-N 2.9Å; L384-F426 HydrophobicContact CD1-CE2 4.3Å; L384-F426 HydrophobicContact CD2-CD2 3.65Å; L384-F426 HydrophobicContact CD2-CE2 3.78Å; L384-F426 HydrophobicContact CD2-CG 4.41Å; L384-F426 HydrophobicContact CG-CD2 3.94Å; L384-F426 HydrophobicContact CG-CE2 4.05Å
385Y89.8Confident93.5Very high1 Ų125.5 Ų25.50%0.00414%0.138CC..  trans-71.1124.5-172.9-166.3-112.4000112.5L307 I325 N381 I382 T387 L388 R430L307-Y385 HydrophobicContact CD2-CD2 3.66Å; L307-Y385 HydrophobicContact CD2-CE2 3.75Å; L307-Y385 HydrophobicContact CD2-CG 4.2Å; I325-Y385 HydrophobicContact CD1-CD1 3.35Å; I325-Y385 HydrophobicContact CD1-CE1 3.47Å; I325-Y385 VanDerWaalsContact CD1-CE1 3.47Å; I325-Y385 HydrophobicContact CD1-CG 3.95Å; I325-Y385 HydrophobicContact CG1-CD1 3.62Å; I325-Y385 HydrophobicContact CG1-CE1 3.64Å; N381-Y385 PolarHBondContact O-N 2.92Å; I382-Y385 VanDerWaalsContact O-CB 3.23Å; I382-Y385 WeakPolarHBondContact O-CB 3.25Å; I382-Y385 PolarHBondContact O-N 3.47Å; Y385-T387 WeakPolarHBondContact CE1-OG1 3.43Å; Y385-T387 PolarHBondContact O-N 2.8Å; Y385-L388 PolarHBondContact O-N 3.05Å; Y385-R430 PolarHBondContact O-NH1 3.32Å; Y385-R430 PolarHBondContact O-NH2 2.8Å; Y385-R430 VanDerWaalsContact O-NH2 3.12Å
386P84.7Confident93.4Very high52 Ų5225.5 Ų25.534%0.33814%0.138SC..THydrogen-bonded Turntrans-61.7-22.7-168.3-26.734.1000116.2F311 R430F311-P386 WeakPolarHBondContact O-CD 3.26Å; F311-P386 WeakPolarHBondContact O-CG 3.36Å; P386-R430 PolarHBondContact O-NH2 2.73Å
387T85.2Confident93.3Very high45 Ų4525.5 Ų25.528%0.27614%0.138SC..THydrogen-bonded Turntrans-106.55.5-172.9710000114.7Y385 S389Y385-T387 WeakPolarHBondContact CE1-OG1 3.43Å; Y385-T387 PolarHBondContact O-N 2.8Å; T387-S389 PolarHBondContact O-N 3.28Å
388L91.2Very high93Very high7 Ų727.2 Ų27.24%0.03715%0.15CC..  trans-51.7126.2169.4178.969.1000110.7I325 I382 Y385 E392 A393 L427 R430 F431I325-L388 HydrophobicContact CG2-CD1 3.77Å; I382-L388 HydrophobicContact CG2-CD1 3.81Å; I382-L388 HydrophobicContact CG2-CD2 4.28Å; Y385-L388 PolarHBondContact O-N 3.05Å; L388-E392 HydrophobicContact CD1-CB 3.56Å; L388-A393 HydrophobicContact CD2-CB 4.1Å; L388-A393 HydrophobicContact CG-CB 4.28Å; L388-L427 HydrophobicContact CD2-CD2 3.74Å; L388-R430 PolarHBondContact O-NH2 2.83Å; L388-F431 HydrophobicContact CD2-CE2 3.99Å; L388-F431 HydrophobicContact CD2-CZ 4.42Å; L388-F431 HydrophobicContact CG-CE2 4.36Å; L388-F431 HydrophobicContact CG-CZ 4.32Å
389S91.9Very high92.8Very high47 Ų4728.7 Ų28.733%0.32916%0.156SC..  trans-84.8162.8177.470.50000112.1T387 N391 E392 A393T387-S389 PolarHBondContact O-N 3.28Å; S389-N391 PolarHBondContact O-N 2.86Å; S389-E392 VanDerWaalsContact CB-OE2 3.31Å; S389-E392 WeakPolarHBondContact CB-OE2 3.3Å; S389-E392 PolarHBondContact N-OE2 2.98Å; S389-E392 PolarHBondContact O-N 3.41Å; S389-E392 VanDerWaalsContact OG-CG 3.25Å; S389-E392 WeakPolarHBondContact OG-CG 3.48Å; S389-E392 PolarHBondContact OG-N 3.5Å; S389-E392 PolarHBondContact OG-OE2 3.03Å; S389-A393 WeakPolarHBondContact O-CB 3.33Å; S389-A393 PolarHBondContact O-N 3.43Å
390E93.4Very high92.5Very high94 Ų9428.7 Ų28.744%0.43916%0.156SC..Hα-helixtrans-63.8-38.9178.1-174.6172.1-170.500112.5A393 L394 F431 S433E390-A393 PolarHBondContact O-N 3.49Å; E390-L394 HydrophobicContact CG-CD1 3.96Å; E390-L394 HydrophobicContact CG-CG 4.45Å; E390-L394 WeakPolarHBondContact O-CB 3.44Å; E390-L394 VanDerWaalsContact O-CG 3.32Å; E390-L394 WeakPolarHBondContact O-CG 3.37Å; E390-L394 PolarHBondContact O-N 3.4Å; E390-F431 HydrophobicContact CB-CD1 3.92Å; E390-F431 HydrophobicContact CB-CE1 4.03Å; E390-F431 HydrophobicContact CG-CD1 4.03Å; E390-S433 WeakPolarHBondContact OE1-CB 3.45Å; E390-S433 PolarHBondContact OE1-OG 3.44Å
391N94.1Very high92.2Very high128 Ų12828.7 Ų28.768%0.68416%0.156SC*.Hα-helixtrans-64.4-44.2178.4-67.8-20.9000112.1S389 A393 L394 E395S389-N391 PolarHBondContact O-N 2.86Å; N391-A393 VanDerWaalsContact C-N 3.33Å; N391-L394 PolarHBondContact O-N 3.35Å; N391-E395 PolarHBondContact O-N 3.11Å
392E94.2Very high91.8Very high35 Ų3532.2 Ų32.216%0.16417%0.172CC..Hα-helixtrans-64.7-40.4175.4-67.5161.1147.700110.8N326 M329 L388 S389 L394 E395 L396N326-E392 PolarHBondContact N-OE1 3.27Å; M329-E392 HydrophobicContact SD-CB 4.18Å; L388-E392 HydrophobicContact CD1-CB 3.56Å; S389-E392 VanDerWaalsContact CB-OE2 3.31Å; S389-E392 WeakPolarHBondContact CB-OE2 3.3Å; S389-E392 PolarHBondContact N-OE2 2.98Å; S389-E392 PolarHBondContact O-N 3.41Å; S389-E392 VanDerWaalsContact OG-CG 3.25Å; S389-E392 WeakPolarHBondContact OG-CG 3.48Å; S389-E392 PolarHBondContact OG-N 3.5Å; S389-E392 PolarHBondContact OG-OE2 3.03Å; E392-L394 PolarHBondContact O-N 3.14Å; E392-E395 PolarHBondContact O-N 2.58Å; E392-L396 PolarHBondContact O-N 2.87Å
393A94.5Very high91.4Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-64.3-38.1176.100000112.9L388 S389 E390 N391 G397 L427 F431L388-A393 HydrophobicContact CD2-CB 4.1Å; L388-A393 HydrophobicContact CG-CB 4.28Å; S389-A393 WeakPolarHBondContact O-CB 3.33Å; S389-A393 PolarHBondContact O-N 3.43Å; E390-A393 PolarHBondContact O-N 3.49Å; N391-A393 VanDerWaalsContact C-N 3.33Å; A393-G397 WeakPolarHBondContact O-CA 3.45Å; A393-G397 PolarHBondContact O-N 3.25Å; A393-L427 HydrophobicContact CB-CD2 4.04Å; A393-F431 HydrophobicContact CB-CD1 4.48Å; A393-F431 HydrophobicContact CB-CD2 3.39Å; A393-F431 HydrophobicContact CB-CE1 4.39Å; A393-F431 HydrophobicContact CB-CE2 3.27Å; A393-F431 HydrophobicContact CB-CG 4.01Å; A393-F431 HydrophobicContact CB-CZ 3.81Å
394L93.5Very high90.9Very high53 Ų5333.7 Ų33.728%0.27718%0.18SC..Hα-helixtrans-65.1-44.9174.8-79.2163.2000111.6E390 N391 E392 S398 L434E390-L394 HydrophobicContact CG-CD1 3.96Å; E390-L394 HydrophobicContact CG-CG 4.45Å; E390-L394 WeakPolarHBondContact O-CB 3.44Å; E390-L394 VanDerWaalsContact O-CG 3.32Å; E390-L394 WeakPolarHBondContact O-CG 3.37Å; E390-L394 PolarHBondContact O-N 3.4Å; N391-L394 PolarHBondContact O-N 3.35Å; E392-L394 PolarHBondContact O-N 3.14Å; L394-S398 WeakPolarHBondContact O-CB 3.38Å; L394-S398 PolarHBondContact O-N 2.8Å; L394-S398 PolarHBondContact O-OG 3.47Å; L394-L434 HydrophobicContact CB-CD2 4.24Å; L394-L434 HydrophobicContact CD2-CD2 3.26Å; L394-L434 HydrophobicContact CG-CD2 3.62Å
395E92.6Very high90.5Very high67 Ų6736.8 Ų36.831%0.31320%0.199SC..Hα-helixtrans-61.1-54.9177-172.2177.5168.700111.2M329 Q330 L333 N391 E392 S398 Y399M329-E395 HydrophobicContact CE-CB 4.02Å; M329-E395 HydrophobicContact CE-CG 3.93Å; M329-E395 WeakPolarHBondContact CE-OE2 3.22Å; M329-E395 HydrophobicContact SD-CB 4.3Å; Q330-E395 PolarHBondContact NE2-OE1 3.19Å; L333-E395 HydrophobicContact CD1-CG 4.33Å; N391-E395 PolarHBondContact O-N 3.11Å; E392-E395 PolarHBondContact O-N 2.58Å; E395-S398 PolarHBondContact O-OG 3.02Å; E395-Y399 PolarHBondContact O-N 3.11Å
396L95.3Very high90Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-61.6-50.9178.7179.858.8000111.8M329 L333 A379 I382 E392 Y399 L400 L427M329-L396 HydrophobicContact CG-CB 4.05Å; M329-L396 HydrophobicContact CG-CD1 4.29Å; M329-L396 HydrophobicContact SD-CB 3.75Å; L333-L396 HydrophobicContact CD2-CD1 3.99Å; L333-L396 HydrophobicContact CG-CD1 4.44Å; A379-L396 HydrophobicContact CB-CD1 4.05Å; A379-L396 HydrophobicContact CB-CD2 4.19Å; I382-L396 HydrophobicContact CB-CD2 4.3Å; I382-L396 HydrophobicContact CG2-CD2 3.97Å; E392-L396 PolarHBondContact O-N 2.87Å; L396-Y399 PolarHBondContact O-N 3.09Å; L396-L400 HydrophobicContact CD1-CD1 4.09Å; L396-L400 HydrophobicContact CD1-CG 4.21Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.4Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.04Å; L396-L427 HydrophobicContact CD2-CD1 4.47Å; L396-L427 HydrophobicContact CG-CD1 4.44Å
397G92.5Very high89.2Confident1 Ų138.4 Ų38.41%0.0121%0.208CC..Hα-helixtrans-69.8-35.1-172.300000113.1A393 Y399 L400 L401A393-G397 WeakPolarHBondContact O-CA 3.45Å; A393-G397 PolarHBondContact O-N 3.25Å; G397-Y399 VanDerWaalsContact C-N 3.31Å; G397-Y399 PolarHBondContact O-N 3.1Å; G397-L400 PolarHBondContact O-N 3.31Å; G397-L401 WeakPolarHBondContact O-CB 3.21Å; G397-L401 WeakPolarHBondContact O-CG 3.25Å; G397-L401 PolarHBondContact O-N 3.24Å
398S91.3Very high87.6Confident36 Ų3645 Ų4525%0.25224%0.236SC..Hα-helixtrans-60-41.717464.70000112.1L394 E395 H402L394-S398 WeakPolarHBondContact O-CB 3.38Å; L394-S398 PolarHBondContact O-N 2.8Å; L394-S398 PolarHBondContact O-OG 3.47Å; E395-S398 PolarHBondContact O-OG 3.02Å; S398-H402 WeakPolarHBondContact O-CB 3.49Å; S398-H402 PolarHBondContact O-N 2.89Å
