G4V7H6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4V7H6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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
1M42.8Very low64.3Low163 Ų163107.4 Ų107.480%0.80357%0.567SS**  0134.30-84.1161.7128.600108.5D5 K8M1-D5 HydrophobicContact CB-CB 4.1Å; M1-D5 VanDerWaalsContact CB-OD2 3.31Å; M1-D5 WeakPolarHBondContact CB-OD2 3.31Å; M1-D5 HydrophobicContact CE-CB 4.15Å; M1-D5 HydrophobicContact CG-CB 4.32Å; M1-D5 VanDerWaalsContact CG-OD2 3.3Å; M1-D5 WeakPolarHBondContact CG-OD2 3.43Å; M1-D5 HydrophobicContact SD-CB 4.49Å; M1-K8 HydrophobicContact CE-CD 4.4Å
2S33.2Very low66.9Low81 Ų81100 Ų10057%0.56653%0.529SS*.  trans-74.1162176.880.40000109.9K4 D5S2-K4 PolarHBondContact O-N 3.46Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 VanDerWaalsContact O-N 3.1Å
3Q42.9Very low69.1Low196 Ų19698.9 Ų98.992%0.91653%0.528SS*.G310 helixtrans-52.3-13.4178.2-96.1173.5-17.100115.2D5Q3-D5 VanDerWaalsContact C-N 3.27Å; Q3-D5 PolarHBondContact O-N 3.34Å
4K44.3Very low71Confident195 Ų19591.9 Ų91.985%0.84849%0.491SS*.G310 helixtrans-71.2-10.7174.9-80.7-174172.6-178.20115.3S2S2-K4 PolarHBondContact O-N 3.46Å
5D54.7Low72.6Confident55 Ų5591.9 Ų91.929%0.29448%0.482SS..G310 helixtrans-95.74.3-176.8-69.2-50.7000114.6M1 S2 Q3 N7 K8M1-D5 HydrophobicContact CB-CB 4.1Å; M1-D5 VanDerWaalsContact CB-OD2 3.31Å; M1-D5 WeakPolarHBondContact CB-OD2 3.31Å; M1-D5 HydrophobicContact CE-CB 4.15Å; M1-D5 HydrophobicContact CG-CB 4.32Å; M1-D5 VanDerWaalsContact CG-OD2 3.3Å; M1-D5 WeakPolarHBondContact CG-OD2 3.43Å; M1-D5 HydrophobicContact SD-CB 4.49Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 VanDerWaalsContact O-N 3.1Å; Q3-D5 VanDerWaalsContact C-N 3.27Å; Q3-D5 PolarHBondContact O-N 3.34Å; D5-N7 PolarHBondContact O-N 3.3Å; D5-K8 WeakPolarHBondContact O-CB 3.3Å; D5-K8 PolarHBondContact O-N 3.22Å
6A55.9Low73.9Confident56 Ų5690 Ų9046%0.46347%0.472SS..THydrogen-bonded Turntrans-60.1-22-168.900000115.3D29A6-D29 WeakPolarHBondContact O-CA 3.44Å
7N68.5Low74.7Confident135 Ų13585.5 Ų85.572%0.72245%0.45SS*.THydrogen-bonded Turntrans-115.816.2178.1-70.81.7000113.4D5 V9D5-N7 PolarHBondContact O-N 3.3Å; N7-V9 PolarHBondContact O-N 3.48Å
8K86Confident75.1Confident119 Ų11988.3 Ų88.352%0.51746%0.46SS..  trans-73.6112.9179.8-173.5176.5179.5178.60109.5M1 D5 V10M1-K8 HydrophobicContact CE-CD 4.4Å; D5-K8 WeakPolarHBondContact O-CB 3.3Å; D5-K8 PolarHBondContact O-N 3.22Å; K8-V10 PolarHBondContact O-N 3.1Å
9V92.6Very high75.3Confident75 Ų7585.9 Ų85.946%0.45546%0.459SS..  trans-69.7128.1170.4179.30000109.2N7 L47N7-V9 PolarHBondContact O-N 3.48Å; V9-L47 HydrophobicContact CB-CD1 4.37Å; V9-L47 HydrophobicContact CG1-CD1 3.53Å; V9-L47 HydrophobicContact CG2-CD1 3.91Å
10V91.9Very high75.6Confident35 Ų3588 Ų8821%0.21247%0.47CS..EExtended strand (participates in β ladder)trans-114.2120.8173.3-1780000108.2K8 V12 S26 Y27K8-V10 PolarHBondContact O-N 3.1Å; V10-V12 HydrophobicContact CG1-CG1 4.1Å; V10-S26 CarbonylContact O-C 3.57Å; V10-S26 VanDerWaalsContact O-CA 3.28Å; V10-S26 WeakPolarHBondContact O-CA 3.25Å; V10-Y27 HydrophobicContact CB-CD1 4.47Å; V10-Y27 HydrophobicContact CB-CD2 4.2Å; V10-Y27 HydrophobicContact CB-CE1 4.05Å; V10-Y27 HydrophobicContact CB-CE2 3.76Å; V10-Y27 HydrophobicContact CG1-CE1 3.88Å; V10-Y27 HydrophobicContact CG1-CE2 4.14Å; V10-Y27 WeakPolarHBondContact CG1-OH 3.39Å; V10-Y27 HydrophobicContact CG2-CE2 4.13Å; V10-Y27 PolarHBondContact N-O 2.84Å; V10-Y27 PolarHBondContact O-N 3.24Å
11T95Very high76.3Confident71 Ų7191.5 Ų91.544%0.43648%0.481SS..EExtended strand (participates in β ladder)trans-110.3129.8177.1-56.10000109.4E24 I25 S26T11-E24 HydrophobicContact CG2-CG 3.47Å; T11-E24 VanDerWaalsContact CG2-CG 3.47Å; T11-I25 WeakPolarHBondContact CA-O 3.47Å; T11-S26 WeakPolarHBondContact CB-OG 3.48Å; T11-S26 WeakPolarHBondContact CG2-OG 3.24Å; T11-S26 PolarHBondContact OG1-OG 3.38Å
12V94.9Very high78.7Confident19 Ų1987 Ų8712%0.11547%0.466CS..EExtended strand (participates in β ladder)trans-139.9151.2-178.9-63.60000111V10 A14 E24 I25 Y27 F87V10-V12 HydrophobicContact CG1-CG1 4.1Å; V12-A14 HydrophobicContact CG2-CB 4.49Å; V12-E24 WeakPolarHBondContact O-CA 3.38Å; V12-I25 HydrophobicContact CG2-CD1 4.05Å; V12-I25 HydrophobicContact CG2-CG1 3.56Å; V12-I25 PolarHBondContact N-O 3.07Å; V12-I25 PolarHBondContact O-N 3.3Å; V12-Y27 HydrophobicContact CG2-CE1 4.17Å; V12-F87 HydrophobicContact CB-CD2 4.2Å; V12-F87 HydrophobicContact CB-CE2 4.38Å; V12-F87 HydrophobicContact CB-CG 4.41Å; V12-F87 HydrophobicContact CG1-CD2 4.17Å; V12-F87 HydrophobicContact CG1-CE2 3.97Å; V12-F87 HydrophobicContact CG1-CZ 4.45Å; V12-F87 HydrophobicContact CG2-CD1 3.9Å; V12-F87 HydrophobicContact CG2-CD2 4.14Å; V12-F87 HydrophobicContact CG2-CE1 3.93Å; V12-F87 HydrophobicContact CG2-CE2 4.17Å; V12-F87 HydrophobicContact CG2-CG 4.01Å; V12-F87 HydrophobicContact CG2-CZ 4.07Å
13V95.2Very high81.6Confident86 Ų8686.9 Ų86.952%0.52146%0.455SS..EExtended strand (participates in β ladder)trans-84.9114.5165.5-178.90000107.9
14A95.7Very high84.2Confident0 Ų083.8 Ų83.80%044%0.441CS..EExtended strand (participates in β ladder)trans-118.8149-178.400000111.8V12 S22 K23 I25 F87V12-A14 HydrophobicContact CG2-CB 4.49Å; A14-S22 CarbonylContact O-C 3.49Å; A14-S22 VanDerWaalsContact O-CA 3.27Å; A14-S22 WeakPolarHBondContact O-CA 3.29Å; A14-K23 PolarHBondContact N-O 3.11Å; A14-K23 PolarHBondContact O-N 3.03Å; A14-K23 VanDerWaalsContact O-O 3.1Å; A14-I25 HydrophobicContact CB-CD1 3.59Å; A14-I25 HydrophobicContact CB-CG1 3.84Å; A14-F87 HydrophobicContact CB-CB 3.98Å; A14-F87 HydrophobicContact CB-CD1 4.01Å; A14-F87 HydrophobicContact CB-CG 4.39Å
15Y95.8Very high86.6Confident93 Ų9374.8 Ų74.837%0.36540%0.402SS..EExtended strand (participates in β ladder)trans-90140.8176.3-64.6-89.1000109.9Y85 F86Y15-Y85 CarbonylContact O-C 3.59Å; Y15-Y85 WeakPolarHBondContact O-CA 3.5Å; Y15-Y85 WeakPolarHBondContact O-CB 3.45Å; Y15-F86 VanDerWaalsContact CB-CE1 3.48Å; Y15-F86 VanDerWaalsContact CB-CZ 3.41Å; Y15-F86 HydrophobicContact CD2-CD2 4.47Å; Y15-F86 HydrophobicContact CD2-CE2 4.01Å; Y15-F86 HydrophobicContact CD2-CZ 4.33Å; Y15-F86 HydrophobicContact CG-CE1 4.49Å; Y15-F86 HydrophobicContact CG-CE2 4.12Å; Y15-F86 AromaticContact CG-CZ 3.96Å; Y15-F86 HydrophobicContact CG-CZ 3.96Å; Y15-F86 PolarHBondContact N-O 3.38Å; Y15-F86 PolarHBondContact O-N 3.44Å
16L92.8Very high88.6Confident61 Ų6173.6 Ų73.632%0.31940%0.398SS..EExtended strand (participates in β ladder)trans-64.5149.7168.6-73.1162.3000110.1Q18 K21 Y85 F86L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 2.83Å; L16-K21 HydrophobicContact CD1-CB 3.98Å; L16-K21 PolarHBondContact N-O 3.21Å; L16-Y85 HydrophobicContact CD2-CD1 3.94Å; L16-Y85 HydrophobicContact CD2-CE1 3.58Å; L16-F86 WeakPolarHBondContact O-CE1 3.29Å
17C87.2Confident90.5Very high14 Ų1472.3 Ų72.310%0.09538%0.381CS..SBendtrans-55.8-47.9176177.90000112.2R73 L83 K84C17-R73 WeakPolarHBondContact O-CG 3.46Å; C17-R73 PolarHBondContact O-NE 3.31Å; C17-L83 HydrophobicContact CB-CB 4.27Å; C17-L83 HydrophobicContact CB-CD2 4.3Å; C17-L83 HydrophobicContact CB-CG 4.08Å; C17-L83 WeakPolarHBondContact CB-O 3.43Å; C17-L83 PolarHBondContact SG-O 2.86Å; C17-K84 PolarHBondContact N-O 2.8Å
18Q81.7Confident91.8Very high136 Ų13666.5 Ų66.564%0.63635%0.351SS*.SBendtrans-96.9131.7177.4-66.4-176.4-0.200111.3L16L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-Q18 PolarHBondContact O-N 2.83Å
19G79.7Confident92Very high43 Ų4363.7 Ų63.744%0.44334%0.341SS..SBendtrans72.8-177.2-176.200000113.5R73G19-R73 PolarHBondContact O-NH2 3.48Å
20D81.1Confident91.9Very high126 Ų12662.2 Ų62.267%0.67434%0.337SS*.SBendtrans-109.620.9-175.2-62-28.1000112.5S22 R73D20-S22 PolarHBondContact O-N 2.79Å; D20-R73 IonicContact OD1-CZ 2.9Å; D20-R73 IonicContact OD1-NH1 2.96Å; D20-R73 IonicContact OD1-NH2 3.89Å; D20-R73 PolarHBondContact OD1-NH2 3.04Å