399Y91.7Very high85.6Confident30 Ų3054 Ų5412%0.11828%0.275CS..Hα-helixtrans-71.1-39.1176.4-174-116.7000112.6L333 L336 H338 E395 L396 G397 L401 H402 L403L333-Y399 HydrophobicContact CD2-CD1 3.48Å; L333-Y399 VanDerWaalsContact CD2-CD1 3.48Å; L333-Y399 HydrophobicContact CD2-CE1 4.33Å; L333-Y399 HydrophobicContact CD2-CG 4.02Å; L336-Y399 HydrophobicContact CB-CD1 4.47Å; L336-Y399 HydrophobicContact CB-CE1 3.67Å; L336-Y399 PolarHBondContact O-OH 2.83Å; H338-Y399 HydrophobicContact CB-CD1 4.05Å; H338-Y399 HydrophobicContact CB-CD2 4.46Å; H338-Y399 HydrophobicContact CB-CE1 3.65Å; H338-Y399 HydrophobicContact CB-CE2 4.13Å; H338-Y399 HydrophobicContact CB-CG 4.41Å; H338-Y399 AromaticContact CD2-CD2 3.3Å; H338-Y399 WeakPolarHBondContact CD2-CD2 3.37Å; H338-Y399 AromaticContact CD2-CE2 3.49Å; H338-Y399 VanDerWaalsContact CD2-CE2 3.49Å; H338-Y399 WeakPolarHBondContact CD2-CE2 3.38Å; H338-Y399 AromaticContact CD2-CG 3.68Å; H338-Y399 AromaticContact CD2-CZ 3.99Å; H338-Y399 PolarHBondContact N-OH 2.98Å; E395-Y399 PolarHBondContact O-N 3.11Å; L396-Y399 PolarHBondContact O-N 3.09Å; G397-Y399 VanDerWaalsContact C-N 3.31Å; G397-Y399 PolarHBondContact O-N 3.1Å; Y399-L401 VanDerWaalsContact C-N 3.34Å; Y399-L401 PolarHBondContact O-N 2.8Å; Y399-H402 WeakPolarHBondContact O-CB 3.27Å; Y399-H402 PolarHBondContact O-N 2.8Å; Y399-L403 HydrophobicContact CD1-CD1 3.75Å; Y399-L403 HydrophobicContact CD1-CG 4.17Å; Y399-L403 HydrophobicContact CE1-CD1 3.43Å; Y399-L403 VanDerWaalsContact CE1-CD1 3.43Å; Y399-L403 HydrophobicContact CE1-CD2 4.22Å; Y399-L403 HydrophobicContact CE1-CG 3.82Å; Y399-L403 HydrophobicContact CE2-CD2 4.45Å; Y399-L403 HydrophobicContact CE2-CG 4.26Å; Y399-L403 WeakPolarHBondContact O-CB 3.43Å; Y399-L403 WeakPolarHBondContact O-CG 3.29Å; Y399-L403 PolarHBondContact O-N 2.94Å
400L92.3Very high83.4Confident0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-63.9-38.4174.9-66.6176.6000112.2L336 L376 A379 L396 G397 L403 A404 L420 T423 I424 L427L336-L400 HydrophobicContact CD1-CD2 3.82Å; L376-L400 HydrophobicContact CD2-CD2 4.06Å; A379-L400 HydrophobicContact CB-CD1 4.3Å; L396-L400 HydrophobicContact CD1-CD1 4.09Å; L396-L400 HydrophobicContact CD1-CG 4.21Å; L396-L400 HydrophobicContact CG-CD1 3.91Å; L396-L400 HydrophobicContact CG-CG 4.4Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.04Å; G397-L400 PolarHBondContact O-N 3.31Å; L400-L403 HydrophobicContact CD2-CD1 4.31Å; L400-L403 PolarHBondContact O-N 3.33Å; L400-A404 WeakPolarHBondContact O-CB 3.47Å; L400-A404 PolarHBondContact O-N 2.96Å; L400-L420 HydrophobicContact CB-CD1 3.79Å; L400-L420 HydrophobicContact CD2-CD1 3.69Å; L400-L420 HydrophobicContact CG-CD1 4.23Å; L400-T423 HydrophobicContact CD1-CG2 3.39Å; L400-I424 HydrophobicContact CB-CD1 4.42Å; L400-I424 HydrophobicContact CB-CG1 4.04Å; L400-L427 HydrophobicContact CD1-CD1 4.24Å
401L89.9Confident81.5Confident1 Ų152 Ų521%0.00527%0.267CS..Hα-helixtrans-63.9-46.4172.8-71.9170.6000111.1G397 Y399 L403 A404 V405 I424 L434 L437 A438 Y441 I443G397-L401 WeakPolarHBondContact O-CB 3.21Å; G397-L401 WeakPolarHBondContact O-CG 3.25Å; G397-L401 PolarHBondContact O-N 3.24Å; Y399-L401 VanDerWaalsContact C-N 3.34Å; Y399-L401 PolarHBondContact O-N 2.8Å; L401-L403 VanDerWaalsContact C-N 3.31Å; L401-L403 PolarHBondContact O-N 3.08Å; L401-A404 PolarHBondContact O-N 3Å; L401-V405 WeakPolarHBondContact O-CG2 3.48Å; L401-V405 PolarHBondContact O-N 3.04Å; L401-V405 VanDerWaalsContact O-N 3.08Å; L401-I424 HydrophobicContact CD2-CD1 4.28Å; L401-I424 HydrophobicContact CD2-CG1 4.45Å; L401-I424 HydrophobicContact CD2-CG2 3.78Å; L401-L434 HydrophobicContact CD1-CD1 4.23Å; L401-L437 HydrophobicContact CD1-CB 4.07Å; L401-L437 HydrophobicContact CD1-CD2 3.91Å; L401-L437 HydrophobicContact CD1-CG 3.8Å; L401-A438 HydrophobicContact CD1-CB 4.13Å; L401-A438 HydrophobicContact CD2-CB 3.68Å; L401-Y441 HydrophobicContact CB-CD1 4.22Å; L401-Y441 HydrophobicContact CB-CD2 4.27Å; L401-Y441 HydrophobicContact CB-CG 4.04Å; L401-Y441 HydrophobicContact CD1-CD2 4.32Å; L401-I443 HydrophobicContact CD2-CD1 3.58Å
402H86.9Confident79.4Confident78 Ų7853 Ų5336%0.36127%0.265SS..Hα-helixtrans-56.3-46.7173.3176.873.8000111.4S398 Y399 A404 V405 T406 Y441S398-H402 WeakPolarHBondContact O-CB 3.49Å; S398-H402 PolarHBondContact O-N 2.89Å; Y399-H402 WeakPolarHBondContact O-CB 3.27Å; Y399-H402 PolarHBondContact O-N 2.8Å; H402-A404 PolarHBondContact O-N 3.5Å; H402-V405 PolarHBondContact O-N 3.46Å; H402-T406 WeakPolarHBondContact CE1-CG2 3.16Å; H402-T406 WeakPolarHBondContact O-CB 3.35Å; H402-T406 WeakPolarHBondContact O-CG2 3.24Å; H402-T406 PolarHBondContact O-N 2.92Å; H402-T406 PolarHBondContact O-OG1 3.32Å; H402-Y441 HydrophobicContact CB-CE1 3.84Å
403L86.9Confident77.9Confident31 Ų3157 Ų5716%0.16228%0.279CS..Hα-helixtrans-60-43.5176.7-78.4174.3000112L336 Y399 L400 L401 V405 S407L336-L403 HydrophobicContact CB-CD1 4.15Å; L336-L403 HydrophobicContact CD1-CD1 4.13Å; Y399-L403 HydrophobicContact CD1-CD1 3.75Å; Y399-L403 HydrophobicContact CD1-CG 4.17Å; Y399-L403 HydrophobicContact CE1-CD1 3.43Å; Y399-L403 VanDerWaalsContact CE1-CD1 3.43Å; Y399-L403 HydrophobicContact CE1-CD2 4.22Å; Y399-L403 HydrophobicContact CE1-CG 3.82Å; Y399-L403 HydrophobicContact CE2-CD2 4.45Å; Y399-L403 HydrophobicContact CE2-CG 4.26Å; Y399-L403 WeakPolarHBondContact O-CB 3.43Å; Y399-L403 WeakPolarHBondContact O-CG 3.29Å; Y399-L403 PolarHBondContact O-N 2.94Å; L400-L403 HydrophobicContact CD2-CD1 4.31Å; L400-L403 PolarHBondContact O-N 3.33Å; L401-L403 VanDerWaalsContact C-N 3.31Å; L401-L403 PolarHBondContact O-N 3.08Å; L403-V405 VanDerWaalsContact C-N 3.34Å; L403-V405 PolarHBondContact O-N 3.44Å; L403-S407 WeakPolarHBondContact O-CB 3.37Å; L403-S407 PolarHBondContact O-N 3.24Å; L403-S407 PolarHBondContact O-OG 2.84Å
404A85Confident76.7Confident0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-61.2-42.5179.400000112.2L400 L401 H402 S407 L420 I424 I443 F446L400-A404 WeakPolarHBondContact O-CB 3.47Å; L400-A404 PolarHBondContact O-N 2.96Å; L401-A404 PolarHBondContact O-N 3Å; H402-A404 PolarHBondContact O-N 3.5Å; A404-S407 PolarHBondContact O-OG 2.77Å; A404-L420 HydrophobicContact CB-CD2 3.88Å; A404-I424 HydrophobicContact CB-CD1 3.95Å; A404-I443 HydrophobicContact CB-CD1 4.26Å; A404-F446 HydrophobicContact CB-CD1 4.25Å; A404-F446 HydrophobicContact CB-CE1 4.02Å; A404-F446 WeakPolarHBondContact O-CD2 3.4Å; A404-F446 WeakPolarHBondContact O-CE2 3.41Å
405V83.5Confident76.1Confident66 Ų6660 Ų6040%0.430%0.298SS..Hα-helixtrans-83.2-33.5-175.8177.90000112.4L401 H402 L403 Y441L401-V405 WeakPolarHBondContact O-CG2 3.48Å; L401-V405 PolarHBondContact O-N 3.04Å; L401-V405 VanDerWaalsContact O-N 3.08Å; H402-V405 PolarHBondContact O-N 3.46Å; L403-V405 VanDerWaalsContact C-N 3.34Å; L403-V405 PolarHBondContact O-N 3.44Å; V405-Y441 WeakPolarHBondContact CG2-O 3.44Å
406T80Confident75.6Confident69 Ų6957.1 Ų57.142%0.42328%0.284SS..Hα-helixtrans-92.6-12.3-17860.20000114.3H402 E408H402-T406 WeakPolarHBondContact CE1-CG2 3.16Å; H402-T406 WeakPolarHBondContact O-CB 3.35Å; H402-T406 WeakPolarHBondContact O-CG2 3.24Å; H402-T406 PolarHBondContact O-N 2.92Å; H402-T406 PolarHBondContact O-OG1 3.32Å; T406-E408 VanDerWaalsContact C-N 3.28Å; T406-E408 PolarHBondContact O-N 3.26Å
407S68Low75Confident18 Ų1857.6 Ų57.613%0.12629%0.287CS..  trans-66.786.6174.158.80000110.5L403 A404 K409 S410 F411L403-S407 WeakPolarHBondContact O-CB 3.37Å; L403-S407 PolarHBondContact O-N 3.24Å; L403-S407 PolarHBondContact O-OG 2.84Å; A404-S407 PolarHBondContact O-OG 2.77Å; S407-K409 PolarHBondContact O-N 3.42Å; S407-S410 WeakPolarHBondContact CB-OG 3.33Å; S407-F411 VanDerWaalsContact OG-CE2 3.29Å; S407-F411 WeakPolarHBondContact OG-CE2 2.95Å
408E50Low74.7Confident183 Ų18358 Ų5886%0.85529%0.29SS*.SBendtrans-60.4-14.8-177.4-79.2-169.4162.400114.5T406T406-E408 VanDerWaalsContact C-N 3.28Å; T406-E408 PolarHBondContact O-N 3.26Å
409K50.3Low74.7Confident196 Ų19658.1 Ų58.185%0.85229%0.285SS*.SBendtrans175.918.2177.2-97.4143.8-163.5-177.30113S407S407-K409 PolarHBondContact O-N 3.42Å
410S45.9Very low74.6Confident62 Ų6256.7 Ų56.743%0.43428%0.279SS..  trans-83.4-15.6-163.348.40000115.8S407 K412S407-S410 WeakPolarHBondContact CB-OG 3.33Å; S410-K412 PolarHBondContact O-N 3.21Å
411F53.2Low74.5Confident37 Ų3756.7 Ų56.716%0.16228%0.279CS..  trans-82.172.6168.3-56.4-58.7000109.3L376 S407 Y413 D416 T417 L420L376-F411 HydrophobicContact CD1-CE1 4.11Å; S407-F411 VanDerWaalsContact OG-CE2 3.29Å; S407-F411 WeakPolarHBondContact OG-CE2 2.95Å; F411-Y413 PolarHBondContact O-N 3.05Å; F411-D416 HydrophobicContact CB-CB 4.17Å; F411-D416 HydrophobicContact CD1-CB 3.36Å; F411-D416 HydrophobicContact CE1-CB 4.12Å; F411-D416 HydrophobicContact CG-CB 4.08Å; F411-T417 VanDerWaalsContact CB-OG1 3.25Å; F411-T417 WeakPolarHBondContact CB-OG1 3.41Å; F411-L420 HydrophobicContact CD2-CD2 4.25Å; F411-L420 HydrophobicContact CE1-CD2 4.37Å; F411-L420 HydrophobicContact CE2-CD2 3.32Å; F411-L420 HydrophobicContact CZ-CD2 3.4Å; F411-L420 VanDerWaalsContact CZ-CD2 3.4Å
412K51Low74.6Confident150 Ų15058.6 Ų58.665%0.65229%0.286SS*.  trans-56.5-14.3170.9-75.7-176.5174.81800112.9S410S410-K412 PolarHBondContact O-N 3.21Å
413Y61.1Low75Confident118 Ų11854.9 Ų54.946%0.46327%0.269SS..SBendtrans-123.3123.5-174.7-56.3-70.7000110P369 F411 I415 D416P369-Y413 HydrophobicContact CB-CE2 3.95Å; P369-Y413 HydrophobicContact CG-CE2 4.48Å; F411-Y413 PolarHBondContact O-N 3.05Å; Y413-I415 PolarHBondContact O-N 3.09Å; Y413-I415 VanDerWaalsContact O-N 3.07Å; Y413-D416 PolarHBondContact O-N 3.14Å
414P70.4Confident75.4Confident44 Ų4453.7 Ų53.729%0.28626%0.263SS..Hα-helixtrans-53.5-31.6179.3-27.733.7000113.8D416 T417 T418 T513 E516P414-D416 VanDerWaalsContact C-N 3.33Å; P414-D416 PolarHBondContact O-N 3.43Å; P414-T417 WeakPolarHBondContact O-CB 3.32Å; P414-T417 PolarHBondContact O-N 3.35Å; P414-T418 PolarHBondContact O-N 2.98Å; P414-T418 PolarHBondContact O-OG1 3.42Å; P414-T513 HydrophobicContact CB-CG2 3.75Å; P414-E516 WeakPolarHBondContact CA-OE1 3.3Å; P414-E516 WeakPolarHBondContact CB-OE1 3.48Å
415I79.7Confident75.7Confident74 Ų7454.1 Ų54.138%0.37926%0.264SS..Hα-helixtrans-62.8-36.1179.1-165.2161.1000113.3L373 Y413 T418 Y419L373-I415 HydrophobicContact CD1-CG1 4.3Å; L373-I415 HydrophobicContact CD1-CG2 3.96Å; Y413-I415 PolarHBondContact O-N 3.09Å; Y413-I415 VanDerWaalsContact O-N 3.07Å; I415-T418 WeakPolarHBondContact O-CB 3.49Å; I415-T418 PolarHBondContact O-N 2.97Å; I415-Y419 HydrophobicContact CD1-CE1 4.39Å; I415-Y419 HydrophobicContact CG1-CD1 4.38Å; I415-Y419 HydrophobicContact CG1-CE1 3.89Å; I415-Y419 HydrophobicContact CG1-CE2 4.2Å; I415-Y419 PolarHBondContact O-N 3.22Å
416D83.1Confident76.3Confident5 Ų551 Ų513%0.02725%0.245CC..Hα-helixtrans-65.2-47.3178.1-60.3-3.1000109.4L373 L376 F411 Y413 P414 T418 Y419 L420L373-D416 WeakPolarHBondContact CD1-OD1 3.13Å; L376-D416 HydrophobicContact CD1-CB 3.72Å; L376-D416 WeakPolarHBondContact CD1-O 3.19Å; F411-D416 HydrophobicContact CB-CB 4.17Å; F411-D416 HydrophobicContact CD1-CB 3.36Å; F411-D416 HydrophobicContact CE1-CB 4.12Å; F411-D416 HydrophobicContact CG-CB 4.08Å; Y413-D416 PolarHBondContact O-N 3.14Å; P414-D416 VanDerWaalsContact C-N 3.33Å; P414-D416 PolarHBondContact O-N 3.43Å; D416-T418 VanDerWaalsContact C-N 3.28Å; D416-T418 PolarHBondContact O-N 2.97Å; D416-Y419 PolarHBondContact O-N 2.9Å; D416-Y419 VanDerWaalsContact O-N 3.16Å; D416-L420 WeakPolarHBondContact O-CB 3.11Å; D416-L420 PolarHBondContact O-N 3.18Å
417T83.1Confident77Confident11 Ų1147.7 Ų47.77%0.06723%0.225CC..Hα-helixtrans-58.4-41.8174.6-52.50000111F411 P414 Y419 L420 L421 L450 E516F411-T417 VanDerWaalsContact CB-OG1 3.25Å; F411-T417 WeakPolarHBondContact CB-OG1 3.41Å; P414-T417 WeakPolarHBondContact O-CB 3.32Å; P414-T417 PolarHBondContact O-N 3.35Å; T417-Y419 PolarHBondContact O-N 3.36Å; T417-L420 PolarHBondContact O-N 3.38Å; T417-L421 HydrophobicContact CG2-CD1 3.8Å; T417-L421 HydrophobicContact CG2-CG 4.15Å; T417-L421 VanDerWaalsContact O-CB 3.3Å; T417-L421 WeakPolarHBondContact O-CB 3.45Å; T417-L421 VanDerWaalsContact O-CG 3.26Å; T417-L421 WeakPolarHBondContact O-CG 3.33Å; T417-L421 PolarHBondContact O-N 3.46Å; T417-L450 HydrophobicContact CG2-CD1 4.17Å; T417-E516 HydrophobicContact CG2-CG 4.06Å
418T85Confident78.2Confident10 Ų1046.9 Ų46.96%0.06122%0.22CC..Hα-helixtrans-57.9-49.2175.5-62.90000111.3P414 I415 D416 R422 F515 E516P414-T418 PolarHBondContact O-N 2.98Å; P414-T418 PolarHBondContact O-OG1 3.42Å; I415-T418 WeakPolarHBondContact O-CB 3.49Å; I415-T418 PolarHBondContact O-N 2.97Å; D416-T418 VanDerWaalsContact C-N 3.28Å; D416-T418 PolarHBondContact O-N 2.97Å; T418-R422 VanDerWaalsContact O-CB 3.26Å; T418-R422 WeakPolarHBondContact O-CB 3.41Å; T418-R422 VanDerWaalsContact O-CG 3.23Å; T418-R422 WeakPolarHBondContact O-CG 3.16Å; T418-R422 PolarHBondContact O-N 3.14Å; T418-F515 HydrophobicContact CG2-CB 4.38Å; T418-E516 VanDerWaalsContact OG1-CG 3.27Å; T418-E516 WeakPolarHBondContact OG1-CG 3.43Å; T418-E516 PolarHBondContact OG1-OE1 3.31Å
419Y91.1Very high80.3Confident38 Ų3839.1 Ų39.115%0.14919%0.185CC..Hα-helixtrans-69-42.2-176.8-70.6-0.2000111.5I181 L373 L376 A377 I415 D416 T417 T423I181-Y419 HydrophobicContact CD1-CD1 3.68Å; I181-Y419 HydrophobicContact CD1-CD2 3.74Å; I181-Y419 HydrophobicContact CD1-CE1 3.53Å; I181-Y419 HydrophobicContact CD1-CE2 3.59Å; I181-Y419 HydrophobicContact CD1-CG 3.78Å; I181-Y419 VanDerWaalsContact CD1-CZ 3.48Å; I181-Y419 HydrophobicContact CG1-CE1 4.07Å; I181-Y419 HydrophobicContact CG1-CE2 4.42Å; I181-Y419 HydrophobicContact CG2-CE2 4.3Å; L373-Y419 HydrophobicContact CD1-CD2 3.63Å; L373-Y419 HydrophobicContact CD1-CE2 3.49Å; L373-Y419 VanDerWaalsContact CD1-CE2 3.49Å; L373-Y419 HydrophobicContact CG-CE2 4.48Å; L376-Y419 HydrophobicContact CB-CD2 4.32Å; A377-Y419 HydrophobicContact CB-CD2 4.12Å; A377-Y419 HydrophobicContact CB-CE2 3.97Å; I415-Y419 HydrophobicContact CD1-CE1 4.39Å; I415-Y419 HydrophobicContact CG1-CD1 4.38Å; I415-Y419 HydrophobicContact CG1-CE1 3.89Å; I415-Y419 HydrophobicContact CG1-CE2 4.2Å; I415-Y419 PolarHBondContact O-N 3.22Å; D416-Y419 PolarHBondContact O-N 2.9Å; D416-Y419 VanDerWaalsContact O-N 3.16Å; T417-Y419 PolarHBondContact O-N 3.36Å; Y419-T423 WeakPolarHBondContact O-CB 3.31Å; Y419-T423 PolarHBondContact O-N 3.39Å; Y419-T423 PolarHBondContact O-OG1 3.2Å
420L91Very high82.3Confident0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-58.8-55.3175.8179.163.6000111.5L376 L400 A404 F411 D416 T417 R422 T423 I424L376-L420 HydrophobicContact CD2-CB 4.19Å; L376-L420 HydrophobicContact CD2-CD1 4.1Å; L400-L420 HydrophobicContact CB-CD1 3.79Å; L400-L420 HydrophobicContact CD2-CD1 3.69Å; L400-L420 HydrophobicContact CG-CD1 4.23Å; A404-L420 HydrophobicContact CB-CD2 3.88Å; F411-L420 HydrophobicContact CD2-CD2 4.25Å; F411-L420 HydrophobicContact CE1-CD2 4.37Å; F411-L420 HydrophobicContact CE2-CD2 3.32Å; F411-L420 HydrophobicContact CZ-CD2 3.4Å; F411-L420 VanDerWaalsContact CZ-CD2 3.4Å; D416-L420 WeakPolarHBondContact O-CB 3.11Å; D416-L420 PolarHBondContact O-N 3.18Å; T417-L420 PolarHBondContact O-N 3.38Å; L420-R422 VanDerWaalsContact C-N 3.33Å; L420-R422 PolarHBondContact O-N 3.19Å; L420-T423 PolarHBondContact O-N 3.32Å; L420-T423 VanDerWaalsContact O-N 3.14Å; L420-I424 HydrophobicContact CD1-CD1 3.86Å; L420-I424 HydrophobicContact CD1-CG1 4.34Å; L420-I424 HydrophobicContact CG-CD1 3.86Å; L420-I424 WeakPolarHBondContact O-CG1 3.34Å; L420-I424 PolarHBondContact O-N 2.95Å
421L90Very high84.6Confident0 Ų029.9 Ų29.90%014%0.136CC..Hα-helixtrans-63.5-38.8-177.7-70.5-178.4000112.2T417 T423 Y425 F446 L447 L450 I519 A520 L523T417-L421 HydrophobicContact CG2-CD1 3.8Å; T417-L421 HydrophobicContact CG2-CG 4.15Å; T417-L421 VanDerWaalsContact O-CB 3.3Å; T417-L421 WeakPolarHBondContact O-CB 3.45Å; T417-L421 VanDerWaalsContact O-CG 3.26Å; T417-L421 WeakPolarHBondContact O-CG 3.33Å; T417-L421 PolarHBondContact O-N 3.46Å; L421-T423 VanDerWaalsContact C-N 3.34Å; L421-Y425 VanDerWaalsContact O-CB 3.24Å; L421-Y425 WeakPolarHBondContact O-CB 3.39Å; L421-Y425 PolarHBondContact O-N 2.96Å; L421-F446 HydrophobicContact CD2-CE1 3.94Å; L421-L447 HydrophobicContact CD2-CD2 3.71Å; L421-L450 HydrophobicContact CD1-CD1 3.97Å; L421-I519 HydrophobicContact CB-CG2 3.99Å; L421-A520 HydrophobicContact CD1-CB 4.19Å; L421-L523 HydrophobicContact CD2-CD2 4.49Å
422R91.9Very high86.4Confident40 Ų4031.8 Ų31.815%0.15115%0.152CC..Hα-helixtrans-57.2-50.2172.2-85.7174.6-171.2-169.74.6111.3T418 L420 Y425 F426 F515 I519T418-R422 VanDerWaalsContact O-CB 3.26Å; T418-R422 WeakPolarHBondContact O-CB 3.41Å; T418-R422 VanDerWaalsContact O-CG 3.23Å; T418-R422 WeakPolarHBondContact O-CG 3.16Å; T418-R422 PolarHBondContact O-N 3.14Å; L420-R422 VanDerWaalsContact C-N 3.33Å; L420-R422 PolarHBondContact O-N 3.19Å; R422-Y425 PolarHBondContact O-N 3.48Å; R422-F426 HydrophobicContact CB-CE1 4.28Å; R422-F426 HydrophobicContact CB-CE2 4.13Å; R422-F426 HydrophobicContact CB-CZ 3.83Å; R422-F426 HydrophobicContact CG-CE1 4.41Å; R422-F426 HydrophobicContact CG-CZ 3.98Å; R422-F426 WeakPolarHBondContact O-CD1 3.33Å; R422-F426 WeakPolarHBondContact O-CG 3.31Å; R422-F426 PolarHBondContact O-N 2.72Å; R422-F515 VanDerWaalsContact NH2-CD1 3.33Å; R422-I519 HydrophobicContact CG-CD1 3.17Å; R422-I519 HydrophobicContact CG-CG1 4.48Å; R422-I519 HydrophobicContact CG-CG2 4.25Å
423T95.3Very high88.3Confident0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-63.2-47-176.4-52.60000110.6A379 H380 L400 Y419 L420 L421 Y425 F426 L427A379-T423 HydrophobicContact CB-CG2 4.05Å; A379-T423 WeakPolarHBondContact O-CG2 3.39Å; H380-T423 WeakPolarHBondContact CA-OG1 3.4Å; H380-T423 WeakPolarHBondContact CB-OG1 3.39Å; H380-T423 PolarHBondContact N-OG1 3.46Å; L400-T423 HydrophobicContact CD1-CG2 3.39Å; Y419-T423 WeakPolarHBondContact O-CB 3.31Å; Y419-T423 PolarHBondContact O-N 3.39Å; Y419-T423 PolarHBondContact O-OG1 3.2Å; L420-T423 PolarHBondContact O-N 3.32Å; L420-T423 VanDerWaalsContact O-N 3.14Å; L421-T423 VanDerWaalsContact C-N 3.34Å; T423-Y425 VanDerWaalsContact C-N 3.34Å; T423-Y425 PolarHBondContact O-N 2.92Å; T423-F426 PolarHBondContact O-N 3.22Å; T423-L427 HydrophobicContact CG2-CD1 4.11Å; T423-L427 HydrophobicContact CG2-CG 4.49Å; T423-L427 WeakPolarHBondContact O-CB 3.12Å; T423-L427 VanDerWaalsContact O-CG 3.29Å; T423-L427 WeakPolarHBondContact O-CG 3.41Å; T423-L427 PolarHBondContact O-N 2.9Å
424I94.1Very high89.7Confident6 Ų620.6 Ų20.63%0.03111%0.109CC..Hα-helixtrans-58.7-47.1175.8-66.7168000110.6L400 L401 A404 L420 F426 L427 A428 I443 L523L400-I424 HydrophobicContact CB-CD1 4.42Å; L400-I424 HydrophobicContact CB-CG1 4.04Å; L401-I424 HydrophobicContact CD2-CD1 4.28Å; L401-I424 HydrophobicContact CD2-CG1 4.45Å; L401-I424 HydrophobicContact CD2-CG2 3.78Å; A404-I424 HydrophobicContact CB-CD1 3.95Å; L420-I424 HydrophobicContact CD1-CD1 3.86Å; L420-I424 HydrophobicContact CD1-CG1 4.34Å; L420-I424 HydrophobicContact CG-CD1 3.86Å; L420-I424 WeakPolarHBondContact O-CG1 3.34Å; L420-I424 PolarHBondContact O-N 2.95Å; I424-F426 VanDerWaalsContact C-N 3.35Å; I424-F426 PolarHBondContact O-N 3.38Å; I424-L427 PolarHBondContact O-N 3.42Å; I424-A428 VanDerWaalsContact O-CB 3.28Å; I424-A428 WeakPolarHBondContact O-CB 3.17Å; I424-A428 PolarHBondContact O-N 3.49Å; I424-I443 HydrophobicContact CD1-CD1 3.88Å; I424-I443 HydrophobicContact CG2-CD1 3.96Å; I424-L523 HydrophobicContact CB-CD2 4.43Å; I424-L523 HydrophobicContact CG2-CD1 4.48Å; I424-L523 HydrophobicContact CG2-CD2 3.82Å