21K90.6Very high92.1Very high162 Ų16266.9 Ų66.970%0.70435%0.354SS*.  trans-75.2125.6175.6-70.6-177-177.1179.40109.9L16L16-K21 HydrophobicContact CD1-CB 3.98Å; L16-K21 PolarHBondContact N-O 3.21Å
22S93.2Very high92Very high70 Ų7066.8 Ų66.849%0.4935%0.353SS..EExtended strand (participates in β ladder)trans-93148171.458.60000111.8A14 D20A14-S22 CarbonylContact O-C 3.49Å; A14-S22 VanDerWaalsContact O-CA 3.27Å; A14-S22 WeakPolarHBondContact O-CA 3.29Å; D20-S22 PolarHBondContact O-N 2.79Å
23K94.1Very high91.9Very high77 Ų7768.4 Ų68.434%0.33536%0.361SS..EExtended strand (participates in β ladder)trans-136.1140.3174.1-175.5177.6179.2-175.90109A14 I25 E48A14-K23 PolarHBondContact N-O 3.11Å; A14-K23 PolarHBondContact O-N 3.03Å; A14-K23 VanDerWaalsContact O-O 3.1Å; K23-I25 HydrophobicContact CG-CG2 4.48Å; K23-I25 PolarHBondContact O-N 2.72Å; K23-E48 VanDerWaalsContact CE-OE2 3.27Å; K23-E48 WeakPolarHBondContact CE-OE2 3.36Å; K23-E48 IonicContact NZ-OE1 3.49Å; K23-E48 PolarHBondContact NZ-OE1 3.18Å; K23-E48 IonicContact NZ-OE2 3.59Å; K23-E48 PolarHBondContact NZ-OE2 3.32Å
24E96.5Very high91.6Very high132 Ų13265.4 Ų65.462%0.61735%0.348SS*.EExtended strand (participates in β ladder)trans-73.1125.1167.9-171.8174.7102.200109.3T11 V12T11-E24 HydrophobicContact CG2-CG 3.47Å; T11-E24 VanDerWaalsContact CG2-CG 3.47Å; V12-E24 WeakPolarHBondContact O-CA 3.38Å
25I96Very high91.1Very high5 Ų570.3 Ų70.33%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-122142.817664.7171.8000109.3T11 V12 A14 K23 Y85 V102T11-I25 WeakPolarHBondContact CA-O 3.47Å; V12-I25 HydrophobicContact CG2-CD1 4.05Å; V12-I25 HydrophobicContact CG2-CG1 3.56Å; V12-I25 PolarHBondContact N-O 3.07Å; V12-I25 PolarHBondContact O-N 3.3Å; A14-I25 HydrophobicContact CB-CD1 3.59Å; A14-I25 HydrophobicContact CB-CG1 3.84Å; K23-I25 HydrophobicContact CG-CG2 4.48Å; K23-I25 PolarHBondContact O-N 2.72Å; I25-Y85 HydrophobicContact CD1-CD2 4.1Å; I25-Y85 HydrophobicContact CD1-CG 4.21Å; I25-Y85 HydrophobicContact CG2-CD1 4.43Å; I25-Y85 HydrophobicContact CG2-CE1 4.23Å; I25-Y85 HydrophobicContact CG2-CE2 4.43Å; I25-V102 HydrophobicContact CD1-CG2 4.26Å
26S96.6Very high90.1Very high30 Ų3067.4 Ų67.421%0.2137%0.372CS..EExtended strand (participates in β ladder)trans-121.8136.8174.5-61.90000110.4V10 T11 L47V10-S26 CarbonylContact O-C 3.57Å; V10-S26 VanDerWaalsContact O-CA 3.28Å; V10-S26 WeakPolarHBondContact O-CA 3.25Å; T11-S26 WeakPolarHBondContact CB-OG 3.48Å; T11-S26 WeakPolarHBondContact CG2-OG 3.24Å; T11-S26 PolarHBondContact OG1-OG 3.38Å; S26-L47 PolarHBondContact O-N 3.18Å
27Y95.7Very high89.2Confident29 Ų2969 Ų6911%0.11439%0.388CS..EExtended strand (participates in β ladder)trans-138155.5178.162.1-90.9000113V10 V12 A44 R45 F87V10-Y27 HydrophobicContact CB-CD1 4.47Å; V10-Y27 HydrophobicContact CB-CD2 4.2Å; V10-Y27 HydrophobicContact CB-CE1 4.05Å; V10-Y27 HydrophobicContact CB-CE2 3.76Å; V10-Y27 HydrophobicContact CG1-CE1 3.88Å; V10-Y27 HydrophobicContact CG1-CE2 4.14Å; V10-Y27 WeakPolarHBondContact CG1-OH 3.39Å; V10-Y27 HydrophobicContact CG2-CE2 4.13Å; V10-Y27 PolarHBondContact N-O 2.84Å; V10-Y27 PolarHBondContact O-N 3.24Å; V12-Y27 HydrophobicContact CG2-CE1 4.17Å; Y27-A44 HydrophobicContact CD2-CB 3.78Å; Y27-A44 HydrophobicContact CG-CB 4.32Å; Y27-R45 CarbonylContact C-O 3.58Å; Y27-R45 WeakPolarHBondContact CA-O 3.41Å; Y27-R45 VanDerWaalsContact CB-O 3.3Å; Y27-R45 WeakPolarHBondContact CB-O 3.36Å; Y27-F87 HydrophobicContact CE1-CZ 4.18Å
28T95.9Very high88.8Confident13 Ų1373.7 Ų73.78%0.0841%0.407CS..EExtended strand (participates in β ladder)trans-132.4-178.1179-173.80000110.6A30 A44 R45 L47T28-A30 PolarHBondContact O-N 3.32Å; T28-A44 WeakPolarHBondContact O-CA 3.47Å; T28-R45 HydrophobicContact CG2-CB 4.12Å; T28-R45 HydrophobicContact CG2-CG 4.43Å; T28-R45 PolarHBondContact N-O 3.03Å; T28-R45 PolarHBondContact O-N 3.19Å; T28-L47 HydrophobicContact CG2-CD2 3.61Å
29D89.8Confident89Confident61 Ų6168.3 Ų68.333%0.32639%0.389SS..EExtended strand (participates in β ladder)trans60.632169.8-49.8-12.9000113.1A6 K31 R45A6-D29 WeakPolarHBondContact O-CA 3.44Å; D29-K31 PolarHBondContact O-N 3.38Å; D29-K31 VanDerWaalsContact O-N 3.1Å; D29-R45 IonicContact OD2-NE 3.34Å; D29-R45 PolarHBondContact OD2-NE 2.91Å; D29-R45 VanDerWaalsContact OD2-NE 3.15Å
30A91.1Very high89.7Confident43 Ų4367.7 Ų67.736%0.35538%0.376SS..EExtended strand (participates in β ladder)trans-65111.3-176.400000111.3T28 Q43T28-A30 PolarHBondContact O-N 3.32Å; A30-Q43 CarbonylContact C-O 3.55Å; A30-Q43 VanDerWaalsContact CA-O 3.28Å; A30-Q43 WeakPolarHBondContact CA-O 3.44Å
31K94.5Very high90.4Very high134 Ų13463.6 Ų63.658%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-124.1132.1178.8172.7-178.6173-174.50110.6D29 I33 Y42 Q43D29-K31 PolarHBondContact O-N 3.38Å; D29-K31 VanDerWaalsContact O-N 3.1Å; K31-I33 PolarHBondContact O-N 2.89Å; K31-Y42 CarbonylContact O-C 3.56Å; K31-Y42 WeakPolarHBondContact O-CA 3.36Å; K31-Q43 PolarHBondContact N-O 3.46Å; K31-Q43 PolarHBondContact O-N 2.77Å
32V94.3Very high90.6Very high68 Ų6858.7 Ų58.741%0.41233%0.333SS..EExtended strand (participates in β ladder)trans-64.3125.2172.6179.90000110V40 Y42V32-V40 HydrophobicContact CG1-CG1 3.83Å; V32-V40 HydrophobicContact CG2-CG1 3.99Å; V32-Y42 HydrophobicContact CG2-CD1 3.81Å; V32-Y42 HydrophobicContact CG2-CE1 3.48Å; V32-Y42 VanDerWaalsContact CG2-CE1 3.48Å
33I93.3Very high90.8Very high53 Ų5358 Ų5827%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-115.8-15.617659.1170.7000113K31 V41 Q43 F105K31-I33 PolarHBondContact O-N 2.89Å; I33-V41 HydrophobicContact CD1-CG1 3.88Å; I33-V41 HydrophobicContact CG1-CB 4.15Å; I33-V41 HydrophobicContact CG1-CG1 3.82Å; I33-V41 WeakPolarHBondContact CG1-O 3.41Å; I33-V41 PolarHBondContact N-O 3.1Å; I33-Q43 HydrophobicContact CD1-CB 4.22Å; I33-Q43 HydrophobicContact CG2-CB 3.64Å; I33-F105 HydrophobicContact CD1-CD2 4.25Å; I33-F105 HydrophobicContact CD1-CE2 3.84Å
34G87.5Confident91Very high24 Ų2454.4 Ų54.425%0.24731%0.306CS..EExtended strand (participates in β ladder)trans-157.6147.2175.800000111.8V41G34-V41 PolarHBondContact N-O 3.38Å; G34-V41 PolarHBondContact O-N 2.85Å
35N84.9Confident91Very high103 Ų10351.6 Ų51.655%0.55129%0.29SS*.EExtended strand (participates in β ladder)trans-140.9135.8174.7-167-11.4000108.3G39N35-G39 PolarHBondContact OD1-O 3.36Å
36G75.8Confident91.1Very high31 Ų3151.7 Ų51.732%0.3229%0.291SS..EExtended strand (participates in β ladder)trans-157.7179.7-179.600000111.7F38 G39G36-F38 PolarHBondContact O-N 3.44Å; G36-G39 PolarHBondContact N-O 2.87Å; G36-G39 PolarHBondContact O-N 2.9Å
37S74Confident91Very high95 Ų9554.4 Ų54.466%0.66430%0.302SS*.THydrogen-bonded Turntrans-53.3-29.8-179.948.80000113.7
38F77.9Confident91Very high112 Ų11259.2 Ų59.249%0.49133%0.326SS..THydrogen-bonded Turntrans-89.8-9-175.8-53.6-68.3000113.9G36 V58G36-F38 PolarHBondContact O-N 3.44Å; F38-V58 WeakPolarHBondContact O-CB 3.27Å; F38-V58 VanDerWaalsContact O-CG1 3.24Å; F38-V58 WeakPolarHBondContact O-CG1 3.38Å
39G87Confident90.9Very high24 Ų2462.3 Ų62.325%0.24735%0.345CS..EExtended strand (participates in β ladder)trans139.7-157.6179.300000114.3N35 G36 K57N35-G39 PolarHBondContact OD1-O 3.36Å; G36-G39 PolarHBondContact N-O 2.87Å; G36-G39 PolarHBondContact O-N 2.9Å; G39-K57 WeakPolarHBondContact CA-O 3.3Å
40V93.7Very high91.2Very high30 Ų3064.3 Ų64.318%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-122.8135.7-172.6-172.50000110V32 Y42 K57V32-V40 HydrophobicContact CG1-CG1 3.83Å; V32-V40 HydrophobicContact CG2-CG1 3.99Å; V40-Y42 HydrophobicContact CB-CE2 3.77Å; V40-Y42 HydrophobicContact CG1-CD2 4.21Å; V40-Y42 HydrophobicContact CG1-CE1 4.13Å; V40-Y42 HydrophobicContact CG1-CE2 3.56Å; V40-K57 PolarHBondContact N-O 2.83Å; V40-K57 PolarHBondContact O-N 2.89Å