425Y92.9Very high90.6Very high9 Ų918.5 Ų18.54%0.03510%0.096CC..Hα-helixtrans-60-42.4177.1172.2-112.2000112.7H169 I174 F178 L421 R422 T423 V429 K522 L523 F526H169-Y425 AromaticContact ND1-CE2 3.49Å; H169-Y425 WeakPolarHBondContact ND1-CE2 3.27Å; H169-Y425 AromaticContact ND1-CZ 3.61Å; H169-Y425 PolarHBondContact ND1-OH 3.48Å; I174-Y425 HydrophobicContact CD1-CD1 4.38Å; I174-Y425 HydrophobicContact CD1-CE1 3.83Å; I174-Y425 HydrophobicContact CG1-CE1 3.88Å; F178-Y425 HydrophobicContact CE2-CE1 4.19Å; L421-Y425 VanDerWaalsContact O-CB 3.24Å; L421-Y425 WeakPolarHBondContact O-CB 3.39Å; L421-Y425 PolarHBondContact O-N 2.96Å; R422-Y425 PolarHBondContact O-N 3.48Å; T423-Y425 VanDerWaalsContact C-N 3.34Å; T423-Y425 PolarHBondContact O-N 2.92Å; Y425-V429 HydrophobicContact CD2-CG2 3.8Å; Y425-V429 HydrophobicContact CE2-CG2 3.4Å; Y425-V429 WeakPolarHBondContact O-CB 3.26Å; Y425-V429 VanDerWaalsContact O-CG2 3.27Å; Y425-V429 WeakPolarHBondContact O-CG2 3.41Å; Y425-V429 PolarHBondContact O-N 3.49Å; Y425-K522 HydrophobicContact CE2-CB 4.11Å; Y425-L523 HydrophobicContact CD2-CB 4.18Å; Y425-L523 HydrophobicContact CD2-CD1 4.19Å; Y425-F526 HydrophobicContact CE2-CB 4.3Å
426F94.4Very high91.1Very high0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-66.9-40.5179.5-59.1-8.9000112I174 F178 H380 S383 L384 R422 T423 I424 R430I174-F426 HydrophobicContact CB-CD1 4.48Å; I174-F426 HydrophobicContact CD1-CD1 4.05Å; I174-F426 HydrophobicContact CG1-CD1 4.27Å; I174-F426 HydrophobicContact CG2-CB 4.36Å; I174-F426 HydrophobicContact CG2-CD1 3.42Å; I174-F426 VanDerWaalsContact CG2-CD1 3.42Å; I174-F426 HydrophobicContact CG2-CD2 4.16Å; I174-F426 HydrophobicContact CG2-CE1 3.72Å; I174-F426 HydrophobicContact CG2-CE2 4.39Å; I174-F426 HydrophobicContact CG2-CG 3.71Å; I174-F426 HydrophobicContact CG2-CZ 4.21Å; F178-F426 HydrophobicContact CB-CE1 4.38Å; F178-F426 HydrophobicContact CB-CE2 4.23Å; F178-F426 HydrophobicContact CB-CZ 3.68Å; F178-F426 AromaticContact CD1-CE1 4Å; F178-F426 HydrophobicContact CD1-CE1 4Å; F178-F426 AromaticContact CD1-CZ 3.55Å; F178-F426 HydrophobicContact CD1-CZ 3.55Å; F178-F426 AromaticContact CD2-CE1 3.53Å; F178-F426 HydrophobicContact CD2-CE1 3.53Å; F178-F426 AromaticContact CD2-CZ 3.7Å; F178-F426 HydrophobicContact CD2-CZ 3.7Å; F178-F426 HydrophobicContact CE1-CE1 4.1Å; F178-F426 HydrophobicContact CE1-CZ 4.04Å; F178-F426 AromaticContact CE2-CE1 3.66Å; F178-F426 HydrophobicContact CE2-CE1 3.66Å; F178-F426 HydrophobicContact CE2-CZ 4.18Å; F178-F426 AromaticContact CG-CE1 3.7Å; F178-F426 HydrophobicContact CG-CE1 3.7Å; F178-F426 HydrophobicContact CG-CE2 4.34Å; F178-F426 AromaticContact CG-CZ 3.34Å; F178-F426 HydrophobicContact CG-CZ 3.34Å; F178-F426 AromaticContact CZ-CE1 3.93Å; F178-F426 HydrophobicContact CZ-CE1 3.93Å; F178-F426 HydrophobicContact CZ-CZ 4.33Å; H380-F426 AromaticContact CD2-CE2 3.75Å; H380-F426 AromaticContact CE1-CE2 3.87Å; H380-F426 AromaticContact NE2-CE2 3.36Å; H380-F426 WeakPolarHBondContact NE2-CE2 3.42Å; H380-F426 AromaticContact NE2-CZ 3.85Å; S383-F426 WeakPolarHBondContact OG-CD2 3.43Å; L384-F426 HydrophobicContact CD1-CE2 4.3Å; L384-F426 HydrophobicContact CD2-CD2 3.65Å; L384-F426 HydrophobicContact CD2-CE2 3.78Å; L384-F426 HydrophobicContact CD2-CG 4.41Å; L384-F426 HydrophobicContact CG-CD2 3.94Å; L384-F426 HydrophobicContact CG-CE2 4.05Å; R422-F426 HydrophobicContact CB-CE1 4.28Å; R422-F426 HydrophobicContact CB-CE2 4.13Å; R422-F426 HydrophobicContact CB-CZ 3.83Å; R422-F426 HydrophobicContact CG-CE1 4.41Å; R422-F426 HydrophobicContact CG-CZ 3.98Å; R422-F426 WeakPolarHBondContact O-CD1 3.33Å; R422-F426 WeakPolarHBondContact O-CG 3.31Å; R422-F426 PolarHBondContact O-N 2.72Å; T423-F426 PolarHBondContact O-N 3.22Å; I424-F426 VanDerWaalsContact C-N 3.35Å; I424-F426 PolarHBondContact O-N 3.38Å; F426-R430 WeakPolarHBondContact O-CB 3.2Å; F426-R430 PolarHBondContact O-N 2.9Å
427L95.8Very high91.4Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-67.5-47.1176.8-67.2175.4000111.4L388 A393 L396 L400 T423 I424 V429 R430 F431 L434L388-L427 HydrophobicContact CD2-CD2 3.74Å; A393-L427 HydrophobicContact CB-CD2 4.04Å; L396-L427 HydrophobicContact CD2-CD1 4.47Å; L396-L427 HydrophobicContact CG-CD1 4.44Å; L400-L427 HydrophobicContact CD1-CD1 4.24Å; T423-L427 HydrophobicContact CG2-CD1 4.11Å; T423-L427 HydrophobicContact CG2-CG 4.49Å; T423-L427 WeakPolarHBondContact O-CB 3.12Å; T423-L427 VanDerWaalsContact O-CG 3.29Å; T423-L427 WeakPolarHBondContact O-CG 3.41Å; T423-L427 PolarHBondContact O-N 2.9Å; I424-L427 PolarHBondContact O-N 3.42Å; L427-V429 PolarHBondContact O-N 3.46Å; L427-R430 PolarHBondContact O-N 2.84Å; L427-R430 VanDerWaalsContact O-N 3.12Å; L427-F431 HydrophobicContact CD2-CD2 4.44Å; L427-F431 HydrophobicContact CD2-CE2 4.35Å; L427-F431 PolarHBondContact O-N 3.31Å; L427-L434 HydrophobicContact CB-CD1 4.49Å; L427-L434 HydrophobicContact CB-CG 4.26Å
428A94Very high91.7Very high2 Ų219.8 Ų19.82%0.01710%0.103CC..Hα-helixtrans-62.8-41.9-179.700000112.5I424 R430 A435 L523 F526I424-A428 VanDerWaalsContact O-CB 3.28Å; I424-A428 WeakPolarHBondContact O-CB 3.17Å; I424-A428 PolarHBondContact O-N 3.49Å; A428-R430 PolarHBondContact O-N 3.02Å; A428-A435 HydrophobicContact CB-CB 4.35Å; A428-L523 HydrophobicContact CB-CD1 4.37Å; A428-F526 VanDerWaalsContact C-CE1 3.48Å; A428-F526 HydrophobicContact CB-CD1 4.32Å; A428-F526 HydrophobicContact CB-CE1 3.91Å; A428-F526 WeakPolarHBondContact O-CE1 3.5Å; A428-F526 WeakPolarHBondContact O-CZ 3.37Å
429V92.2Very high91.7Very high19 Ų1921.7 Ų21.712%0.11511%0.11CC..Hα-helixtrans-67.7-27.4176.2172.70000112.3H169 I174 Y425 L427 F526H169-V429 HydrophobicContact CB-CG1 4.25Å; H169-V429 HydrophobicContact CB-CG2 4.05Å; I174-V429 HydrophobicContact CD1-CB 3.61Å; I174-V429 HydrophobicContact CD1-CG1 3.54Å; I174-V429 HydrophobicContact CD1-CG2 4.01Å; Y425-V429 HydrophobicContact CD2-CG2 3.8Å; Y425-V429 HydrophobicContact CE2-CG2 3.4Å; Y425-V429 WeakPolarHBondContact O-CB 3.26Å; Y425-V429 VanDerWaalsContact O-CG2 3.27Å; Y425-V429 WeakPolarHBondContact O-CG2 3.41Å; Y425-V429 PolarHBondContact O-N 3.49Å; L427-V429 PolarHBondContact O-N 3.46Å; V429-F526 HydrophobicContact CB-CE2 4.47Å; V429-F526 HydrophobicContact CB-CZ 4.31Å; V429-F526 HydrophobicContact CG2-CD1 3.89Å; V429-F526 HydrophobicContact CG2-CD2 3.91Å; V429-F526 HydrophobicContact CG2-CE1 3.95Å; V429-F526 HydrophobicContact CG2-CE2 3.94Å; V429-F526 HydrophobicContact CG2-CG 3.86Å; V429-F526 HydrophobicContact CG2-CZ 3.97Å
430R93Very high91.5Very high44 Ų4425.1 Ų25.117%0.16614%0.139CC..Hα-helixtrans-88.7-34.2-177.1-176.4175.9171.6177.70.1113.1Y171 S383 Y385 P386 L388 F426 L427 A428Y171-R430 HydrophobicContact CD2-CB 4.38Å; Y171-R430 HydrophobicContact CD2-CG 4.26Å; Y171-R430 HydrophobicContact CG-CG 4.45Å; S383-R430 PolarHBondContact O-NH1 3.41Å; S383-R430 VanDerWaalsContact O-NH1 3.13Å; Y385-R430 PolarHBondContact O-NH1 3.32Å; Y385-R430 PolarHBondContact O-NH2 2.8Å; Y385-R430 VanDerWaalsContact O-NH2 3.12Å; P386-R430 PolarHBondContact O-NH2 2.73Å; L388-R430 PolarHBondContact O-NH2 2.83Å; F426-R430 WeakPolarHBondContact O-CB 3.2Å; F426-R430 PolarHBondContact O-N 2.9Å; L427-R430 PolarHBondContact O-N 2.84Å; L427-R430 VanDerWaalsContact O-N 3.12Å; A428-R430 PolarHBondContact O-N 3.02Å
431F93.5Very high91.2Very high21 Ų2128.9 Ų28.99%0.09215%0.153CC..  trans-128.3107.8-174.9-57.9-77.8000109.4L388 E390 A393 L427 S433 L434 A435L388-F431 HydrophobicContact CD2-CE2 3.99Å; L388-F431 HydrophobicContact CD2-CZ 4.42Å; L388-F431 HydrophobicContact CG-CE2 4.36Å; L388-F431 HydrophobicContact CG-CZ 4.32Å; E390-F431 HydrophobicContact CB-CD1 3.92Å; E390-F431 HydrophobicContact CB-CE1 4.03Å; E390-F431 HydrophobicContact CG-CD1 4.03Å; A393-F431 HydrophobicContact CB-CD1 4.48Å; A393-F431 HydrophobicContact CB-CD2 3.39Å; A393-F431 HydrophobicContact CB-CE1 4.39Å; A393-F431 HydrophobicContact CB-CE2 3.27Å; A393-F431 HydrophobicContact CB-CG 4.01Å; A393-F431 HydrophobicContact CB-CZ 3.81Å; L427-F431 HydrophobicContact CD2-CD2 4.44Å; L427-F431 HydrophobicContact CD2-CE2 4.35Å; L427-F431 PolarHBondContact O-N 3.31Å; F431-S433 PolarHBondContact O-N 3.3Å; F431-L434 HydrophobicContact CB-CB 4.32Å; F431-L434 HydrophobicContact CB-CD2 4.5Å; F431-L434 WeakPolarHBondContact O-CB 3.33Å; F431-L434 PolarHBondContact O-N 2.85Å; F431-A435 PolarHBondContact O-N 3.18Å
432P91Very high91Very high76 Ų7632.9 Ų32.949%0.49418%0.175SC..Hα-helixtrans-55.5-36.4-179.7-28.236.1000113.6L434 A435 D436P432-L434 PolarHBondContact O-N 3.41Å; P432-L434 VanDerWaalsContact O-N 3.14Å; P432-A435 WeakPolarHBondContact O-CA 3.47Å; P432-A435 VanDerWaalsContact O-CB 3.31Å; P432-A435 WeakPolarHBondContact O-CB 3.28Å; P432-A435 PolarHBondContact O-N 3.16Å; P432-D436 PolarHBondContact O-N 3.38Å
433S91.3Very high90.7Very high29 Ų2931 Ų3120%0.20317%0.167CC..Hα-helixtrans-56.9-29.1174.650.70000113.6E390 F431 L437E390-S433 WeakPolarHBondContact OE1-CB 3.45Å; E390-S433 PolarHBondContact OE1-OG 3.44Å; F431-S433 PolarHBondContact O-N 3.3Å; S433-L437 WeakPolarHBondContact O-CB 3.44Å; S433-L437 PolarHBondContact O-N 2.76Å
434L91.5Very high90.2Very high5 Ų533.5 Ų33.53%0.02618%0.179CC..Hα-helixtrans-77.7-32.7173-96.4-76.3000112.7L394 L401 L427 F431 P432 L437 A438L394-L434 HydrophobicContact CB-CD2 4.24Å; L394-L434 HydrophobicContact CD2-CD2 3.26Å; L394-L434 HydrophobicContact CG-CD2 3.62Å; L401-L434 HydrophobicContact CD1-CD1 4.23Å; L427-L434 HydrophobicContact CB-CD1 4.49Å; L427-L434 HydrophobicContact CB-CG 4.26Å; F431-L434 HydrophobicContact CB-CB 4.32Å; F431-L434 HydrophobicContact CB-CD2 4.5Å; F431-L434 WeakPolarHBondContact O-CB 3.33Å; F431-L434 PolarHBondContact O-N 2.85Å; P432-L434 PolarHBondContact O-N 3.41Å; P432-L434 VanDerWaalsContact O-N 3.14Å; L434-L437 PolarHBondContact O-N 3.25Å; L434-A438 VanDerWaalsContact O-CB 3.23Å; L434-A438 WeakPolarHBondContact O-CB 3.32Å; L434-A438 PolarHBondContact O-N 3.22Å
435A89.5Confident89.8Confident0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-65.6-43.3173.500000110.4A428 F431 P432 A438 K439 F526 L527A428-A435 HydrophobicContact CB-CB 4.35Å; F431-A435 PolarHBondContact O-N 3.18Å; P432-A435 WeakPolarHBondContact O-CA 3.47Å; P432-A435 VanDerWaalsContact O-CB 3.31Å; P432-A435 WeakPolarHBondContact O-CB 3.28Å; P432-A435 PolarHBondContact O-N 3.16Å; A435-A438 PolarHBondContact O-N 2.86Å; A435-K439 WeakPolarHBondContact O-CG 3.41Å; A435-K439 PolarHBondContact O-N 3.01Å; A435-F526 HydrophobicContact CB-CE1 3.93Å; A435-F526 HydrophobicContact CB-CZ 4.46Å; A435-L527 HydrophobicContact CB-CD2 4.12Å
436D89.5Confident89.4Confident71 Ų7137.2 Ų37.238%0.3820%0.201SC..Hα-helixtrans-62.1-46174.3-62.4-27000111.2P432 A438 K439 C440 H530P432-D436 PolarHBondContact O-N 3.38Å; D436-A438 VanDerWaalsContact C-N 3.35Å; D436-A438 PolarHBondContact O-N 3.02Å; D436-K439 WeakPolarHBondContact O-CB 3.41Å; D436-K439 PolarHBondContact O-N 2.85Å; D436-C440 PolarHBondContact O-N 3.46Å; D436-C440 PolarHBondContact O-SG 2.7Å; D436-C440 VanDerWaalsContact O-SG 3.39Å; D436-H530 IonicContact OD1-CE1 3.98Å
437L89.4Confident88.9Confident45 Ų4537.2 Ų37.224%0.23620%0.201CC..Hα-helixtrans-62.5-41.8177.5-168.765.4000111.8L401 S433 L434 K439 C440 Y441L401-L437 HydrophobicContact CD1-CB 4.07Å; L401-L437 HydrophobicContact CD1-CD2 3.91Å; L401-L437 HydrophobicContact CD1-CG 3.8Å; S433-L437 WeakPolarHBondContact O-CB 3.44Å; S433-L437 PolarHBondContact O-N 2.76Å; L434-L437 PolarHBondContact O-N 3.25Å; L437-K439 PolarHBondContact O-N 3.35Å; L437-C440 WeakPolarHBondContact O-CB 3.22Å; L437-C440 PolarHBondContact O-N 2.72Å; L437-C440 VanDerWaalsContact O-N 3.07Å; L437-Y441 HydrophobicContact CD1-CD2 4.01Å; L437-Y441 HydrophobicContact CD1-CE2 3.76Å; L437-Y441 HydrophobicContact CD2-CE2 4.34Å; L437-Y441 HydrophobicContact CG-CD2 3.9Å; L437-Y441 HydrophobicContact CG-CE2 3.86Å; L437-Y441 WeakPolarHBondContact O-CD2 3.02Å; L437-Y441 PolarHBondContact O-N 2.73Å
438A88.7Confident88.4Confident0 Ų041.3 Ų41.30%022%0.22CC..Hα-helixtrans-58.4-38.3177.500000112L401 L434 A435 D436 Y441 D442 I443 L527L401-A438 HydrophobicContact CD1-CB 4.13Å; L401-A438 HydrophobicContact CD2-CB 3.68Å; L434-A438 VanDerWaalsContact O-CB 3.23Å; L434-A438 WeakPolarHBondContact O-CB 3.32Å; L434-A438 PolarHBondContact O-N 3.22Å; A435-A438 PolarHBondContact O-N 2.86Å; D436-A438 VanDerWaalsContact C-N 3.35Å; D436-A438 PolarHBondContact O-N 3.02Å; A438-Y441 PolarHBondContact O-N 3.09Å; A438-D442 PolarHBondContact O-N 3.48Å; A438-I443 HydrophobicContact CB-CG2 3.98Å; A438-I443 WeakPolarHBondContact O-CG2 3.44Å; A438-I443 PolarHBondContact O-N 3.38Å; A438-L527 HydrophobicContact CB-CD1 4.44Å; A438-L527 HydrophobicContact CB-CD2 4.16Å
439K85.3Confident87.7Confident51 Ų5146.6 Ų46.622%0.22224%0.244CC..Hα-helixtrans-67.3-43.3172.4-68.2175.9177.8-179.80112.1A435 D436 L437 Y441 D442 L527 C531A435-K439 WeakPolarHBondContact O-CG 3.41Å; A435-K439 PolarHBondContact O-N 3.01Å; D436-K439 WeakPolarHBondContact O-CB 3.41Å; D436-K439 PolarHBondContact O-N 2.85Å; L437-K439 PolarHBondContact O-N 3.35Å; K439-Y441 PolarHBondContact O-N 2.92Å; K439-D442 PolarHBondContact O-N 2.98Å; K439-L527 WeakPolarHBondContact CE-O 3.46Å; K439-L527 HydrophobicContact CG-CD2 4.46Å; K439-L527 PolarHBondContact NZ-O 3.15Å; K439-C531 PolarHBondContact NZ-SG 2.88Å
440C87.6Confident87.1Confident110 Ų11046.5 Ų46.574%0.74324%0.243SC*.Hα-helixtrans-61.1-31.7176.5-67.10000113.2D436 L437 D442D436-C440 PolarHBondContact O-N 3.46Å; D436-C440 PolarHBondContact O-SG 2.7Å; D436-C440 VanDerWaalsContact O-SG 3.39Å; L437-C440 WeakPolarHBondContact O-CB 3.22Å; L437-C440 PolarHBondContact O-N 2.72Å; L437-C440 VanDerWaalsContact O-N 3.07Å; C440-D442 PolarHBondContact O-N 3.44Å
441Y85Confident86.3Confident78 Ų7845.3 Ų45.331%0.30624%0.24SC..THydrogen-bonded Turntrans-78.5-3.7174.4-89.4-97.9000113.6L401 H402 V405 L437 A438 K439 I443L401-Y441 HydrophobicContact CB-CD1 4.22Å; L401-Y441 HydrophobicContact CB-CD2 4.27Å; L401-Y441 HydrophobicContact CB-CG 4.04Å; L401-Y441 HydrophobicContact CD1-CD2 4.32Å; H402-Y441 HydrophobicContact CB-CE1 3.84Å; V405-Y441 WeakPolarHBondContact CG2-O 3.44Å; L437-Y441 HydrophobicContact CD1-CD2 4.01Å; L437-Y441 HydrophobicContact CD1-CE2 3.76Å; L437-Y441 HydrophobicContact CD2-CE2 4.34Å; L437-Y441 HydrophobicContact CG-CD2 3.9Å; L437-Y441 HydrophobicContact CG-CE2 3.86Å; L437-Y441 WeakPolarHBondContact O-CD2 3.02Å; L437-Y441 PolarHBondContact O-N 2.73Å; A438-Y441 PolarHBondContact O-N 3.09Å; K439-Y441 PolarHBondContact O-N 2.92Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.19Å
442D84.1Confident85.3Confident84 Ų8450.3 Ų50.345%0.44926%0.261SS..THydrogen-bonded Turntrans55.342.6-175.2-167.628.1000113.2A438 K439 C440 E444 T445A438-D442 PolarHBondContact O-N 3.48Å; K439-D442 PolarHBondContact O-N 2.98Å; C440-D442 PolarHBondContact O-N 3.44Å; D442-E444 PolarHBondContact O-N 2.93Å; D442-T445 PolarHBondContact O-N 3.14Å; D442-T445 PolarHBondContact OD1-OG1 2.95Å; D442-T445 VanDerWaalsContact OD1-OG1 3.08Å; D442-T445 WeakPolarHBondContact OD2-CB 3.11Å; D442-T445 PolarHBondContact OD2-OG1 2.93Å
443I86Confident84.2Confident0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-62.3-23.7177.9-162163.5000112.2L401 A404 I424 A438 Y441 T445 F446 L447 L523 L527L401-I443 HydrophobicContact CD2-CD1 3.58Å; A404-I443 HydrophobicContact CB-CD1 4.26Å; I424-I443 HydrophobicContact CD1-CD1 3.88Å; I424-I443 HydrophobicContact CG2-CD1 3.96Å; A438-I443 HydrophobicContact CB-CG2 3.98Å; A438-I443 WeakPolarHBondContact O-CG2 3.44Å; A438-I443 PolarHBondContact O-N 3.38Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.19Å; I443-T445 VanDerWaalsContact C-N 3.29Å; I443-T445 PolarHBondContact O-N 3.35Å; I443-F446 HydrophobicContact CG1-CD1 4.14Å; I443-F446 WeakPolarHBondContact O-CB 3.25Å; I443-F446 PolarHBondContact O-N 3.34Å; I443-F446 VanDerWaalsContact O-N 3.16Å; I443-L447 HydrophobicContact CG1-CD1 4.47Å; I443-L447 HydrophobicContact CG1-CG 4.27Å; I443-L447 HydrophobicContact CG2-CD1 4.37Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.47Å; I443-L447 PolarHBondContact O-N 2.94Å; I443-L523 HydrophobicContact CD1-CD2 4.34Å; I443-L527 HydrophobicContact CG2-CD1 3.56Å
444E86.1Confident82.4Confident54 Ų5454 Ų5425%0.25227%0.265SS..Hα-helixtrans-59.6-40178.6-65.2-175.4-179.900111.6D442 L447 H448 L524 L527D442-E444 PolarHBondContact O-N 2.93Å; E444-L447 PolarHBondContact O-N 2.79Å; E444-H448 WeakPolarHBondContact O-CB 3.44Å; E444-H448 PolarHBondContact O-CD2 2.72Å; E444-H448 PolarHBondContact O-N 2.91Å; E444-L524 HydrophobicContact CB-CD1 4.09Å; E444-L524 HydrophobicContact CG-CD1 3.93Å; E444-L527 HydrophobicContact CG-CD1 4.41Å
445T84.6Confident80.4Confident62 Ų6259.3 Ų59.338%0.3829%0.29SS..Hα-helixtrans-59.3-48.7173.9-66.50000111.2D442 I443 L447 H448 E449D442-T445 PolarHBondContact O-N 3.14Å; D442-T445 PolarHBondContact OD1-OG1 2.95Å; D442-T445 VanDerWaalsContact OD1-OG1 3.08Å; D442-T445 WeakPolarHBondContact OD2-CB 3.11Å; D442-T445 PolarHBondContact OD2-OG1 2.93Å; I443-T445 VanDerWaalsContact C-N 3.29Å; I443-T445 PolarHBondContact O-N 3.35Å; T445-L447 PolarHBondContact O-N 3.16Å; T445-H448 PolarHBondContact O-N 3.11Å; T445-E449 WeakPolarHBondContact O-CG 3.29Å; T445-E449 PolarHBondContact O-N 3.48Å
446F84Confident78.3Confident31 Ų3164.1 Ų64.114%0.13632%0.316CS..Hα-helixtrans-59.1-44.4176169.8-109.2000112.3A404 L421 I443 H448 E449 L450A404-F446 HydrophobicContact CB-CD1 4.25Å; A404-F446 HydrophobicContact CB-CE1 4.02Å; A404-F446 WeakPolarHBondContact O-CD2 3.4Å; A404-F446 WeakPolarHBondContact O-CE2 3.41Å; L421-F446 HydrophobicContact CD2-CE1 3.94Å; I443-F446 HydrophobicContact CG1-CD1 4.14Å; I443-F446 WeakPolarHBondContact O-CB 3.25Å; I443-F446 PolarHBondContact O-N 3.34Å; I443-F446 VanDerWaalsContact O-N 3.16Å; F446-H448 PolarHBondContact O-N 2.71Å; F446-E449 PolarHBondContact O-N 3.47Å; F446-L450 HydrophobicContact CD1-CD1 4.05Å; F446-L450 HydrophobicContact CD2-CG 4.44Å; F446-L450 HydrophobicContact CE1-CD1 3.46Å; F446-L450 VanDerWaalsContact CE1-CD1 3.46Å; F446-L450 HydrophobicContact CE1-CG 4.34Å; F446-L450 HydrophobicContact CE2-CD1 4Å; F446-L450 HydrophobicContact CE2-CD2 4.3Å; F446-L450 HydrophobicContact CE2-CG 4.04Å; F446-L450 HydrophobicContact CZ-CD1 3.44Å; F446-L450 VanDerWaalsContact CZ-CD1 3.44Å; F446-L450 HydrophobicContact CZ-CD2 4.32Å; F446-L450 HydrophobicContact CZ-CG 4Å; F446-L450 WeakPolarHBondContact O-CG 3.17Å; F446-L450 PolarHBondContact O-N 3.33Å