41V95.8Very high91.5Very high40 Ų4065.6 Ų65.624%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-108.1127.2174.9-171.20000109.3I33 G34 A54 V55 K56I33-V41 HydrophobicContact CD1-CG1 3.88Å; I33-V41 HydrophobicContact CG1-CB 4.15Å; I33-V41 HydrophobicContact CG1-CG1 3.82Å; I33-V41 WeakPolarHBondContact CG1-O 3.41Å; I33-V41 PolarHBondContact N-O 3.1Å; G34-V41 PolarHBondContact N-O 3.38Å; G34-V41 PolarHBondContact O-N 2.85Å; V41-A54 HydrophobicContact CG1-CB 4.3Å; V41-V55 WeakPolarHBondContact CA-O 3.28Å; V41-K56 HydrophobicContact CG2-CB 4.36Å; V41-K56 HydrophobicContact CG2-CG 4.12Å
42Y95.9Very high91.6Very high58 Ų5861.3 Ų61.323%0.22734%0.337CS..EExtended strand (participates in β ladder)trans-108.9142.1176.1-56.2-97.8000110.1K31 V32 V40 A54 V55 K57K31-Y42 CarbonylContact O-C 3.56Å; K31-Y42 WeakPolarHBondContact O-CA 3.36Å; V32-Y42 HydrophobicContact CG2-CD1 3.81Å; V32-Y42 HydrophobicContact CG2-CE1 3.48Å; V32-Y42 VanDerWaalsContact CG2-CE1 3.48Å; V40-Y42 HydrophobicContact CB-CE2 3.77Å; V40-Y42 HydrophobicContact CG1-CD2 4.21Å; V40-Y42 HydrophobicContact CG1-CE1 4.13Å; V40-Y42 HydrophobicContact CG1-CE2 3.56Å; Y42-A54 CarbonylContact O-C 3.54Å; Y42-A54 VanDerWaalsContact O-CA 3.27Å; Y42-A54 WeakPolarHBondContact O-CA 3.28Å; Y42-V55 PolarHBondContact N-O 2.86Å; Y42-V55 PolarHBondContact O-N 3.35Å; Y42-K57 HydrophobicContact CE2-CB 4.05Å; Y42-K57 HydrophobicContact CE2-CD 4.37Å
43Q97Very high91.8Very high56 Ų5658 Ų5826%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-83.6136.5155.3-179-175.2-20.500107.6A30 K31 I33 I52 V53 F105A30-Q43 CarbonylContact C-O 3.55Å; A30-Q43 VanDerWaalsContact CA-O 3.28Å; A30-Q43 WeakPolarHBondContact CA-O 3.44Å; K31-Q43 PolarHBondContact N-O 3.46Å; K31-Q43 PolarHBondContact O-N 2.77Å; I33-Q43 HydrophobicContact CD1-CB 4.22Å; I33-Q43 HydrophobicContact CG2-CB 3.64Å; Q43-I52 HydrophobicContact CG-CG2 3.56Å; Q43-V53 WeakPolarHBondContact CA-O 3.49Å; Q43-F105 HydrophobicContact CB-CE2 4.32Å; Q43-F105 HydrophobicContact CG-CD2 4.22Å; Q43-F105 HydrophobicContact CG-CE2 4.07Å; Q43-F105 HydrophobicContact CG-CZ 4.42Å
44A97Very high92Very high1 Ų156 Ų561%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-142.9167.1173.900000110.3Y27 T28 I52 V53 V55Y27-A44 HydrophobicContact CD2-CB 3.78Å; Y27-A44 HydrophobicContact CG-CB 4.32Å; T28-A44 WeakPolarHBondContact O-CA 3.47Å; A44-I52 CarbonylContact O-C 3.49Å; A44-I52 WeakPolarHBondContact O-CA 3.1Å; A44-V53 HydrophobicContact CB-CG2 4.14Å; A44-V53 PolarHBondContact N-O 3.21Å; A44-V53 PolarHBondContact O-N 2.92Å; A44-V55 HydrophobicContact CB-CG2 4.26Å
45R97.4Very high92.5Very high73 Ų7355.1 Ų55.128%0.27530%0.298SS..EExtended strand (participates in β ladder)trans-117.7122.9176.9176.1-173.5-63.9-754.5110Y27 T28 D29 D50 E51 I52Y27-R45 CarbonylContact C-O 3.58Å; Y27-R45 WeakPolarHBondContact CA-O 3.41Å; Y27-R45 VanDerWaalsContact CB-O 3.3Å; Y27-R45 WeakPolarHBondContact CB-O 3.36Å; T28-R45 HydrophobicContact CG2-CB 4.12Å; T28-R45 HydrophobicContact CG2-CG 4.43Å; T28-R45 PolarHBondContact N-O 3.03Å; T28-R45 PolarHBondContact O-N 3.19Å; D29-R45 IonicContact OD2-NE 3.34Å; D29-R45 PolarHBondContact OD2-NE 2.91Å; D29-R45 VanDerWaalsContact OD2-NE 3.15Å; R45-D50 WeakPolarHBondContact CD-OD1 3.48Å; R45-D50 IonicContact CZ-OD1 3.15Å; R45-D50 IonicContact NE-OD1 3.35Å; R45-D50 PolarHBondContact NH1-O 2.9Å; R45-D50 VanDerWaalsContact NH1-O 3.13Å; R45-D50 IonicContact NH1-OD1 3.38Å; R45-D50 PolarHBondContact NH1-OD1 2.83Å; R45-D50 IonicContact NH1-OD2 2.83Å; R45-E51 WeakPolarHBondContact CA-O 3.24Å; R45-I52 HydrophobicContact CB-CD1 3.99Å; R45-I52 HydrophobicContact CG-CD1 4.23Å; R45-I52 VanDerWaalsContact CZ-CD1 3.48Å
46L97Very high93Very high8 Ų851 Ų514%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-70.5131.1173-65.1-179.6000109.9D50 E51 V53 Y85L46-D50 WeakPolarHBondContact O-CA 3.45Å; L46-D50 PolarHBondContact O-N 3.01Å; L46-E51 HydrophobicContact CD1-CB 4.47Å; L46-E51 PolarHBondContact N-O 3.15Å; L46-V53 HydrophobicContact CD1-CG1 3.76Å; L46-V53 HydrophobicContact CD2-CG2 4.21Å; L46-V53 HydrophobicContact CG-CG1 3.84Å; L46-V53 HydrophobicContact CG-CG2 4.13Å; L46-Y85 HydrophobicContact CD1-CE2 4.16Å
47L96Very high93.9Very high86 Ų8651.9 Ų51.945%0.4527%0.271SS..THydrogen-bonded Turntrans-73.5-34.1-177.5-70.7-174.9000113.6V9 S26 T28V9-L47 HydrophobicContact CB-CD1 4.37Å; V9-L47 HydrophobicContact CG1-CD1 3.53Å; V9-L47 HydrophobicContact CG2-CD1 3.91Å; S26-L47 PolarHBondContact O-N 3.18Å; T28-L47 HydrophobicContact CG2-CD2 3.61Å
48E94.6Very high94.9Very high131 Ų13147.7 Ų47.761%0.61224%0.241SC*.THydrogen-bonded Turntrans-70.2-37.7-176.8-174.5-174.6179.100112.2K23K23-E48 VanDerWaalsContact CE-OE2 3.27Å; K23-E48 WeakPolarHBondContact CE-OE2 3.36Å; K23-E48 IonicContact NZ-OE1 3.49Å; K23-E48 PolarHBondContact NZ-OE1 3.18Å; K23-E48 IonicContact NZ-OE2 3.59Å; K23-E48 PolarHBondContact NZ-OE2 3.32Å
49T95.4Very high95.5Very high77 Ų7747.4 Ų47.447%0.47224%0.244SC..THydrogen-bonded Turntrans-113.5-5.5-172.258.50000113.9E51T49-E51 PolarHBondContact O-N 3.03Å; T49-E51 VanDerWaalsContact OG1-CB 3.29Å; T49-E51 WeakPolarHBondContact OG1-CB 3.2Å; T49-E51 PolarHBondContact OG1-N 2.83Å
50D95.9Very high95.6Very high103 Ų10347.3 Ų47.355%0.55124%0.237SC*.  trans57.59.1-169.1-163.335000114.6R45 L46R45-D50 WeakPolarHBondContact CD-OD1 3.48Å; R45-D50 IonicContact CZ-OD1 3.15Å; R45-D50 IonicContact NE-OD1 3.35Å; R45-D50 PolarHBondContact NH1-O 2.9Å; R45-D50 VanDerWaalsContact NH1-O 3.13Å; R45-D50 IonicContact NH1-OD1 3.38Å; R45-D50 PolarHBondContact NH1-OD1 2.83Å; R45-D50 IonicContact NH1-OD2 2.83Å; L46-D50 WeakPolarHBondContact O-CA 3.45Å; L46-D50 PolarHBondContact O-N 3.01Å
51E96.6Very high95.3Very high70 Ų7048.9 Ų48.933%0.32725%0.245SC..  trans-71.9135.4-175.6-175.5179.9-165.100111.8R45 L46 T49 V53 K84R45-E51 WeakPolarHBondContact CA-O 3.24Å; L46-E51 HydrophobicContact CD1-CB 4.47Å; L46-E51 PolarHBondContact N-O 3.15Å; T49-E51 PolarHBondContact O-N 3.03Å; T49-E51 VanDerWaalsContact OG1-CB 3.29Å; T49-E51 WeakPolarHBondContact OG1-CB 3.2Å; T49-E51 PolarHBondContact OG1-N 2.83Å; E51-V53 HydrophobicContact CG-CG1 4.44Å; E51-K84 WeakPolarHBondContact OE1-CE 3.38Å; E51-K84 IonicContact OE1-NZ 2.66Å; E51-K84 PolarHBondContact OE1-NZ 2.75Å; E51-K84 WeakPolarHBondContact OE2-CE 3.43Å; E51-K84 IonicContact OE2-NZ 2.72Å; E51-K84 PolarHBondContact OE2-NZ 2.66Å
52I97.5Very high94.6Very high44 Ų4454.3 Ų54.323%0.22626%0.261CS..EExtended strand (participates in β ladder)trans-78.7130.9170-52.7-58.5000109.9Q43 A44 R45 F105Q43-I52 HydrophobicContact CG-CG2 3.56Å; A44-I52 CarbonylContact O-C 3.49Å; A44-I52 WeakPolarHBondContact O-CA 3.1Å; R45-I52 HydrophobicContact CB-CD1 3.99Å; R45-I52 HydrophobicContact CG-CD1 4.23Å; R45-I52 VanDerWaalsContact CZ-CD1 3.48Å; I52-F105 HydrophobicContact CB-CB 4.28Å; I52-F105 HydrophobicContact CB-CD1 4.24Å; I52-F105 HydrophobicContact CB-CG 4.46Å; I52-F105 HydrophobicContact CG2-CB 3.77Å; I52-F105 HydrophobicContact CG2-CD1 3.55Å; I52-F105 HydrophobicContact CG2-CD2 4.27Å; I52-F105 HydrophobicContact CG2-CE1 4.18Å; I52-F105 HydrophobicContact CG2-CG 3.59Å; I52-F105 VanDerWaalsContact O-CB 3.31Å; I52-F105 WeakPolarHBondContact O-CB 3.5Å
53V98Very high93.9Very high0 Ų060 Ų600%028%0.282CS..EExtended strand (participates in β ladder)trans-127.5157.4179.7-65.90000111.4Q43 A44 L46 E51 V55 K84 V102 L103Q43-V53 WeakPolarHBondContact CA-O 3.49Å; A44-V53 HydrophobicContact CB-CG2 4.14Å; A44-V53 PolarHBondContact N-O 3.21Å; A44-V53 PolarHBondContact O-N 2.92Å; L46-V53 HydrophobicContact CD1-CG1 3.76Å; L46-V53 HydrophobicContact CD2-CG2 4.21Å; L46-V53 HydrophobicContact CG-CG1 3.84Å; L46-V53 HydrophobicContact CG-CG2 4.13Å; E51-V53 HydrophobicContact CG-CG1 4.44Å; V53-V55 HydrophobicContact CG2-CG2 4.31Å; V53-K84 HydrophobicContact CG1-CD 4.08Å; V53-V102 HydrophobicContact CB-CG1 3.88Å; V53-V102 HydrophobicContact CG1-CG1 4.1Å; V53-V102 HydrophobicContact CG2-CG1 3.93Å; V53-L103 WeakPolarHBondContact CA-O 3.49Å; V53-L103 WeakPolarHBondContact CB-O 3.47Å