447L85.8Confident76.3Confident0 Ų063.4 Ų63.40%032%0.316CS..Hα-helixtrans-63.4-42.1176.8-65.4173.7000111.5L421 I443 E444 T445 L450 L451 A520 L523 L524L421-L447 HydrophobicContact CD2-CD2 3.71Å; I443-L447 HydrophobicContact CG1-CD1 4.47Å; I443-L447 HydrophobicContact CG1-CG 4.27Å; I443-L447 HydrophobicContact CG2-CD1 4.37Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.47Å; I443-L447 PolarHBondContact O-N 2.94Å; E444-L447 PolarHBondContact O-N 2.79Å; T445-L447 PolarHBondContact O-N 3.16Å; L447-L450 PolarHBondContact O-N 2.69Å; L447-L451 WeakPolarHBondContact O-CB 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 2.99Å; L447-A520 HydrophobicContact CD2-CB 3.89Å; L447-L523 HydrophobicContact CD1-CB 4.24Å; L447-L523 HydrophobicContact CD1-CD2 3.93Å; L447-L523 HydrophobicContact CD1-CG 3.83Å; L447-L523 HydrophobicContact CD2-CD2 4.24Å; L447-L524 HydrophobicContact CD1-CB 4.2Å; L447-L524 HydrophobicContact CD1-CD1 4.43Å
448H84.1Confident73.9Confident85 Ų8565.5 Ų65.539%0.39433%0.325SS..Hα-helixtrans-64.4-37.6175.9-80.3-56000112.7E444 T445 F446 L451 K452E444-H448 WeakPolarHBondContact O-CB 3.44Å; E444-H448 PolarHBondContact O-CD2 2.72Å; E444-H448 PolarHBondContact O-N 2.91Å; T445-H448 PolarHBondContact O-N 3.11Å; F446-H448 PolarHBondContact O-N 2.71Å; H448-L451 PolarHBondContact O-N 3.39Å; H448-K452 WeakPolarHBondContact O-CB 3.36Å; H448-K452 WeakPolarHBondContact O-CG 3.39Å; H448-K452 PolarHBondContact O-N 3.18Å
449E80.5Confident71Confident113 Ų11370.8 Ų70.853%0.52835%0.353SS..Hα-helixtrans-63.5-49173.7-73.4-175.416600111.5T445 F446 L451 K452 E453T445-E449 WeakPolarHBondContact O-CG 3.29Å; T445-E449 PolarHBondContact O-N 3.48Å; F446-E449 PolarHBondContact O-N 3.47Å; E449-L451 VanDerWaalsContact C-N 3.28Å; E449-L451 PolarHBondContact O-N 2.97Å; E449-K452 WeakPolarHBondContact O-CB 3.39Å; E449-K452 PolarHBondContact O-N 3.23Å; E449-E453 PolarHBondContact O-N 3.28Å
450L78.5Confident68.2Low18 Ų1875.3 Ų75.39%0.09438%0.379CS..Hα-helixtrans-56.7-41.1174.4-73.9178.3000112.4T417 L421 F446 L447 L512T417-L450 HydrophobicContact CG2-CD1 4.17Å; L421-L450 HydrophobicContact CD1-CD1 3.97Å; F446-L450 HydrophobicContact CD1-CD1 4.05Å; F446-L450 HydrophobicContact CD2-CG 4.44Å; F446-L450 HydrophobicContact CE1-CD1 3.46Å; F446-L450 VanDerWaalsContact CE1-CD1 3.46Å; F446-L450 HydrophobicContact CE1-CG 4.34Å; F446-L450 HydrophobicContact CE2-CD1 4Å; F446-L450 HydrophobicContact CE2-CD2 4.3Å; F446-L450 HydrophobicContact CE2-CG 4.04Å; F446-L450 HydrophobicContact CZ-CD1 3.44Å; F446-L450 VanDerWaalsContact CZ-CD1 3.44Å; F446-L450 HydrophobicContact CZ-CD2 4.32Å; F446-L450 HydrophobicContact CZ-CG 4Å; F446-L450 WeakPolarHBondContact O-CG 3.17Å; F446-L450 PolarHBondContact O-N 3.33Å; L447-L450 PolarHBondContact O-N 2.69Å; L450-L512 HydrophobicContact CB-CD1 4.48Å; L450-L512 HydrophobicContact CB-CD2 4.1Å; L450-L512 HydrophobicContact CD2-CD1 4.05Å; L450-L512 HydrophobicContact CD2-CD2 4.4Å; L450-L512 WeakPolarHBondContact O-CD1 3.25Å
451L75.5Confident65.3Low19 Ų1976.9 Ų76.910%0.09938%0.38CS..Hα-helixtrans-69.5-33.6177.8-67.9170.5000112.1L447 H448 E449 H455 Y517 A520 L524L447-L451 WeakPolarHBondContact O-CB 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 2.99Å; H448-L451 PolarHBondContact O-N 3.39Å; E449-L451 VanDerWaalsContact C-N 3.28Å; E449-L451 PolarHBondContact O-N 2.97Å; L451-H455 PolarHBondContact O-CD2 2.78Å; L451-H455 VanDerWaalsContact O-CD2 3.32Å; L451-Y517 HydrophobicContact CD2-CD2 3.33Å; L451-Y517 HydrophobicContact CD2-CE2 3.32Å; L451-Y517 HydrophobicContact CD2-CG 4.14Å; L451-A520 HydrophobicContact CD2-CB 4.2Å; L451-A520 HydrophobicContact CG-CB 4.47Å; L451-L524 HydrophobicContact CD1-CD2 3.9Å
452K74Confident62.3Low126 Ų12678.5 Ų78.555%0.54840%0.398SS..Hα-helixtrans-71.4-36.2177.1-77.5169.2-174.3171.50113.1H448 E449 R454 H455 N456H448-K452 WeakPolarHBondContact O-CB 3.36Å; H448-K452 WeakPolarHBondContact O-CG 3.39Å; H448-K452 PolarHBondContact O-N 3.18Å; E449-K452 WeakPolarHBondContact O-CB 3.39Å; E449-K452 PolarHBondContact O-N 3.23Å; K452-R454 PolarHBondContact O-N 3.38Å; K452-H455 WeakPolarHBondContact O-CA 3.44Å; K452-H455 WeakPolarHBondContact O-CB 3.41Å; K452-H455 PolarHBondContact O-N 3.36Å; K452-N456 PolarHBondContact O-N 2.7Å
453E67.1Low59.5Low105 Ų10580.1 Ų80.149%0.49141%0.413SS..Hα-helixtrans-55.8-36.7177.5-75.6-173.4161.300111.9E449 N456 S457 L512E449-E453 PolarHBondContact O-N 3.28Å; E453-N456 PolarHBondContact O-N 3.49Å; E453-S457 PolarHBondContact O-N 3.3Å; E453-S457 PolarHBondContact O-OG 2.87Å; E453-L512 HydrophobicContact CB-CD1 4.41Å
454R52.7Low56.6Low76 Ų7685.4 Ų85.429%0.28745%0.45SS..Hα-helixtrans-62.8-45.2172.7-165.3177.5-173-123.4-0112.1K452 N456 S457 H458K452-R454 PolarHBondContact O-N 3.38Å; R454-N456 VanDerWaalsContact C-N 3.34Å; R454-N456 PolarHBondContact O-N 2.83Å; R454-S457 WeakPolarHBondContact CA-OG 3.28Å; R454-S457 PolarHBondContact O-N 3.37Å; R454-S457 PolarHBondContact O-OG 3.06Å; R454-H458 PolarHBondContact O-CD2 3.47Å; R454-H458 PolarHBondContact O-N 3Å
455H49.9Very low53.5Low117 Ų11788.4 Ų88.454%0.54248%0.477SS..Hα-helixtrans-61.4-41.1177.7-73.6-69.6000112.2L451 K452 H458 D459L451-H455 PolarHBondContact O-CD2 2.78Å; L451-H455 VanDerWaalsContact O-CD2 3.32Å; K452-H455 WeakPolarHBondContact O-CA 3.44Å; K452-H455 WeakPolarHBondContact O-CB 3.41Å; K452-H455 PolarHBondContact O-N 3.36Å; H455-H458 WeakPolarHBondContact O-CB 3.41Å; H455-H458 PolarHBondContact O-N 2.89Å; H455-D459 PolarHBondContact O-N 2.95Å
456N46Very low50.7Low101 Ų10190.5 Ų90.554%0.5449%0.494SS..Hα-helixtrans-71.2-33.3178.2-69.8-20.2000113K452 E453 R454 H458 D459 N460K452-N456 PolarHBondContact O-N 2.7Å; E453-N456 PolarHBondContact O-N 3.49Å; R454-N456 VanDerWaalsContact C-N 3.34Å; R454-N456 PolarHBondContact O-N 2.83Å; N456-H458 PolarHBondContact O-N 3.38Å; N456-D459 PolarHBondContact O-N 2.92Å; N456-N460 PolarHBondContact O-N 3.32Å
457S47.6Very low47.7Very low56 Ų5693.2 Ų93.239%0.39252%0.517SS..Hα-helixtrans-65.4-21.3172.569.80000113.2E453 R454E453-S457 PolarHBondContact O-N 3.3Å; E453-S457 PolarHBondContact O-OG 2.87Å; R454-S457 WeakPolarHBondContact CA-OG 3.28Å; R454-S457 PolarHBondContact O-N 3.37Å; R454-S457 PolarHBondContact O-OG 3.06Å
458H38.8Very low44.7Very low90 Ų90100.3 Ų100.342%0.41755%0.554SS.*Hα-helixtrans-80.1-29.5174-78.6-63.4000113.8R454 H455 N456R454-H458 PolarHBondContact O-CD2 3.47Å; R454-H458 PolarHBondContact O-N 3Å; H455-H458 WeakPolarHBondContact O-CB 3.41Å; H455-H458 PolarHBondContact O-N 2.89Å; N456-H458 PolarHBondContact O-N 3.38Å
459D28.9Very low41.8Very low110 Ų110103.2 Ų103.259%0.58857%0.572SS**Hα-helixtrans-81.5-27-177.4-77.3-18.2000113.5H455 N456 L461 T462H455-D459 PolarHBondContact O-N 2.95Å; N456-D459 PolarHBondContact O-N 2.92Å; D459-L461 PolarHBondContact O-N 3.21Å; D459-T462 PolarHBondContact O-N 3.01Å; D459-T462 PolarHBondContact O-OG1 3.46Å
460N26.5Very low38.9Very low146 Ų146102.6 Ų102.678%0.78158%0.581SS**THydrogen-bonded Turntrans-79.47178.5-75.6-25000114.5N456N456-N460 PolarHBondContact O-N 3.32Å
461L25Very low36.2Very low144 Ų144106.9 Ų106.975%0.75461%0.612SS**THydrogen-bonded Turntrans-105.133168.4-72.4165.4000111.8D459 P463D459-L461 PolarHBondContact O-N 3.21Å; L461-P463 WeakPolarHBondContact O-CD 3.43Å
462T23.1Very low33.7Very low112 Ų112111.9 Ų111.969%0.68764%0.644SS**SBendtrans-76.9115.8156.147.10000108.7D459 S464D459-T462 PolarHBondContact O-N 3.01Å; D459-T462 PolarHBondContact O-OG1 3.46Å; T462-S464 PolarHBondContact O-N 3.48Å
463P25.8Very low31Very low118 Ų118112.7 Ų112.777%0.76665%0.652SS**  trans-60.7131.1176.824.6-30.2000107.9L461 S465L461-P463 WeakPolarHBondContact O-CD 3.43Å; P463-S465 VanDerWaalsContact C-N 3.34Å; P463-S465 PolarHBondContact O-N 3.34Å
464S23.5Very low28.8Very low111 Ų111113.3 Ų113.378%0.77667%0.665SS**  trans-45.9102.1170.339.70000109.2T462 S466T462-S464 PolarHBondContact O-N 3.48Å; S464-S466 PolarHBondContact O-N 3.14Å
465S21.6Very low27.3Very low116 Ų116116.4 Ų116.481%0.81169%0.688SS**  trans-73.968.2168.659.50000107.8P463 S467P463-S465 VanDerWaalsContact C-N 3.34Å; P463-S465 PolarHBondContact O-N 3.34Å; S465-S467 VanDerWaalsContact C-N 3.25Å; S465-S467 PolarHBondContact O-N 2.94Å
466S26.1Very low26.1Very low107 Ų107119.4 Ų119.475%0.74870%0.702SS**  trans-83.888.2155.759.90000107S464S464-S466 PolarHBondContact O-N 3.14Å
467S21.8Very low24.9Very low88 Ų88123.1 Ų123.162%0.61572%0.716SS**  trans-41148.1164.955.60000114.9S465S465-S467 VanDerWaalsContact C-N 3.25Å; S465-S467 PolarHBondContact O-N 2.94Å
468L22.3Very low23.9Very low148 Ų148129.9 Ų129.978%0.77574%0.738SS**  trans74.1101.5144.7-65.7150.9000117.6
469N22.5Very low23Very low146 Ų146134 Ų13478%0.78176%0.758SS**  177.3135.686.3-94.1-27000112.6
470S19.3Very low22.5Very low101 Ų101140.9 Ų140.971%0.70678%0.776SS**  trans-60.2158.1164.249.10000112.8
471S21.6Very low22.2Very low108 Ų108136.3 Ų136.376%0.75576%0.763SS**  trans80103.7162.972.90000116.9
472T23.1Very low22Very low123 Ų123136.4 Ų136.476%0.75576%0.764SS**  162.5123.794.6-56.20000108.6
473I18.5Very low22Very low143 Ų143142.2 Ų142.273%0.73378%0.775SS**  trans-65.9136.8168-64.9165.9000108.5
474P21.3Very low21.7Very low118 Ų118145.1 Ų145.177%0.76678%0.775SS**  -127.8128.9125.99.411.4000112E476P474-E476 PolarHBondContact O-N 3.5Å
475N19.8Very low21.8Very low142 Ų142146.7 Ų146.776%0.75978%0.775SS**  trans-59.3124.2160.7-73.8-32.2000109.9
476E24.8Very low21.8Very low179 Ų179147.7 Ų147.784%0.83677%0.772SS**  trans-129.9106.9150.6-78.2-162.8164.800110.1P474 K478P474-E476 PolarHBondContact O-N 3.5Å; E476-K478 PolarHBondContact O-N 3.41Å
477H20.7Very low21.7Very low179 Ų179150 Ų15083%0.82978%0.775SS**  trans-57122.1158.5-78.7-84.9000110.3