54A97.8Very high93.2Very high11 Ų1162.7 Ų62.79%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-102.5127.7167.800000109.5V41 Y42 L103 F105V41-A54 HydrophobicContact CG1-CB 4.3Å; Y42-A54 CarbonylContact O-C 3.54Å; Y42-A54 VanDerWaalsContact O-CA 3.27Å; Y42-A54 WeakPolarHBondContact O-CA 3.28Å; A54-L103 HydrophobicContact CB-CB 4.29Å; A54-L103 PolarHBondContact N-O 2.96Å; A54-L103 WeakPolarHBondContact O-CB 3.45Å; A54-L103 PolarHBondContact O-N 2.94Å; A54-F105 HydrophobicContact CB-CD2 4.33Å
55V96.8Very high92.7Very high4 Ų470.9 Ų70.92%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-109.8105.1177.6-173.40000108.8V41 Y42 A44 V53 F87 N100 L101 V102V41-V55 WeakPolarHBondContact CA-O 3.28Å; Y42-V55 PolarHBondContact N-O 2.86Å; Y42-V55 PolarHBondContact O-N 3.35Å; A44-V55 HydrophobicContact CB-CG2 4.26Å; V53-V55 HydrophobicContact CG2-CG2 4.31Å; V55-F87 HydrophobicContact CG1-CZ 4.5Å; V55-N100 HydrophobicContact CG1-CB 4.06Å; V55-L101 CarbonylContact C-O 3.48Å; V55-L101 WeakPolarHBondContact CA-O 3.43Å; V55-V102 HydrophobicContact CG2-CG2 4.44Å
56K96.2Very high92.5Very high17 Ų1768.9 Ų68.97%0.07432%0.323CS..EExtended strand (participates in β ladder)trans-86.9110.2173.9-172.7-174.9-167.8-171.80108.9V41 V58 E68 N100 L101 L103 D171V41-K56 HydrophobicContact CG2-CB 4.36Å; V41-K56 HydrophobicContact CG2-CG 4.12Å; K56-V58 HydrophobicContact CD-CG1 4.21Å; K56-V58 HydrophobicContact CG-CG1 3.94Å; K56-E68 IonicContact NZ-OE1 2.77Å; K56-E68 PolarHBondContact NZ-OE1 3.23Å; K56-E68 IonicContact NZ-OE2 3.81Å; K56-E68 PolarHBondContact NZ-OE2 2.91Å; K56-N100 CarbonylContact O-C 3.55Å; K56-N100 WeakPolarHBondContact O-CA 3.21Å; K56-L101 HydrophobicContact CB-CB 4.3Å; K56-L101 HydrophobicContact CD-CD1 4.45Å; K56-L101 PolarHBondContact N-O 3.05Å; K56-L101 PolarHBondContact O-N 3.37Å; K56-L103 HydrophobicContact CB-CD1 4.26Å; K56-D171 IonicContact NZ-OD1 2.7Å; K56-D171 PolarHBondContact NZ-OD1 2.89Å
57K95.1Very high92.4Very high49 Ų4972.6 Ų72.621%0.21334%0.337CS..EExtended strand (participates in β ladder)trans-98.9115.7177.5-178.2176.1179.3178.60109.6G39 V40 Y42 Y98 L99 N100G39-K57 WeakPolarHBondContact CA-O 3.3Å; V40-K57 PolarHBondContact N-O 2.83Å; V40-K57 PolarHBondContact O-N 2.89Å; Y42-K57 HydrophobicContact CE2-CB 4.05Å; Y42-K57 HydrophobicContact CE2-CD 4.37Å; K57-Y98 HydrophobicContact CD-CD1 4.27Å; K57-Y98 HydrophobicContact CD-CG 4.33Å; K57-Y98 VanDerWaalsContact CE-CD1 3.43Å; K57-Y98 HydrophobicContact CG-CD1 3.9Å; K57-Y98 HydrophobicContact CG-CG 4.14Å; K57-L99 WeakPolarHBondContact CA-O 3.46Å; K57-N100 WeakPolarHBondContact CB-OD1 3.5Å; K57-N100 WeakPolarHBondContact CG-OD1 3.29Å
58V93.6Very high92.4Very high8 Ų869 Ų695%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-121.6144.5179.7-54.20000110.1F38 K56 Q60 Y98 L99F38-V58 WeakPolarHBondContact O-CB 3.27Å; F38-V58 VanDerWaalsContact O-CG1 3.24Å; F38-V58 WeakPolarHBondContact O-CG1 3.38Å; K56-V58 HydrophobicContact CD-CG1 4.21Å; K56-V58 HydrophobicContact CG-CG1 3.94Å; V58-Q60 PolarHBondContact O-N 2.83Å; V58-Y98 CarbonylContact O-C 3.45Å; V58-Y98 VanDerWaalsContact O-CA 3.24Å; V58-Y98 WeakPolarHBondContact O-CA 3.08Å; V58-L99 HydrophobicContact CG2-CB 3.86Å; V58-L99 HydrophobicContact CG2-CD2 4.27Å; V58-L99 HydrophobicContact CG2-CG 4.31Å; V58-L99 PolarHBondContact N-O 3.01Å; V58-L99 PolarHBondContact O-N 2.93Å
59L91.1Very high92.4Very high105 Ų10563.8 Ų63.855%0.5529%0.293SS..EExtended strand (participates in β ladder)trans-68.2130.5172.8-174.468.6000108.5D96 Y98L59-D96 HydrophobicContact CD1-CB 4.41Å; L59-Y98 HydrophobicContact CB-CD1 4.35Å; L59-Y98 HydrophobicContact CB-CE1 4.15Å; L59-Y98 HydrophobicContact CD1-CD1 4.19Å; L59-Y98 HydrophobicContact CD1-CE1 3.75Å; L59-Y98 HydrophobicContact CD1-CE2 4.45Å
60Q90Very high92.4Very high23 Ų2364.1 Ų64.111%0.10729%0.29CS..  trans-106.9117.6-177.1-177.65931.600110.2V58 R62 F64 N66 V97 L99V58-Q60 PolarHBondContact O-N 2.83Å; Q60-R62 PolarHBondContact O-N 2.77Å; Q60-F64 PolarHBondContact NE2-O 3.49Å; Q60-N66 PolarHBondContact OE1-ND2 2.88Å; Q60-V97 WeakPolarHBondContact CA-O 3.4Å; Q60-V97 HydrophobicContact CB-CB 4.48Å; Q60-V97 HydrophobicContact CB-CG1 4.26Å; Q60-V97 WeakPolarHBondContact CB-O 3.33Å; Q60-V97 PolarHBondContact N-O 2.87Å; Q60-L99 HydrophobicContact CB-CB 4.13Å
61D85.8Confident92.5Very high62 Ų6259.4 Ų59.433%0.33227%0.265SS..  trans-69.8119.3164.7-168.5-31.2000108.8R63 F64D61-R63 PolarHBondContact O-N 3.01Å; D61-R63 VanDerWaalsContact OD1-CB 3.29Å; D61-R63 WeakPolarHBondContact OD1-CB 3.41Å; D61-R63 WeakPolarHBondContact OD1-CG 3.4Å; D61-R63 IonicContact OD1-CZ 3.9Å; D61-R63 PolarHBondContact OD1-N 3.05Å; D61-R63 IonicContact OD1-NE 3.03Å; D61-R63 PolarHBondContact OD1-NE 3.02Å; D61-R63 IonicContact OD1-NH2 3.87Å; D61-R63 IonicContact OD2-CZ 3.4Å; D61-R63 IonicContact OD2-NE 3.24Å; D61-R63 PolarHBondContact OD2-NE 2.82Å; D61-R63 IonicContact OD2-NH2 2.72Å; D61-R63 PolarHBondContact OD2-NH2 2.87Å; D61-F64 HydrophobicContact CB-CD2 4.22Å; D61-F64 PolarHBondContact O-N 2.88Å; D61-F64 VanDerWaalsContact O-O 3.07Å
62R81.2Confident92.6Very high154 Ų15456.3 Ų56.358%0.58125%0.25SS*.THydrogen-bonded Turntrans-63.9-19.3-178.7-63.9-175.9-177.1-144.6-2.2113.1Q60 D95 V97Q60-R62 PolarHBondContact O-N 2.77Å; R62-D95 PolarHBondContact NE-O 3.2Å; R62-D95 VanDerWaalsContact NE-O 3.11Å; R62-D95 PolarHBondContact NH2-O 3.34Å; R62-V97 HydrophobicContact CG-CB 4.42Å; R62-V97 HydrophobicContact CG-CG2 4.09Å
63R81.4Confident92.5Very high177 Ų17758.2 Ų58.267%0.66825%0.254SS*.THydrogen-bonded Turntrans-80-21-177.1-61.4173.2-68.1-177.61.4112.8D61D61-R63 PolarHBondContact O-N 3.01Å; D61-R63 VanDerWaalsContact OD1-CB 3.29Å; D61-R63 WeakPolarHBondContact OD1-CB 3.41Å; D61-R63 WeakPolarHBondContact OD1-CG 3.4Å; D61-R63 IonicContact OD1-CZ 3.9Å; D61-R63 PolarHBondContact OD1-N 3.05Å; D61-R63 IonicContact OD1-NE 3.03Å; D61-R63 PolarHBondContact OD1-NE 3.02Å; D61-R63 IonicContact OD1-NH2 3.87Å; D61-R63 IonicContact OD2-CZ 3.4Å; D61-R63 IonicContact OD2-NE 3.24Å; D61-R63 PolarHBondContact OD2-NE 2.82Å; D61-R63 IonicContact OD2-NH2 2.72Å; D61-R63 PolarHBondContact OD2-NH2 2.87Å
64F82.9Confident92.4Very high114 Ų11463.1 Ų63.150%0.528%0.278SS..SBendtrans-126.1145.8-171.1-58.9-75.1000111.5Q60 D61Q60-F64 PolarHBondContact NE2-O 3.49Å; D61-F64 HydrophobicContact CB-CD2 4.22Å; D61-F64 PolarHBondContact O-N 2.88Å; D61-F64 VanDerWaalsContact O-O 3.07Å
65K87.2Confident92.4Very high172 Ų17263.3 Ų63.375%0.74828%0.277SS*.  trans-71.3141.2167.6-67.8-176.7-179.9177.40109R67K65-R67 PolarHBondContact O-N 2.85Å
66N92.3Very high92.3Very high31 Ų3167.6 Ų67.617%0.16630%0.3CS..  trans-75115.3177-167.7-72000110.6Q60 E68 L69 Q70 L99Q60-N66 PolarHBondContact OE1-ND2 2.88Å; N66-E68 VanDerWaalsContact C-N 3.34Å; N66-E68 PolarHBondContact O-N 2.87Å; N66-E68 WeakPolarHBondContact OD1-CA 3.27Å; N66-E68 VanDerWaalsContact OD1-CB 3.29Å; N66-E68 WeakPolarHBondContact OD1-CB 3.21Å; N66-E68 PolarHBondContact OD1-N 2.74Å; N66-L69 HydrophobicContact CB-CB 4.03Å; N66-L69 PolarHBondContact O-N 2.83Å; N66-L69 PolarHBondContact OD1-N 2.87Å; N66-L69 VanDerWaalsContact OD1-N 3.09Å; N66-Q70 WeakPolarHBondContact O-CG 3.15Å; N66-Q70 PolarHBondContact O-N 3.25Å; N66-L99 HydrophobicContact CB-CD2 3.58Å; N66-L99 VanDerWaalsContact CG-CD2 3.47Å