478K28.1Very low22.4Very low198 Ų198150.4 Ų150.486%0.86178%0.775SS**  trans-139.6108.8146-91.3-176.2-177.4164.80110.9E476E476-K478 PolarHBondContact O-N 3.41Å
479Q18.5Very low22.4Very low178 Ų178151.4 Ų151.483%0.83278%0.776SS**  trans-60.8168.1158.6-72.8168.9-3400111.6
480W19.1Very low22.2Very low254 Ų254150.2 Ų150.296%0.96277%0.774SS**  trans111.9119.7161.1-139.2-81.1000111.7
481G20.3Very low22.3Very low49 Ų49152 Ų15251%0.50578%0.781SS.*  cis145.8125.516.800000106.8
482D20.3Very low22.1Very low146 Ų146157.6 Ų157.678%0.78179%0.785SS**  trans12.8120.5159.8-65.5-49000120.1
483Y24.2Very low22.1Very low235 Ų235157.7 Ų157.792%0.92279%0.786SS**  trans-123.492.8143.5-96.9-87.9000109.8
484K18.7Very low22.1Very low178 Ų178156.1 Ų156.177%0.77479%0.788SS**  trans-88.4129.9151.2-79.6179.3174.8174.50107.7
485N26.2Very low22.2Very low145 Ų145156 Ų15678%0.77579%0.789SS**  trans-178.2106.9139.3-93.7-25.8000112
486N21.7Very low22.2Very low137 Ų137157.5 Ų157.573%0.73380%0.797SS**  48.3121.4116.6-71.1-25.9000121.7
487L22.5Very low22.2Very low156 Ų156154.7 Ų154.782%0.81780%0.797SS**  trans88.9166130.3-11587.7000119.3
488P37.8Very low22.3Very low96 Ų96155.1 Ų155.162%0.62380%0.799SS**  -130.2-165.2-10041.4-21.8000113.9
489Q22.2Very low22.3Very low168 Ų168151.6 Ų151.679%0.78580%0.796SS**  trans97.298.2159.5-71.1171.21.700119
490T17.8Very low22.5Very low122 Ų122148.3 Ų148.375%0.74879%0.793SS**  18.2113.4119.455.80000118.1
491T22Very low22.7Very low137 Ų137144.5 Ų144.584%0.8479%0.786SS**  -173.7141.9118.112.20000112.9
492R17.7Very low22.9Very low226 Ų226151 Ų15185%0.85380%0.801SS**  trans-19.4136.1162.9-55.8170.6-175-170.7-0.8116.1
493T21.9Very low23.1Very low126 Ų126151.7 Ų151.777%0.77380%0.803SS**  166.7139.197.340.50000111.5
494S19.7Very low23.1Very low110 Ų110148 Ų14877%0.76979%0.794SS**  trans-13.8127.7154.1530000118.5
495S22.6Very low23.3Very low114 Ų114146.9 Ų146.980%0.79780%0.796SS**  -173146.1129.244.20000111.2
496L19.1Very low23.2Very low174 Ų174143.7 Ų143.791%0.91180%0.797SS**  trans-54.6137.5-179.3-73.472.1000113.5
497S25.9Very low23.5Very low121 Ų121145.3 Ų145.385%0.84680%0.804SS**  trans-147.2136.8144.751.50000110.5
498Q23Very low23.7Very low188 Ų188141.2 Ų141.288%0.87980%0.799SS**  trans-72.6171.5-173.8-96.3-162-14.700113.7
499P27.1Very low23.4Very low123 Ų123141.3 Ų141.380%0.79980%0.803SS**  trans-85.3130.5-146.633.2-32.6000113.2
500S22.2Very low24Very low109 Ų109139 Ų13976%0.76280%0.795SS**  trans-85.9115.3167.952.70000110.6
501E23.6Very low25.3Very low174 Ų174137.1 Ų137.181%0.81379%0.788SS**  trans60105.1138.7-66.1-179152.400119.1I503E501-I503 PolarHBondContact O-N 3.41Å; E501-I503 VanDerWaalsContact O-N 3.16Å
502K24.1Very low26.3Very low187 Ų187131.9 Ų131.981%0.81375%0.754SS**  trans22.384.4131.9-69.4-173.8173.4-169.10115.2E504K502-E504 VanDerWaalsContact C-N 3.31Å
503I24.9Very low28.1Very low160 Ų160123.7 Ų123.782%0.82173%0.73SS**  trans-96.874.2146.7-55.6177.7000106E501 N505E501-I503 PolarHBondContact O-N 3.41Å; E501-I503 VanDerWaalsContact O-N 3.16Å; I503-N505 PolarHBondContact O-N 3.22Å
504E23.6Very low29.7Very low158 Ų158119.1 Ų119.174%0.73870%0.702SS**  trans-72106.1146-82.2176159.600104.8K502K502-E504 VanDerWaalsContact C-N 3.31Å
505N24.5Very low31.8Very low153 Ų153118 Ų11882%0.81868%0.683SS**  trans-169.998.7153.5-91.9-26.5000110.4I503I503-N505 PolarHBondContact O-N 3.22Å
506G24.2Very low33.8Very low78 Ų78112.8 Ų112.880%0.80465%0.646SS**  trans70.361.4134.800000117.8
507I26.5Very low36.1Very low172 Ų172108 Ų10888%0.88262%0.616SS**  trans-82.5102.5137.2-61175.6000104.2S509I507-S509 PolarHBondContact O-N 3.5Å
508G27.5Very low38.4Very low69 Ų69104.7 Ų104.771%0.71159%0.589SS**  trans-52.1124.6172.700000109.2
509S31.2Very low41.2Very low99 Ų9995.8 Ų95.869%0.69255%0.547SS*.  trans-54.8133.9177.350.20000112.4I507 S511I507-S509 PolarHBondContact O-N 3.5Å; S509-S511 PolarHBondContact O-N 3.37Å
510D36.1Very low43.8Very low118 Ų11890 Ų9063%0.63151%0.509SS*.  trans25.978.6138.3-55.7-25.8000115.6
511S43.8Very low46.6Very low84 Ų8485.9 Ų85.959%0.58748%0.481SS*.PPolyproline II helixtrans-101.3124.4163.653.10000109.1S509S509-S511 PolarHBondContact O-N 3.37Å
512L43Very low49.5Very low26 Ų2679.5 Ų79.514%0.13645%0.45CS..PPolyproline II helixtrans-54140.1173.8-94.193.1000110.8L450 E453 E516L450-L512 HydrophobicContact CB-CD1 4.48Å; L450-L512 HydrophobicContact CB-CD2 4.1Å; L450-L512 HydrophobicContact CD2-CD1 4.05Å; L450-L512 HydrophobicContact CD2-CD2 4.4Å; L450-L512 WeakPolarHBondContact O-CD1 3.25Å; E453-L512 HydrophobicContact CB-CD1 4.41Å; L512-E516 WeakPolarHBondContact CA-OE2 3.38Å; L512-E516 HydrophobicContact CB-CB 4.46Å; L512-E516 WeakPolarHBondContact CB-OE2 3.25Å; L512-E516 HydrophobicContact CD2-CB 3.62Å; L512-E516 HydrophobicContact CG-CB 4.19Å; L512-E516 WeakPolarHBondContact CG-OE2 3.46Å
513T55Low52.5Low55 Ų5570.6 Ų70.634%0.33741%0.411SS..PPolyproline II helixtrans-73.9156.3170.673.10000111.1P414 F515 E516 Y517P414-T513 HydrophobicContact CB-CG2 3.75Å; T513-F515 PolarHBondContact O-N 3.39Å; T513-F515 PolarHBondContact OG1-N 3.01Å; T513-E516 WeakPolarHBondContact CB-OE1 3.43Å; T513-E516 WeakPolarHBondContact CG2-OE1 3.29Å; T513-E516 PolarHBondContact N-OE2 3.43Å; T513-E516 PolarHBondContact O-N 3.2Å; T513-E516 VanDerWaalsContact O-N 3.13Å; T513-E516 VanDerWaalsContact OG1-CD 3.29Å; T513-E516 PolarHBondContact OG1-N 2.66Å; T513-E516 PolarHBondContact OG1-OE1 3.1Å; T513-Y517 PolarHBondContact O-N 3.47Å
514T57.2Low55.5Low30 Ų3063.8 Ų63.818%0.18438%0.377CS..Hα-helixtrans-56.5-25.9174.7-48.80000112.7S59 L518S59-T514 WeakPolarHBondContact O-CB 3.29Å; S59-T514 PolarHBondContact O-OG1 3.46Å; T514-L518 WeakPolarHBondContact O-CB 3.3Å; T514-L518 PolarHBondContact O-N 3.36Å
515F62.9Low58.5Low87 Ų8760 Ų6038%0.38236%0.361SS..Hα-helixtrans-73.2-43177.4-75.3-70.3000112.6T418 R422 T513 Y517 I519T418-F515 HydrophobicContact CG2-CB 4.38Å; R422-F515 VanDerWaalsContact NH2-CD1 3.33Å; T513-F515 PolarHBondContact O-N 3.39Å; T513-F515 PolarHBondContact OG1-N 3.01Å; F515-Y517 VanDerWaalsContact C-N 3.35Å; F515-I519 WeakPolarHBondContact O-CB 3.27Å; F515-I519 VanDerWaalsContact O-CG1 3.25Å; F515-I519 WeakPolarHBondContact O-CG1 3.37Å; F515-I519 PolarHBondContact O-N 2.99Å; F515-I519 VanDerWaalsContact O-N 3.16Å
516E64.9Low61.5Low3 Ų353.8 Ų53.81%0.01433%0.327CS..Hα-helixtrans-59.7-48.3173.3-74.1130.2-122.500110.5P414 T417 T418 L512 T513 L518 I519 A520P414-E516 WeakPolarHBondContact CA-OE1 3.3Å; P414-E516 WeakPolarHBondContact CB-OE1 3.48Å; T417-E516 HydrophobicContact CG2-CG 4.06Å; T418-E516 VanDerWaalsContact OG1-CG 3.27Å; T418-E516 WeakPolarHBondContact OG1-CG 3.43Å; T418-E516 PolarHBondContact OG1-OE1 3.31Å; L512-E516 WeakPolarHBondContact CA-OE2 3.38Å; L512-E516 HydrophobicContact CB-CB 4.46Å; L512-E516 WeakPolarHBondContact CB-OE2 3.25Å; L512-E516 HydrophobicContact CD2-CB 3.62Å; L512-E516 HydrophobicContact CG-CB 4.19Å; L512-E516 WeakPolarHBondContact CG-OE2 3.46Å; T513-E516 WeakPolarHBondContact CB-OE1 3.43Å; T513-E516 WeakPolarHBondContact CG2-OE1 3.29Å; T513-E516 PolarHBondContact N-OE2 3.43Å; T513-E516 PolarHBondContact O-N 3.2Å; T513-E516 VanDerWaalsContact O-N 3.13Å; T513-E516 VanDerWaalsContact OG1-CD 3.29Å; T513-E516 PolarHBondContact OG1-N 2.66Å; T513-E516 PolarHBondContact OG1-OE1 3.1Å; E516-L518 PolarHBondContact O-N 2.87Å; E516-I519 PolarHBondContact O-N 3.19Å; E516-I519 VanDerWaalsContact O-N 3.17Å; E516-A520 VanDerWaalsContact O-CB 3.3Å; E516-A520 WeakPolarHBondContact O-CB 3.37Å; E516-A520 PolarHBondContact O-N 3.26Å
517Y67.9Low64.4Low75 Ų7550.1 Ų50.129%0.29429%0.289SS..Hα-helixtrans-57.8-49.9179.7178.8-86.5000112.1L451 T513 F515 I519 A520 S521L451-Y517 HydrophobicContact CD2-CD2 3.33Å; L451-Y517 HydrophobicContact CD2-CE2 3.32Å; L451-Y517 HydrophobicContact CD2-CG 4.14Å; T513-Y517 PolarHBondContact O-N 3.47Å; F515-Y517 VanDerWaalsContact C-N 3.35Å; Y517-I519 PolarHBondContact O-N 2.71Å; Y517-A520 PolarHBondContact O-N 3.06Å; Y517-S521 WeakPolarHBondContact O-CB 3.36Å; Y517-S521 PolarHBondContact O-N 3.21Å; Y517-S521 PolarHBondContact O-OG 3.2Å; Y517-S521 VanDerWaalsContact O-OG 3.1Å
518L73.6Confident67.1Low50 Ų5044.6 Ų44.626%0.26227%0.266SS..Hα-helixtrans-59.7-36.3-179.1-179.165000111.4T514 E516 K522T514-L518 WeakPolarHBondContact O-CB 3.3Å; T514-L518 PolarHBondContact O-N 3.36Å; E516-L518 PolarHBondContact O-N 2.87Å; L518-K522 WeakPolarHBondContact O-CB 3.42Å; L518-K522 VanDerWaalsContact O-CG 3.28Å; L518-K522 WeakPolarHBondContact O-CG 3.28Å; L518-K522 PolarHBondContact O-N 3.46Å
519I81.3Confident69.5Low2 Ų245 Ų451%0.0125%0.251CS..Hα-helixtrans-82.9-37.9-175.9-65.9-175000111.3F178 L421 R422 F515 E516 Y517 S521 K522 L523F178-I519 HydrophobicContact CE1-CD1 3.75Å; F178-I519 HydrophobicContact CZ-CD1 4.2Å; L421-I519 HydrophobicContact CB-CG2 3.99Å; R422-I519 HydrophobicContact CG-CD1 3.17Å; R422-I519 HydrophobicContact CG-CG1 4.48Å; R422-I519 HydrophobicContact CG-CG2 4.25Å; F515-I519 WeakPolarHBondContact O-CB 3.27Å; F515-I519 VanDerWaalsContact O-CG1 3.25Å; F515-I519 WeakPolarHBondContact O-CG1 3.37Å; F515-I519 PolarHBondContact O-N 2.99Å; F515-I519 VanDerWaalsContact O-N 3.16Å; E516-I519 PolarHBondContact O-N 3.19Å; E516-I519 VanDerWaalsContact O-N 3.17Å; Y517-I519 PolarHBondContact O-N 2.71Å; I519-S521 VanDerWaalsContact C-N 3.33Å; I519-S521 PolarHBondContact O-N 3.4Å; I519-K522 PolarHBondContact O-N 2.82Å; I519-L523 VanDerWaalsContact O-CB 3.3Å; I519-L523 WeakPolarHBondContact O-CB 3.37Å; I519-L523 PolarHBondContact O-N 3.14Å