67R94.5Very high92.4Very high87 Ų8767.2 Ų67.233%0.32830%0.298SS..Hα-helixtrans-61-40.2-179.4-173.8-178.1-62.91730.5112.6K65 Q70 I71 A175 D383K65-R67 PolarHBondContact O-N 2.85Å; R67-Q70 PolarHBondContact O-N 2.73Å; R67-I71 HydrophobicContact CG-CD1 3.96Å; R67-I71 WeakPolarHBondContact O-CB 3.15Å; R67-I71 WeakPolarHBondContact O-CG1 3.5Å; R67-I71 PolarHBondContact O-N 3.36Å; R67-A175 WeakPolarHBondContact CD-O 3.27Å; R67-D383 IonicContact NH2-OD2 3.94Å; R67-D383 PolarHBondContact NH2-OD2 3.26Å
68E95.6Very high92.5Very high10 Ų1066.7 Ų66.75%0.04730%0.3CS..Hα-helixtrans-60.4-48177.7179.6171.8-162.700110.4K56 N66 Q70 I71 M72 L101 F172 G173K56-E68 IonicContact NZ-OE1 2.77Å; K56-E68 PolarHBondContact NZ-OE1 3.23Å; K56-E68 IonicContact NZ-OE2 3.81Å; K56-E68 PolarHBondContact NZ-OE2 2.91Å; N66-E68 VanDerWaalsContact C-N 3.34Å; N66-E68 PolarHBondContact O-N 2.87Å; N66-E68 WeakPolarHBondContact OD1-CA 3.27Å; N66-E68 VanDerWaalsContact OD1-CB 3.29Å; N66-E68 WeakPolarHBondContact OD1-CB 3.21Å; N66-E68 PolarHBondContact OD1-N 2.74Å; E68-Q70 PolarHBondContact O-N 3.13Å; E68-I71 PolarHBondContact O-N 3.06Å; E68-M72 HydrophobicContact CG-CG 4.28Å; E68-M72 HydrophobicContact CG-SD 4.2Å; E68-M72 WeakPolarHBondContact O-CB 3.43Å; E68-M72 VanDerWaalsContact O-CG 3.29Å; E68-M72 WeakPolarHBondContact O-CG 3.45Å; E68-M72 PolarHBondContact O-N 2.7Å; E68-L101 HydrophobicContact CG-CD1 4.02Å; E68-F172 HydrophobicContact CG-CB 4Å; E68-F172 PolarHBondContact OE1-N 3.31Å; E68-G173 PolarHBondContact OE1-N 2.77Å; E68-G173 WeakPolarHBondContact OE2-CA 3.38Å
69L95.8Very high92.7Very high21 Ų2166.5 Ų66.511%0.1130%0.298CS..Hα-helixtrans-59.1-45.7174.9177.361.3000112.3N66 I71 M72 R73 L83 F86 L99 L101N66-L69 HydrophobicContact CB-CB 4.03Å; N66-L69 PolarHBondContact O-N 2.83Å; N66-L69 PolarHBondContact OD1-N 2.87Å; N66-L69 VanDerWaalsContact OD1-N 3.09Å; L69-I71 VanDerWaalsContact C-N 3.31Å; L69-I71 PolarHBondContact O-N 3.13Å; L69-M72 PolarHBondContact O-N 2.96Å; L69-R73 HydrophobicContact CD1-CG 4.04Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 2.85Å; L69-L83 HydrophobicContact CD1-CD2 3.78Å; L69-F86 HydrophobicContact CD1-CB 3.94Å; L69-F86 HydrophobicContact CD1-CD1 3.77Å; L69-F86 HydrophobicContact CD1-CD2 4.04Å; L69-F86 HydrophobicContact CD1-CE1 4.27Å; L69-F86 HydrophobicContact CD1-CG 3.63Å; L69-F86 HydrophobicContact CD2-CD2 3.78Å; L69-F86 HydrophobicContact CD2-CE2 3.93Å; L69-F86 HydrophobicContact CD2-CG 4.26Å; L69-L99 HydrophobicContact CB-CD2 4.02Å; L69-L99 HydrophobicContact CD2-CD1 4.09Å; L69-L99 HydrophobicContact CD2-CD2 4.17Å; L69-L101 HydrophobicContact CB-CD2 4.35Å; L69-L101 HydrophobicContact CD1-CD2 3.8Å
70Q96Very high93.1Very high84 Ų8461.7 Ų61.739%0.39327%0.273SS..Hα-helixtrans-60.4-41.8179.4-73.3178.1-48.800112.1N66 R67 E68 Q74N66-Q70 WeakPolarHBondContact O-CG 3.15Å; N66-Q70 PolarHBondContact O-N 3.25Å; R67-Q70 PolarHBondContact O-N 2.73Å; E68-Q70 PolarHBondContact O-N 3.13Å; Q70-Q74 WeakPolarHBondContact O-CG 3.4Å; Q70-Q74 PolarHBondContact O-NE2 3.38Å
71I97.6Very high93.5Very high5 Ų560.9 Ų60.93%0.02627%0.27CS..Hα-helixtrans-66.9-54176.4-75.3172.1000109.7R67 E68 L69 R73 Q74 L75 I148 F172 A175R67-I71 HydrophobicContact CG-CD1 3.96Å; R67-I71 WeakPolarHBondContact O-CB 3.15Å; R67-I71 WeakPolarHBondContact O-CG1 3.5Å; R67-I71 PolarHBondContact O-N 3.36Å; E68-I71 PolarHBondContact O-N 3.06Å; L69-I71 VanDerWaalsContact C-N 3.31Å; L69-I71 PolarHBondContact O-N 3.13Å; I71-R73 VanDerWaalsContact C-N 3.25Å; I71-R73 PolarHBondContact O-N 3.27Å; I71-Q74 WeakPolarHBondContact O-CB 3.5Å; I71-Q74 PolarHBondContact O-N 2.94Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.35Å; I71-L75 WeakPolarHBondContact O-CG 3.29Å; I71-I148 HydrophobicContact CD1-CG2 4.26Å; I71-I148 HydrophobicContact CG2-CD1 4.22Å; I71-I148 HydrophobicContact CG2-CG2 4.09Å; I71-F172 HydrophobicContact CG2-CB 4.24Å; I71-F172 HydrophobicContact CG2-CD1 3.69Å; I71-F172 HydrophobicContact CG2-CE1 4.42Å; I71-F172 HydrophobicContact CG2-CG 4.18Å; I71-A175 HydrophobicContact CD1-CB 3.63Å; I71-A175 WeakPolarHBondContact CD1-O 3.38Å; I71-A175 HydrophobicContact CG2-CB 4.49Å
72M97.6Very high94Very high5 Ų562.3 Ų62.33%0.02527%0.274CS..Hα-helixtrans-60-31.9-175-70.1-161.176.900113.7E68 L69 Q74 L75 V81 L83 L101 L103 F172E68-M72 HydrophobicContact CG-CG 4.28Å; E68-M72 HydrophobicContact CG-SD 4.2Å; E68-M72 WeakPolarHBondContact O-CB 3.43Å; E68-M72 VanDerWaalsContact O-CG 3.29Å; E68-M72 WeakPolarHBondContact O-CG 3.45Å; E68-M72 PolarHBondContact O-N 2.7Å; L69-M72 PolarHBondContact O-N 2.96Å; M72-Q74 PolarHBondContact O-N 3.31Å; M72-L75 PolarHBondContact O-N 3.18Å; M72-V81 HydrophobicContact CE-CG1 3.92Å; M72-L83 HydrophobicContact CB-CB 4.27Å; M72-L83 HydrophobicContact CB-CD2 3.96Å; M72-L83 HydrophobicContact CE-CB 4.06Å; M72-L101 HydrophobicContact SD-CD1 4.2Å; M72-L103 HydrophobicContact CE-CD2 3.27Å; M72-L103 HydrophobicContact SD-CD2 3.93Å; M72-F172 HydrophobicContact CG-CB 4.13Å; M72-F172 HydrophobicContact CG-CD2 4.18Å; M72-F172 HydrophobicContact CG-CG 4.32Å
73R96.3Very high94.8Very high83 Ų8355.3 Ų55.331%0.31325%0.248SC..THydrogen-bonded Turntrans-64.1-18.2174.2-73-175.678.5-169.49.8114.1C17 G19 D20 L69 I71 L83C17-R73 WeakPolarHBondContact O-CG 3.46Å; C17-R73 PolarHBondContact O-NE 3.31Å; G19-R73 PolarHBondContact O-NH2 3.48Å; D20-R73 IonicContact OD1-CZ 2.9Å; D20-R73 IonicContact OD1-NH1 2.96Å; D20-R73 IonicContact OD1-NH2 3.89Å; D20-R73 PolarHBondContact OD1-NH2 3.04Å; L69-R73 HydrophobicContact CD1-CG 4.04Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 2.85Å; I71-R73 VanDerWaalsContact C-N 3.25Å; I71-R73 PolarHBondContact O-N 3.27Å; R73-L83 HydrophobicContact CG-CD2 4.13Å
74Q95.5Very high95.5Very high104 Ų10448.7 Ų48.749%0.48623%0.225SC..THydrogen-bonded Turntrans-97.1-3.8179.6-60.2172.561.400113Q70 I71 M72 K146Q70-Q74 WeakPolarHBondContact O-CG 3.4Å; Q70-Q74 PolarHBondContact O-NE2 3.38Å; I71-Q74 WeakPolarHBondContact O-CB 3.5Å; I71-Q74 PolarHBondContact O-N 2.94Å; M72-Q74 PolarHBondContact O-N 3.31Å; Q74-K146 WeakPolarHBondContact O-CE 3.41Å
75L97.1Very high96.2Very high15 Ų1544.7 Ų44.78%0.07921%0.207CC..  trans-102.8125.7-174.1-52.7-177.9000110.7I71 M72 I80 Y142 I143 K146 I148 F172I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.35Å; I71-L75 WeakPolarHBondContact O-CG 3.29Å; M72-L75 PolarHBondContact O-N 3.18Å; L75-I80 HydrophobicContact CB-CG2 4.35Å; L75-I80 HydrophobicContact CD1-CD1 4.4Å; L75-I80 HydrophobicContact CD1-CG2 4.07Å; L75-Y142 HydrophobicContact CB-CE1 4.41Å; L75-Y142 HydrophobicContact CD2-CD1 4.46Å; L75-Y142 HydrophobicContact CD2-CE1 3.86Å; L75-I143 HydrophobicContact CD2-CG2 4.06Å; L75-K146 HydrophobicContact CD2-CD 4.17Å; L75-I148 HydrophobicContact CD2-CD1 3.88Å; L75-F172 HydrophobicContact CD1-CD1 3.85Å; L75-F172 HydrophobicContact CD1-CD2 4.24Å; L75-F172 HydrophobicContact CD1-CE1 3.4Å; L75-F172 VanDerWaalsContact CD1-CE1 3.4Å; L75-F172 HydrophobicContact CD1-CE2 3.85Å; L75-F172 HydrophobicContact CD1-CG 4.25Å; L75-F172 HydrophobicContact CD1-CZ 3.41Å; L75-F172 VanDerWaalsContact CD1-CZ 3.41Å
76D96.2Very high96.6Very high94 Ų9437.3 Ų37.350%0.50317%0.174SC..  trans-144.996.7171-174.821.8000108.2Y142D76-Y142 PolarHBondContact N-OH 2.99Å; D76-Y142 PolarHBondContact O-OH 3.47Å; D76-Y142 VanDerWaalsContact O-OH 3.07Å
77H97.4Very high96.8Very high9 Ų936 Ų364%0.04217%0.167CC..  trans-152.4138.9-175-174.4-94.9000110.7N79 I80 Y142 E337H77-N79 PolarHBondContact CE1-OD1 3.44Å; H77-N79 PolarHBondContact ND1-N 3.06Å; H77-N79 PolarHBondContact O-N 3.38Å; H77-N79 VanDerWaalsContact O-N 3.14Å; H77-I80 HydrophobicContact CB-CB 4.25Å; H77-I80 HydrophobicContact CB-CD1 3.89Å; H77-I80 HydrophobicContact CB-CG1 4.02Å; H77-I80 PolarHBondContact O-N 3.31Å; H77-Y142 HydrophobicContact CB-CD1 3.94Å; H77-Y142 HydrophobicContact CB-CD2 4.01Å; H77-Y142 HydrophobicContact CB-CE1 4.02Å; H77-Y142 HydrophobicContact CB-CE2 4.06Å; H77-Y142 HydrophobicContact CB-CG 3.94Å; H77-Y142 AromaticContact CD2-CD2 3.5Å; H77-Y142 VanDerWaalsContact CD2-CD2 3.5Å; H77-Y142 WeakPolarHBondContact CD2-CD2 3.47Å; H77-Y142 AromaticContact CD2-CG 3.74Å; H77-Y142 AromaticContact CG-CD2 3.96Å; H77-Y142 AromaticContact CG-CG 3.87Å; H77-E337 IonicContact CD2-OE2 3.37Å; H77-E337 IonicContact NE2-OE1 3.84Å; H77-E337 PolarHBondContact NE2-OE1 2.85Å; H77-E337 IonicContact NE2-OE2 2.69Å
78P97.3Very high96.7Very high38 Ų3836.6 Ų36.625%0.24717%0.173CC..THydrogen-bonded Turntrans-58.2-31.2-17720.9-34.6000114.2K168P78-K168 WeakPolarHBondContact O-CE 3.47Å; P78-K168 PolarHBondContact O-NZ 3.05Å
79N98.6Very high96.4Very high3 Ų340.5 Ų40.52%0.01619%0.191CC..THydrogen-bonded Turntrans-97.720.2179.1-55.3114.8000114.3H77 Q135 S139 L167 K168 L169H77-N79 PolarHBondContact CE1-OD1 3.44Å; H77-N79 PolarHBondContact ND1-N 3.06Å; H77-N79 PolarHBondContact O-N 3.38Å; H77-N79 VanDerWaalsContact O-N 3.14Å; N79-Q135 HydrophobicContact CB-CB 4.44Å; N79-Q135 WeakPolarHBondContact CB-O 3.01Å; N79-Q135 WeakPolarHBondContact ND2-CB 3.14Å; N79-Q135 WeakPolarHBondContact ND2-CG 3.34Å; N79-Q135 PolarHBondContact ND2-OE1 3.09Å; N79-S139 WeakPolarHBondContact O-CB 3.24Å; N79-L167 WeakPolarHBondContact CA-O 3.18Å; N79-L167 WeakPolarHBondContact CB-O 3.29Å; N79-L167 PolarHBondContact ND2-O 3.03Å; N79-K168 WeakPolarHBondContact O-CA 3.37Å; N79-L169 PolarHBondContact O-N 3.2Å
80I98.7Very high95.8Very high5 Ų543.9 Ų43.93%0.02621%0.212CC..BIsolated β-bridgetrans-122.6143.6170.5-61.8178000108L75 H77 Q82 Y142 I143 K168 L169 F172L75-I80 HydrophobicContact CB-CG2 4.35Å; L75-I80 HydrophobicContact CD1-CD1 4.4Å; L75-I80 HydrophobicContact CD1-CG2 4.07Å; H77-I80 HydrophobicContact CB-CB 4.25Å; H77-I80 HydrophobicContact CB-CD1 3.89Å; H77-I80 HydrophobicContact CB-CG1 4.02Å; H77-I80 PolarHBondContact O-N 3.31Å; I80-Q82 PolarHBondContact O-N 3.02Å; I80-Y142 HydrophobicContact CD1-CD1 3.58Å; I80-Y142 HydrophobicContact CD1-CE1 4.06Å; I80-Y142 HydrophobicContact CD1-CG 4.46Å; I80-I143 HydrophobicContact CD1-CG2 3.52Å; I80-K168 PolarHBondContact O-NZ 3.03Å; I80-L169 HydrophobicContact CG1-CB 4.5Å; I80-F172 HydrophobicContact CD1-CZ 4.42Å; I80-F172 HydrophobicContact CG2-CE2 3.69Å; I80-F172 HydrophobicContact CG2-CZ 3.76Å
81V98.2Very high95.2Very high6 Ų640.6 Ų40.64%0.03620%0.2CC..PPolyproline II helixtrans-65.4126.9175.573.90000110.3M72 L103 E104 L159 L169 C170M72-V81 HydrophobicContact CE-CG1 3.92Å; V81-L103 HydrophobicContact CG1-CD2 4.45Å; V81-L103 HydrophobicContact CG2-CB 4.22Å; V81-E104 WeakPolarHBondContact CA-OE1 3.45Å; V81-E104 HydrophobicContact CG2-CG 3.51Å; V81-L159 HydrophobicContact CB-CD1 4.41Å; V81-L159 HydrophobicContact CG2-CD1 4.13Å; V81-L169 PolarHBondContact N-O 3.07Å; V81-C170 HydrophobicContact CB-CB 4.13Å; V81-C170 HydrophobicContact CG1-CB 3.66Å
82Q97.5Very high94.4Very high91 Ų9148.7 Ų48.743%0.42524%0.244SC..PPolyproline II helixtrans-76.7126.2-177.9-171.1178.345.800111.1I80 K84 L103 E104I80-Q82 PolarHBondContact O-N 3.02Å; Q82-K84 PolarHBondContact O-N 3.32Å; Q82-L103 VanDerWaalsContact O-CA 3.31Å; Q82-L103 WeakPolarHBondContact O-CA 3.5Å; Q82-E104 HydrophobicContact CB-CG 4.23Å; Q82-E104 WeakPolarHBondContact CB-OE1 3.24Å; Q82-E104 PolarHBondContact N-OE1 3.5Å; Q82-E104 PolarHBondContact O-N 2.81Å
83L97.7Very high93.6Very high7 Ų757.4 Ų57.44%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-74.4117.1160.3-178.465000108.7C17 L69 M72 R73 Y85 L101 L103C17-L83 HydrophobicContact CB-CB 4.27Å; C17-L83 HydrophobicContact CB-CD2 4.3Å; C17-L83 HydrophobicContact CB-CG 4.08Å; C17-L83 WeakPolarHBondContact CB-O 3.43Å; C17-L83 PolarHBondContact SG-O 2.86Å; L69-L83 HydrophobicContact CD1-CD2 3.78Å; M72-L83 HydrophobicContact CB-CB 4.27Å; M72-L83 HydrophobicContact CB-CD2 3.96Å; M72-L83 HydrophobicContact CE-CB 4.06Å; R73-L83 HydrophobicContact CG-CD2 4.13Å; L83-Y85 VanDerWaalsContact CD1-O 3.24Å; L83-Y85 WeakPolarHBondContact CD1-O 3.31Å; L83-L101 HydrophobicContact CD1-CB 3.92Å; L83-L101 HydrophobicContact CD1-CD2 4.13Å; L83-L103 HydrophobicContact CB-CD2 4.29Å; L83-L103 HydrophobicContact CD1-CD2 3.93Å
84K95.9Very high92.6Very high38 Ų3862.4 Ų62.417%0.16530%0.3CS..EExtended strand (participates in β ladder)trans-89.6-52.4176.8-67174.1172.6-89.40110.6C17 E51 V53 Q82 V102C17-K84 PolarHBondContact N-O 2.8Å; E51-K84 WeakPolarHBondContact OE1-CE 3.38Å; E51-K84 IonicContact OE1-NZ 2.66Å; E51-K84 PolarHBondContact OE1-NZ 2.75Å; E51-K84 WeakPolarHBondContact OE2-CE 3.43Å; E51-K84 IonicContact OE2-NZ 2.72Å; E51-K84 PolarHBondContact OE2-NZ 2.66Å; V53-K84 HydrophobicContact CG1-CD 4.08Å; Q82-K84 PolarHBondContact O-N 3.32Å; K84-V102 WeakPolarHBondContact CB-O 3.35Å; K84-V102 PolarHBondContact N-O 3.15Å
85Y96.5Very high91.9Very high31 Ų3162.6 Ų62.612%0.12230%0.304CS..EExtended strand (participates in β ladder)trans-142162.6-177.5-45.3-82.1000111.5Y15 L16 I25 L46 L83 V102Y15-Y85 CarbonylContact O-C 3.59Å; Y15-Y85 WeakPolarHBondContact O-CA 3.5Å; Y15-Y85 WeakPolarHBondContact O-CB 3.45Å; L16-Y85 HydrophobicContact CD2-CD1 3.94Å; L16-Y85 HydrophobicContact CD2-CE1 3.58Å; I25-Y85 HydrophobicContact CD1-CD2 4.1Å; I25-Y85 HydrophobicContact CD1-CG 4.21Å; I25-Y85 HydrophobicContact CG2-CD1 4.43Å; I25-Y85 HydrophobicContact CG2-CE1 4.23Å; I25-Y85 HydrophobicContact CG2-CE2 4.43Å; L46-Y85 HydrophobicContact CD1-CE2 4.16Å; L83-Y85 VanDerWaalsContact CD1-O 3.24Å; L83-Y85 WeakPolarHBondContact CD1-O 3.31Å; Y85-V102 HydrophobicContact CD2-CB 4.1Å; Y85-V102 HydrophobicContact CD2-CG1 3.98Å; Y85-V102 PolarHBondContact N-O 2.91Å; Y85-V102 PolarHBondContact O-N 2.69Å
86F96.6Very high91.5Very high17 Ų1763.6 Ų63.68%0.07531%0.31CS..EExtended strand (participates in β ladder)trans-141.3149.6164.667.6-82.5000111.2Y15 L16 L69 L99 N100 L101Y15-F86 VanDerWaalsContact CB-CE1 3.48Å; Y15-F86 VanDerWaalsContact CB-CZ 3.41Å; Y15-F86 HydrophobicContact CD2-CD2 4.47Å; Y15-F86 HydrophobicContact CD2-CE2 4.01Å; Y15-F86 HydrophobicContact CD2-CZ 4.33Å; Y15-F86 HydrophobicContact CG-CE1 4.49Å; Y15-F86 HydrophobicContact CG-CE2 4.12Å; Y15-F86 AromaticContact CG-CZ 3.96Å; Y15-F86 HydrophobicContact CG-CZ 3.96Å; Y15-F86 PolarHBondContact N-O 3.38Å; Y15-F86 PolarHBondContact O-N 3.44Å; L16-F86 WeakPolarHBondContact O-CE1 3.29Å; L69-F86 HydrophobicContact CD1-CB 3.94Å; L69-F86 HydrophobicContact CD1-CD1 3.77Å; L69-F86 HydrophobicContact CD1-CD2 4.04Å; L69-F86 HydrophobicContact CD1-CE1 4.27Å; L69-F86 HydrophobicContact CD1-CG 3.63Å; L69-F86 HydrophobicContact CD2-CD2 3.78Å; L69-F86 HydrophobicContact CD2-CE2 3.93Å; L69-F86 HydrophobicContact CD2-CG 4.26Å; F86-L99 HydrophobicContact CB-CD1 4.29Å; F86-L99 HydrophobicContact CD2-CD1 4.23Å; F86-N100 CarbonylContact C-O 3.53Å; F86-N100 WeakPolarHBondContact CA-O 3.4Å; F86-L101 HydrophobicContact CB-CD2 4Å
87F95.2Very high91.2Very high3 Ų359.9 Ų59.91%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-151.5155.9176.862-87.9000111.6V12 A14 Y27 V55 N100 V102V12-F87 HydrophobicContact CB-CD2 4.2Å; V12-F87 HydrophobicContact CB-CE2 4.38Å; V12-F87 HydrophobicContact CB-CG 4.41Å; V12-F87 HydrophobicContact CG1-CD2 4.17Å; V12-F87 HydrophobicContact CG1-CE2 3.97Å; V12-F87 HydrophobicContact CG1-CZ 4.45Å; V12-F87 HydrophobicContact CG2-CD1 3.9Å; V12-F87 HydrophobicContact CG2-CD2 4.14Å; V12-F87 HydrophobicContact CG2-CE1 3.93Å; V12-F87 HydrophobicContact CG2-CE2 4.17Å; V12-F87 HydrophobicContact CG2-CG 4.01Å; V12-F87 HydrophobicContact CG2-CZ 4.07Å; A14-F87 HydrophobicContact CB-CB 3.98Å; A14-F87 HydrophobicContact CB-CD1 4.01Å; A14-F87 HydrophobicContact CB-CG 4.39Å; Y27-F87 HydrophobicContact CE1-CZ 4.18Å; V55-F87 HydrophobicContact CG1-CZ 4.5Å; F87-N100 HydrophobicContact CD1-CB 3.99Å; F87-N100 HydrophobicContact CD2-CB 3.92Å; F87-N100 HydrophobicContact CE1-CB 3.61Å; F87-N100 HydrophobicContact CE2-CB 3.53Å; F87-N100 VanDerWaalsContact CE2-CG 3.44Å; F87-N100 WeakPolarHBondContact CE2-ND2 3.46Å; F87-N100 HydrophobicContact CG-CB 4.12Å; F87-N100 HydrophobicContact CZ-CB 3.36Å; F87-N100 PolarHBondContact N-O 3.43Å; F87-N100 PolarHBondContact O-N 2.8Å; F87-N100 PolarHBondContact O-ND2 3.04Å; F87-V102 HydrophobicContact CD1-CG2 4.04Å; F87-V102 HydrophobicContact CE1-CG2 3.62Å