520A81.6Confident71.2Confident0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-56.8-48.116900000110.6L421 L447 L451 E516 Y517 K522 L523 L524L421-A520 HydrophobicContact CD1-CB 4.19Å; L447-A520 HydrophobicContact CD2-CB 3.89Å; L451-A520 HydrophobicContact CD2-CB 4.2Å; L451-A520 HydrophobicContact CG-CB 4.47Å; E516-A520 VanDerWaalsContact O-CB 3.3Å; E516-A520 WeakPolarHBondContact O-CB 3.37Å; E516-A520 PolarHBondContact O-N 3.26Å; Y517-A520 PolarHBondContact O-N 3.06Å; A520-K522 PolarHBondContact O-N 3.32Å; A520-L523 PolarHBondContact O-N 2.66Å; A520-L524 VanDerWaalsContact O-CB 3.3Å; A520-L524 WeakPolarHBondContact O-CB 3.25Å; A520-L524 PolarHBondContact O-N 2.93Å
521S81.6Confident72.1Confident23 Ų2339.4 Ų39.416%0.16122%0.218CC..Hα-helixtrans-64.1-40.6176.2-62.60000112.7Y517 I519 L524 N525Y517-S521 WeakPolarHBondContact O-CB 3.36Å; Y517-S521 PolarHBondContact O-N 3.21Å; Y517-S521 PolarHBondContact O-OG 3.2Å; Y517-S521 VanDerWaalsContact O-OG 3.1Å; I519-S521 VanDerWaalsContact C-N 3.33Å; I519-S521 PolarHBondContact O-N 3.4Å; S521-L524 PolarHBondContact O-N 3.1Å; S521-N525 VanDerWaalsContact O-CB 3.29Å; S521-N525 WeakPolarHBondContact O-CB 3.44Å; S521-N525 PolarHBondContact O-N 2.93Å; S521-N525 PolarHBondContact O-ND2 3.21Å; S521-N525 PolarHBondContact O-OD1 3.04Å
522K84.8Confident72.2Confident40 Ų4042.9 Ų42.917%0.17423%0.225CC..Hα-helixtrans-64.2-40.9175.4-82.4-176.6174.2-163.40112.5D167 H169 Y425 L518 I519 A520 F526D167-K522 WeakPolarHBondContact OD2-CE 3.45Å; D167-K522 IonicContact OD2-NZ 3.92Å; H169-K522 PolarHBondContact CE1-O 3.05Å; Y425-K522 HydrophobicContact CE2-CB 4.11Å; L518-K522 WeakPolarHBondContact O-CB 3.42Å; L518-K522 VanDerWaalsContact O-CG 3.28Å; L518-K522 WeakPolarHBondContact O-CG 3.28Å; L518-K522 PolarHBondContact O-N 3.46Å; I519-K522 PolarHBondContact O-N 2.82Å; A520-K522 PolarHBondContact O-N 3.32Å; K522-F526 VanDerWaalsContact O-CB 3.26Å; K522-F526 WeakPolarHBondContact O-CB 3.4Å; K522-F526 PolarHBondContact O-N 3.3Å
523L87.4Confident72.5Confident0 Ų045.2 Ų45.20%024%0.243CC..Hα-helixtrans-66.5-46.9177.317954.6000110.6L421 I424 Y425 A428 I443 L447 I519 A520 N525 F526 L527L421-L523 HydrophobicContact CD2-CD2 4.49Å; I424-L523 HydrophobicContact CB-CD2 4.43Å; I424-L523 HydrophobicContact CG2-CD1 4.48Å; I424-L523 HydrophobicContact CG2-CD2 3.82Å; Y425-L523 HydrophobicContact CD2-CB 4.18Å; Y425-L523 HydrophobicContact CD2-CD1 4.19Å; A428-L523 HydrophobicContact CB-CD1 4.37Å; I443-L523 HydrophobicContact CD1-CD2 4.34Å; L447-L523 HydrophobicContact CD1-CB 4.24Å; L447-L523 HydrophobicContact CD1-CD2 3.93Å; L447-L523 HydrophobicContact CD1-CG 3.83Å; L447-L523 HydrophobicContact CD2-CD2 4.24Å; I519-L523 VanDerWaalsContact O-CB 3.3Å; I519-L523 WeakPolarHBondContact O-CB 3.37Å; I519-L523 PolarHBondContact O-N 3.14Å; A520-L523 PolarHBondContact O-N 2.66Å; L523-N525 PolarHBondContact O-N 2.9Å; L523-F526 PolarHBondContact O-N 3.36Å; L523-L527 HydrophobicContact CD1-CD1 3.98Å; L523-L527 HydrophobicContact CD1-CD2 4.49Å; L523-L527 HydrophobicContact CD1-CG 4.02Å; L523-L527 HydrophobicContact CG-CD1 4.08Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.43Å; L523-L527 PolarHBondContact O-N 3.22Å
524L86.8Confident71.7Confident18 Ų1848.1 Ų48.19%0.09426%0.256CS..Hα-helixtrans-60.9-45.9178-173.965.4000112E444 L447 L451 A520 S521 F526 L527 S528E444-L524 HydrophobicContact CB-CD1 4.09Å; E444-L524 HydrophobicContact CG-CD1 3.93Å; L447-L524 HydrophobicContact CD1-CB 4.2Å; L447-L524 HydrophobicContact CD1-CD1 4.43Å; L451-L524 HydrophobicContact CD1-CD2 3.9Å; A520-L524 VanDerWaalsContact O-CB 3.3Å; A520-L524 WeakPolarHBondContact O-CB 3.25Å; A520-L524 PolarHBondContact O-N 2.93Å; S521-L524 PolarHBondContact O-N 3.1Å; L524-F526 PolarHBondContact O-N 3.37Å; L524-L527 PolarHBondContact O-N 3.42Å; L524-S528 WeakPolarHBondContact O-CB 3.34Å; L524-S528 PolarHBondContact O-N 3.14Å; L524-S528 PolarHBondContact O-OG 2.86Å
525N86.4Confident70.5Confident77 Ų7755.5 Ų55.541%0.41229%0.289SS..Hα-helixtrans-61.1-44.3175.7-72.3-10.6000111.3S521 L523 S528 D529S521-N525 VanDerWaalsContact O-CB 3.29Å; S521-N525 WeakPolarHBondContact O-CB 3.44Å; S521-N525 PolarHBondContact O-N 2.93Å; S521-N525 PolarHBondContact O-ND2 3.21Å; S521-N525 PolarHBondContact O-OD1 3.04Å; L523-N525 PolarHBondContact O-N 2.9Å; N525-S528 PolarHBondContact O-N 3.2Å; N525-D529 PolarHBondContact O-N 2.92Å
526F87Confident69Low24 Ų2462.4 Ų62.411%0.10533%0.325CS..Hα-helixtrans-61-46.1177.8173.2-107.9000112.4H169 Y425 A428 V429 A435 K522 L523 L524 S528 D529 H530H169-F526 HydrophobicContact CB-CB 4.48Å; H169-F526 HydrophobicContact CB-CD2 3.34Å; H169-F526 HydrophobicContact CB-CE2 3.9Å; H169-F526 HydrophobicContact CB-CG 4.2Å; H169-F526 AromaticContact CD2-CD2 3.84Å; H169-F526 AromaticContact CG-CD2 3.58Å; Y425-F526 HydrophobicContact CE2-CB 4.3Å; A428-F526 VanDerWaalsContact C-CE1 3.48Å; A428-F526 HydrophobicContact CB-CD1 4.32Å; A428-F526 HydrophobicContact CB-CE1 3.91Å; A428-F526 WeakPolarHBondContact O-CE1 3.5Å; A428-F526 WeakPolarHBondContact O-CZ 3.37Å; V429-F526 HydrophobicContact CB-CE2 4.47Å; V429-F526 HydrophobicContact CB-CZ 4.31Å; V429-F526 HydrophobicContact CG2-CD1 3.89Å; V429-F526 HydrophobicContact CG2-CD2 3.91Å; V429-F526 HydrophobicContact CG2-CE1 3.95Å; V429-F526 HydrophobicContact CG2-CE2 3.94Å; V429-F526 HydrophobicContact CG2-CG 3.86Å; V429-F526 HydrophobicContact CG2-CZ 3.97Å; A435-F526 HydrophobicContact CB-CE1 3.93Å; A435-F526 HydrophobicContact CB-CZ 4.46Å; K522-F526 VanDerWaalsContact O-CB 3.26Å; K522-F526 WeakPolarHBondContact O-CB 3.4Å; K522-F526 PolarHBondContact O-N 3.3Å; L523-F526 PolarHBondContact O-N 3.36Å; L524-F526 PolarHBondContact O-N 3.37Å; F526-S528 VanDerWaalsContact C-N 3.31Å; F526-S528 PolarHBondContact O-N 2.91Å; F526-D529 PolarHBondContact O-N 2.84Å; F526-H530 WeakPolarHBondContact O-CB 3.49Å; F526-H530 PolarHBondContact O-N 3.4Å; F526-H530 VanDerWaalsContact O-N 3.09Å
527L85.8Confident69.2Low0 Ų065.4 Ų65.40%034%0.341CS..Hα-helixtrans-65-37.3179.1-67.2174.3000111.6A435 A438 K439 I443 E444 L523 L524 H530A435-L527 HydrophobicContact CB-CD2 4.12Å; A438-L527 HydrophobicContact CB-CD1 4.44Å; A438-L527 HydrophobicContact CB-CD2 4.16Å; K439-L527 WeakPolarHBondContact CE-O 3.46Å; K439-L527 HydrophobicContact CG-CD2 4.46Å; K439-L527 PolarHBondContact NZ-O 3.15Å; I443-L527 HydrophobicContact CG2-CD1 3.56Å; E444-L527 HydrophobicContact CG-CD1 4.41Å; L523-L527 HydrophobicContact CD1-CD1 3.98Å; L523-L527 HydrophobicContact CD1-CD2 4.49Å; L523-L527 HydrophobicContact CD1-CG 4.02Å; L523-L527 HydrophobicContact CG-CD1 4.08Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.43Å; L523-L527 PolarHBondContact O-N 3.22Å; L524-L527 PolarHBondContact O-N 3.42Å; L527-H530 PolarHBondContact O-N 2.63Å
528S83.6Confident69.3Low57 Ų5764.9 Ų64.940%0.39934%0.343SS..Hα-helixtrans-64.8-48.9175.7-58.30000112L524 N525 F526 H530 C531L524-S528 WeakPolarHBondContact O-CB 3.34Å; L524-S528 PolarHBondContact O-N 3.14Å; L524-S528 PolarHBondContact O-OG 2.86Å; N525-S528 PolarHBondContact O-N 3.2Å; F526-S528 VanDerWaalsContact C-N 3.31Å; F526-S528 PolarHBondContact O-N 2.91Å; S528-H530 VanDerWaalsContact C-N 3.26Å; S528-H530 PolarHBondContact O-N 3.33Å; S528-C531 WeakPolarHBondContact O-CB 3.35Å; S528-C531 PolarHBondContact O-N 3.35Å; S528-C531 VanDerWaalsContact O-N 3.12Å
529D77.6Confident69.1Low76 Ų7665.7 Ų65.741%0.40635%0.348SS..Hα-helixtrans-62.7-33.1178.9-78.2-1.6000112.2N525 F526 C531 E532N525-D529 PolarHBondContact O-N 2.92Å; F526-D529 PolarHBondContact O-N 2.84Å; D529-C531 PolarHBondContact O-N 3.36Å; D529-E532 PolarHBondContact O-N 2.99Å
530H66.1Low68.3Low31 Ų3169.5 Ų69.514%0.14437%0.368CS..Hα-helixtrans-65.8-17.3177.9-163.7-65000113D436 F526 L527 S528 S533D436-H530 IonicContact OD1-CE1 3.98Å; F526-H530 WeakPolarHBondContact O-CB 3.49Å; F526-H530 PolarHBondContact O-N 3.4Å; F526-H530 VanDerWaalsContact O-N 3.09Å; L527-H530 PolarHBondContact O-N 2.63Å; S528-H530 VanDerWaalsContact C-N 3.26Å; S528-H530 PolarHBondContact O-N 3.33Å; H530-S533 PolarHBondContact O-OG 3.02Å
531C55.1Low67.5Low70 Ų7073.8 Ų73.847%0.47339%0.391SS..Hα-helixtrans-74.4-35172.4-84.80000112.8K439 S528 D529 S533 D534K439-C531 PolarHBondContact NZ-SG 2.88Å; S528-C531 WeakPolarHBondContact O-CB 3.35Å; S528-C531 PolarHBondContact O-N 3.35Å; S528-C531 VanDerWaalsContact O-N 3.12Å; D529-C531 PolarHBondContact O-N 3.36Å; C531-S533 PolarHBondContact O-N 2.87Å; C531-D534 PolarHBondContact O-N 3.34Å
532E47.7Very low66.6Low157 Ų15777.2 Ų77.273%0.73441%0.406SS*.Hα-helixtrans-70.2-20.4-174.5-68.5-167.916600113D529D529-E532 PolarHBondContact O-N 2.99Å
533S48Very low65.3Low75 Ų7579.9 Ų79.952%0.52442%0.423SS..THydrogen-bonded Turntrans-80.7-20.2179.948.70000115H530 C531H530-S533 PolarHBondContact O-OG 3.02Å; C531-S533 PolarHBondContact O-N 2.87Å
534D39.3Very low63.6Low115 Ų11586 Ų8662%0.61546%0.455SS*.THydrogen-bonded Turntrans-97.9-11.1-176.4-71-25.5000113.6C531C531-D534 PolarHBondContact O-N 3.34Å
535E32Very low61.6Low186 Ų18691.7 Ų91.787%0.86949%0.485SS*.  trans-92.513.2174.9-73.6-163.8161.500114.7
536M31Very low59.4Low232 Ų23293 Ų93100%1.14349%0.492SS*.  trans-111.50168.8-87.7-159.473.300112

Retrieved 536 of 536 residues in 140 ms (Link to these results)

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