88H93.3Very high91.1Very high99 Ų9962.2 Ų62.246%0.45830%0.299SS..EExtended strand (participates in β ladder)trans-98.1143.6174.5-64.691.1000110.1V97 Y98H88-V97 HydrophobicContact CB-CG1 4.06Å; H88-Y98 CarbonylContact C-O 3.51Å; H88-Y98 VanDerWaalsContact CA-O 3.25Å; H88-Y98 WeakPolarHBondContact CA-O 3.43Å
89F88.9Confident90.9Very high93 Ų9360.4 Ų60.441%0.40829%0.288SS..EExtended strand (participates in β ladder)trans-131129.5176.3-173-92.4000109.3Y98F89-Y98 PolarHBondContact N-O 2.8Å; F89-Y98 PolarHBondContact O-N 2.72Å
90V84.3Confident90.8Very high92 Ų9260.6 Ų60.656%0.55829%0.289SS*.EExtended strand (participates in β ladder)trans-79.8125.8175.5-176.30000108.6D96V90-D96 CarbonylContact C-O 3.6Å; V90-D96 WeakPolarHBondContact CA-O 3.45Å
91G82Confident90.7Very high14 Ų1460.3 Ų60.314%0.14429%0.288CS..  trans-70.9176.8179.800000113.9R93 D96G91-R93 VanDerWaalsContact C-N 3.28Å; G91-R93 PolarHBondContact O-N 2.95Å; G91-D96 PolarHBondContact N-O 2.81Å
92D81.5Confident90.7Very high176 Ų17660.1 Ų60.194%0.94129%0.286SS*.SBendtrans-70.2-27.6176.5-57.4-44.7000112.1
93R81.2Confident90.7Very high188 Ų18856.6 Ų56.671%0.70927%0.27SS*.SBendtrans-84.5142.1175.5-60.2179179.6173.2-0.4109.7G91 D95 D96G91-R93 VanDerWaalsContact C-N 3.28Å; G91-R93 PolarHBondContact O-N 2.95Å; R93-D95 PolarHBondContact O-N 2.77Å; R93-D96 HydrophobicContact CB-CB 4.36Å; R93-D96 WeakPolarHBondContact CB-OD2 3.23Å; R93-D96 PolarHBondContact O-N 3.43Å
94K74.8Confident90.7Very high187 Ų18757.7 Ų57.781%0.81328%0.275SS*.THydrogen-bonded Turntrans-54.6130.7173.3-161.6176.8179.2-176.20108.7D96K94-D96 VanDerWaalsContact C-N 3.32Å; K94-D96 PolarHBondContact O-N 3.03Å
95D82Confident90.8Very high108 Ų10858.5 Ų58.558%0.57828%0.279SS*.THydrogen-bonded Turntrans78.4-14.6179.4-50.5-46000117.8R62 R93 V97R62-D95 PolarHBondContact NE-O 3.2Å; R62-D95 VanDerWaalsContact NE-O 3.11Å; R62-D95 PolarHBondContact NH2-O 3.34Å; R93-D95 PolarHBondContact O-N 2.77Å; D95-V97 PolarHBondContact O-N 3.19Å
96D87Confident90.8Very high37 Ų3758.1 Ų58.120%0.19828%0.279CS..  trans-63121.5175.8-81.9-4.2000110.7L59 V90 G91 R93 K94 Y98L59-D96 HydrophobicContact CD1-CB 4.41Å; V90-D96 CarbonylContact C-O 3.6Å; V90-D96 WeakPolarHBondContact CA-O 3.45Å; G91-D96 PolarHBondContact N-O 2.81Å; R93-D96 HydrophobicContact CB-CB 4.36Å; R93-D96 WeakPolarHBondContact CB-OD2 3.23Å; R93-D96 PolarHBondContact O-N 3.43Å; K94-D96 VanDerWaalsContact C-N 3.32Å; K94-D96 PolarHBondContact O-N 3.03Å; D96-Y98 HydrophobicContact CB-CE2 4.06Å
97V91.6Very high90.8Very high16 Ų1659.8 Ų59.810%0.09729%0.291CS..EExtended strand (participates in β ladder)trans-119.4133.2169.3177.60000107.5Q60 R62 H88 D95Q60-V97 WeakPolarHBondContact CA-O 3.4Å; Q60-V97 HydrophobicContact CB-CB 4.48Å; Q60-V97 HydrophobicContact CB-CG1 4.26Å; Q60-V97 WeakPolarHBondContact CB-O 3.33Å; Q60-V97 PolarHBondContact N-O 2.87Å; R62-V97 HydrophobicContact CG-CB 4.42Å; R62-V97 HydrophobicContact CG-CG2 4.09Å; H88-V97 HydrophobicContact CB-CG1 4.06Å; D95-V97 PolarHBondContact O-N 3.19Å
98Y93.5Very high90.9Very high57 Ų5761.7 Ų61.722%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-109.8133.1173.7-65.6-87.3000109.5K57 V58 L59 H88 F89 D96 N100K57-Y98 HydrophobicContact CD-CD1 4.27Å; K57-Y98 HydrophobicContact CD-CG 4.33Å; K57-Y98 VanDerWaalsContact CE-CD1 3.43Å; K57-Y98 HydrophobicContact CG-CD1 3.9Å; K57-Y98 HydrophobicContact CG-CG 4.14Å; V58-Y98 CarbonylContact O-C 3.45Å; V58-Y98 VanDerWaalsContact O-CA 3.24Å; V58-Y98 WeakPolarHBondContact O-CA 3.08Å; L59-Y98 HydrophobicContact CB-CD1 4.35Å; L59-Y98 HydrophobicContact CB-CE1 4.15Å; L59-Y98 HydrophobicContact CD1-CD1 4.19Å; L59-Y98 HydrophobicContact CD1-CE1 3.75Å; L59-Y98 HydrophobicContact CD1-CE2 4.45Å; H88-Y98 CarbonylContact C-O 3.51Å; H88-Y98 VanDerWaalsContact CA-O 3.25Å; H88-Y98 WeakPolarHBondContact CA-O 3.43Å; F89-Y98 PolarHBondContact N-O 2.8Å; F89-Y98 PolarHBondContact O-N 2.72Å; D96-Y98 HydrophobicContact CB-CE2 4.06Å; Y98-N100 PolarHBondContact O-ND2 2.76Å
99L95Very high91.1Very high0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-87.4131.4164.1172.765.1000108.4K57 V58 Q60 N66 L69 F86 L101K57-L99 WeakPolarHBondContact CA-O 3.46Å; V58-L99 HydrophobicContact CG2-CB 3.86Å; V58-L99 HydrophobicContact CG2-CD2 4.27Å; V58-L99 HydrophobicContact CG2-CG 4.31Å; V58-L99 PolarHBondContact N-O 3.01Å; V58-L99 PolarHBondContact O-N 2.93Å; Q60-L99 HydrophobicContact CB-CB 4.13Å; N66-L99 HydrophobicContact CB-CD2 3.58Å; N66-L99 VanDerWaalsContact CG-CD2 3.47Å; L69-L99 HydrophobicContact CB-CD2 4.02Å; L69-L99 HydrophobicContact CD2-CD1 4.09Å; L69-L99 HydrophobicContact CD2-CD2 4.17Å; F86-L99 HydrophobicContact CB-CD1 4.29Å; F86-L99 HydrophobicContact CD2-CD1 4.23Å; L99-L101 HydrophobicContact CD1-CD2 4.13Å; L99-L101 HydrophobicContact CD2-CD2 3.98Å; L99-L101 HydrophobicContact CG-CD2 3.96Å; L99-L101 HydrophobicContact CG-CG 4.43Å
100N96.2Very high91.6Very high7 Ų753.6 Ų53.64%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-116.3118.8176.7-58.6-95.7000108.1V55 K56 K57 F86 F87 Y98V55-N100 HydrophobicContact CG1-CB 4.06Å; K56-N100 CarbonylContact O-C 3.55Å; K56-N100 WeakPolarHBondContact O-CA 3.21Å; K57-N100 WeakPolarHBondContact CB-OD1 3.5Å; K57-N100 WeakPolarHBondContact CG-OD1 3.29Å; F86-N100 CarbonylContact C-O 3.53Å; F86-N100 WeakPolarHBondContact CA-O 3.4Å; F87-N100 HydrophobicContact CD1-CB 3.99Å; F87-N100 HydrophobicContact CD2-CB 3.92Å; F87-N100 HydrophobicContact CE1-CB 3.61Å; F87-N100 HydrophobicContact CE2-CB 3.53Å; F87-N100 VanDerWaalsContact CE2-CG 3.44Å; F87-N100 WeakPolarHBondContact CE2-ND2 3.46Å; F87-N100 HydrophobicContact CG-CB 4.12Å; F87-N100 HydrophobicContact CZ-CB 3.36Å; F87-N100 PolarHBondContact N-O 3.43Å; F87-N100 PolarHBondContact O-N 2.8Å; F87-N100 PolarHBondContact O-ND2 3.04Å; Y98-N100 PolarHBondContact O-ND2 2.76Å
101L96.8Very high92.2Very high0 Ų052.8 Ų52.80%025%0.253CS..EExtended strand (participates in β ladder)trans-98.5115.9174.7-54.3178.9000108.3V55 K56 E68 L69 M72 L83 F86 L99 L103V55-L101 CarbonylContact C-O 3.48Å; V55-L101 WeakPolarHBondContact CA-O 3.43Å; K56-L101 HydrophobicContact CB-CB 4.3Å; K56-L101 HydrophobicContact CD-CD1 4.45Å; K56-L101 PolarHBondContact N-O 3.05Å; K56-L101 PolarHBondContact O-N 3.37Å; E68-L101 HydrophobicContact CG-CD1 4.02Å; L69-L101 HydrophobicContact CB-CD2 4.35Å; L69-L101 HydrophobicContact CD1-CD2 3.8Å; M72-L101 HydrophobicContact SD-CD1 4.2Å; L83-L101 HydrophobicContact CD1-CB 3.92Å; L83-L101 HydrophobicContact CD1-CD2 4.13Å; F86-L101 HydrophobicContact CB-CD2 4Å; L99-L101 HydrophobicContact CD1-CD2 4.13Å; L99-L101 HydrophobicContact CD2-CD2 3.98Å; L99-L101 HydrophobicContact CG-CD2 3.96Å; L99-L101 HydrophobicContact CG-CG 4.43Å; L101-L103 HydrophobicContact CB-CD2 4.46Å; L101-L103 HydrophobicContact CB-CG 4.38Å
102V97.3Very high93Very high2 Ų258.4 Ų58.41%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-92.3109.1175.3-171.50000108.3I25 V53 V55 K84 Y85 F87I25-V102 HydrophobicContact CD1-CG2 4.26Å; V53-V102 HydrophobicContact CB-CG1 3.88Å; V53-V102 HydrophobicContact CG1-CG1 4.1Å; V53-V102 HydrophobicContact CG2-CG1 3.93Å; V55-V102 HydrophobicContact CG2-CG2 4.44Å; K84-V102 WeakPolarHBondContact CB-O 3.35Å; K84-V102 PolarHBondContact N-O 3.15Å; Y85-V102 HydrophobicContact CD2-CB 4.1Å; Y85-V102 HydrophobicContact CD2-CG1 3.98Å; Y85-V102 PolarHBondContact N-O 2.91Å; Y85-V102 PolarHBondContact O-N 2.69Å; F87-V102 HydrophobicContact CD1-CG2 4.04Å; F87-V102 HydrophobicContact CE1-CG2 3.62Å
103L98Very high93.7Very high17 Ų1750.5 Ų50.59%0.08923%0.228CC..EExtended strand (participates in β ladder)trans-109.8155.7-172.9-56.5165.4000109.9V53 A54 K56 M72 V81 Q82 L83 L101V53-L103 WeakPolarHBondContact CA-O 3.49Å; V53-L103 WeakPolarHBondContact CB-O 3.47Å; A54-L103 HydrophobicContact CB-CB 4.29Å; A54-L103 PolarHBondContact N-O 2.96Å; A54-L103 WeakPolarHBondContact O-CB 3.45Å; A54-L103 PolarHBondContact O-N 2.94Å; K56-L103 HydrophobicContact CB-CD1 4.26Å; M72-L103 HydrophobicContact CE-CD2 3.27Å; M72-L103 HydrophobicContact SD-CD2 3.93Å; V81-L103 HydrophobicContact CG1-CD2 4.45Å; V81-L103 HydrophobicContact CG2-CB 4.22Å; Q82-L103 VanDerWaalsContact O-CA 3.31Å; Q82-L103 WeakPolarHBondContact O-CA 3.5Å; L83-L103 HydrophobicContact CB-CD2 4.29Å; L83-L103 HydrophobicContact CD1-CD2 3.93Å; L101-L103 HydrophobicContact CB-CD2 4.46Å; L101-L103 HydrophobicContact CB-CG 4.38Å
104E97.1Very high94.4Very high29 Ų2942 Ų4214%0.13620%0.198CC..EExtended strand (participates in β ladder)trans-58.1142.5163.870.2179.5136.400110.7V81 Q82 I106 K168V81-E104 WeakPolarHBondContact CA-OE1 3.45Å; V81-E104 HydrophobicContact CG2-CG 3.51Å; Q82-E104 HydrophobicContact CB-CG 4.23Å; Q82-E104 WeakPolarHBondContact CB-OE1 3.24Å; Q82-E104 PolarHBondContact N-OE1 3.5Å; Q82-E104 PolarHBondContact O-N 2.81Å; E104-I106 HydrophobicContact CG-CD1 4.4Å; E104-I106 HydrophobicContact CG-CG1 4.41Å; E104-K168 VanDerWaalsContact CD-CE 3.47Å; E104-K168 VanDerWaalsContact OE1-CD 3.29Å; E104-K168 WeakPolarHBondContact OE1-CD 3.29Å; E104-K168 WeakPolarHBondContact OE1-CE 3.3Å; E104-K168 IonicContact OE1-NZ 3.15Å; E104-K168 PolarHBondContact OE1-NZ 3.15Å; E104-K168 WeakPolarHBondContact OE2-CE 3.43Å; E104-K168 IonicContact OE2-NZ 2.8Å; E104-K168 PolarHBondContact OE2-NZ 3.05Å
105F97.9Very high95.5Very high55 Ų5538.3 Ų38.324%0.24118%0.179CC..  trans-92.5129.4177.9177.7-100.9000111.4I33 Q43 I52 A54 P107I33-F105 HydrophobicContact CD1-CD2 4.25Å; I33-F105 HydrophobicContact CD1-CE2 3.84Å; Q43-F105 HydrophobicContact CB-CE2 4.32Å; Q43-F105 HydrophobicContact CG-CD2 4.22Å; Q43-F105 HydrophobicContact CG-CE2 4.07Å; Q43-F105 HydrophobicContact CG-CZ 4.42Å; I52-F105 HydrophobicContact CB-CB 4.28Å; I52-F105 HydrophobicContact CB-CD1 4.24Å; I52-F105 HydrophobicContact CB-CG 4.46Å; I52-F105 HydrophobicContact CG2-CB 3.77Å; I52-F105 HydrophobicContact CG2-CD1 3.55Å; I52-F105 HydrophobicContact CG2-CD2 4.27Å; I52-F105 HydrophobicContact CG2-CE1 4.18Å; I52-F105 HydrophobicContact CG2-CG 3.59Å; I52-F105 VanDerWaalsContact O-CB 3.31Å; I52-F105 WeakPolarHBondContact O-CB 3.5Å; A54-F105 HydrophobicContact CB-CD2 4.33Å; F105-P107 HydrophobicContact CE1-CB 3.97Å; F105-P107 HydrophobicContact CZ-CB 4.41Å
106I97.7Very high96.2Very high23 Ų2339.3 Ų39.312%0.11817%0.174CC..  trans-124.2127.3175.1-53.1-64000108.2E104 L159 L160 K168E104-I106 HydrophobicContact CG-CD1 4.4Å; E104-I106 HydrophobicContact CG-CG1 4.41Å; I106-L159 HydrophobicContact CB-CB 3.66Å; I106-L159 HydrophobicContact CB-CD1 3.92Å; I106-L159 HydrophobicContact CB-CG 4.38Å; I106-L159 HydrophobicContact CG1-CB 4.23Å; I106-L159 HydrophobicContact CG1-CD1 4.1Å; I106-L159 HydrophobicContact CG2-CB 3.53Å; I106-L160 WeakPolarHBondContact CG2-O 3.37Å; I106-K168 HydrophobicContact CD1-CD 3.62Å; I106-K168 HydrophobicContact CG1-CD 3.87Å
107P96.1Very high96.6Very high53 Ų5339.1 Ų39.134%0.34417%0.171SC..  trans-79.7-24.7-15828.8-36.9000116F105 R112F105-P107 HydrophobicContact CE1-CB 3.97Å; F105-P107 HydrophobicContact CZ-CB 4.41Å; P107-R112 PolarHBondContact O-NH1 3.38Å; P107-R112 VanDerWaalsContact O-NH1 3.15Å
108E97.4Very high96.7Very high42 Ų4240.4 Ų40.420%0.19618%0.184CC..EExtended strand (participates in β ladder)trans-123.6169.2-176.6-79.5-65.3168.500111.8R112 V113 L159 L160 P162E108-R112 VanDerWaalsContact CD-CZ 3.48Å; E108-R112 VanDerWaalsContact CD-NH2 3.27Å; E108-R112 IonicContact OE1-CZ 2.73Å; E108-R112 IonicContact OE1-NE 3.92Å; E108-R112 IonicContact OE1-NH2 2.99Å; E108-R112 PolarHBondContact OE1-NH2 2.99Å; E108-R112 WeakPolarHBondContact OE2-CB 2.96Å; E108-R112 WeakPolarHBondContact OE2-CD 3.21Å; E108-R112 IonicContact OE2-CZ 3.68Å; E108-R112 IonicContact OE2-NE 3.87Å; E108-R112 PolarHBondContact OE2-NE 3.29Å; E108-R112 IonicContact OE2-NH1 3.38Å; E108-R112 IonicContact OE2-NH2 3.54Å; E108-R112 PolarHBondContact OE2-NH2 3.01Å; E108-V113 HydrophobicContact CB-CG2 4.43Å; E108-L159 CarbonylContact O-C 3.59Å; E108-L159 WeakPolarHBondContact O-CA 3.44Å; E108-L160 HydrophobicContact CB-CB 4.17Å; E108-L160 WeakPolarHBondContact CB-O 3.12Å; E108-L160 PolarHBondContact N-O 3.46Å; E108-L160 VanDerWaalsContact N-O 3.13Å; E108-L160 PolarHBondContact O-N 2.89Å; E108-P162 HydrophobicContact CB-CG 3.88Å; E108-P162 HydrophobicContact CG-CG 3.56Å
109T97.9Very high96.8Very high22 Ų2245.9 Ų45.914%0.13520%0.204CC..EExtended strand (participates in β ladder)trans-128.1155.5169.967.80000110.2Y111 R112 V113 L158 L159T109-Y111 PolarHBondContact O-N 3.04Å; T109-R112 PolarHBondContact O-N 3.42Å; T109-R112 VanDerWaalsContact O-N 3.11Å; T109-R112 WeakPolarHBondContact OG1-CG 3.28Å; T109-R112 PolarHBondContact OG1-N 3.03Å; T109-V113 PolarHBondContact O-N 3.22Å; T109-L158 CarbonylContact C-O 3.44Å; T109-L158 VanDerWaalsContact CA-O 3.24Å; T109-L158 WeakPolarHBondContact CA-O 3.05Å; T109-L159 HydrophobicContact CG2-CD2 3.82Å
110V98.4Very high96.8Very high1 Ų151 Ų511%0.00623%0.228CC..Hα-helixtrans-53.8-40.1172.2175.40000110.1R112 V113 A114 P155 L158 L160 L167 L221V110-R112 PolarHBondContact O-N 3.5Å; V110-V113 PolarHBondContact O-N 2.91Å; V110-A114 VanDerWaalsContact O-CB 3.29Å; V110-A114 WeakPolarHBondContact O-CB 3.38Å; V110-A114 PolarHBondContact O-N 3.04Å; V110-P155 HydrophobicContact CB-CB 4.21Å; V110-P155 HydrophobicContact CG1-CB 4.05Å; V110-P155 PolarHBondContact N-O 3.25Å; V110-L158 HydrophobicContact CB-CB 3.9Å; V110-L158 HydrophobicContact CB-CD1 4.33Å; V110-L158 HydrophobicContact CG2-CB 3.4Å; V110-L158 HydrophobicContact CG2-CD1 4.01Å; V110-L158 HydrophobicContact CG2-CG 4.35Å; V110-L158 PolarHBondContact N-O 2.97Å; V110-L160 HydrophobicContact CB-CD1 4.29Å; V110-L160 HydrophobicContact CG2-CD1 3.72Å; V110-L160 HydrophobicContact CG2-CD2 3.95Å; V110-L160 HydrophobicContact CG2-CG 3.77Å; V110-L167 HydrophobicContact CG2-CD1 3.87Å; V110-L221 HydrophobicContact CG1-CD1 4.35Å; V110-L221 HydrophobicContact CG1-CD2 3.57Å; V110-L221 HydrophobicContact CG1-CG 4.42Å
111Y97.8Very high96.7Very high75 Ų7559.7 Ų59.729%0.29427%0.265SS..Hα-helixtrans-55.8-50.3175.4177.3-103.5000113T109 V113 A114 R115 P155 Q156T109-Y111 PolarHBondContact O-N 3.04Å; Y111-V113 PolarHBondContact O-N 2.84Å; Y111-A114 PolarHBondContact O-N 3.26Å; Y111-R115 VanDerWaalsContact O-CB 3.25Å; Y111-R115 WeakPolarHBondContact O-CB 3.34Å; Y111-R115 PolarHBondContact O-N 2.76Å; Y111-P155 PolarHBondContact N-O 3.46Å; Y111-Q156 HydrophobicContact CD1-CG 4.24Å; Y111-Q156 HydrophobicContact CD2-CG 4.18Å; Y111-Q156 VanDerWaalsContact CD2-NE2 3.26Å; Y111-Q156 HydrophobicContact CG-CG 3.84Å
112R97Very high96.5Very high131 Ų13165 Ų6549%0.49429%0.29SS..Hα-helixtrans-65.9-40.2-178.3-75.4173.460.4-174-6.8111.5P107 E108 T109 V110 R116P107-R112 PolarHBondContact O-NH1 3.38Å; P107-R112 VanDerWaalsContact O-NH1 3.15Å; E108-R112 VanDerWaalsContact CD-CZ 3.48Å; E108-R112 VanDerWaalsContact CD-NH2 3.27Å; E108-R112 IonicContact OE1-CZ 2.73Å; E108-R112 IonicContact OE1-NE 3.92Å; E108-R112 IonicContact OE1-NH2 2.99Å; E108-R112 PolarHBondContact OE1-NH2 2.99Å; E108-R112 WeakPolarHBondContact OE2-CB 2.96Å; E108-R112 WeakPolarHBondContact OE2-CD 3.21Å; E108-R112 IonicContact OE2-CZ 3.68Å; E108-R112 IonicContact OE2-NE 3.87Å; E108-R112 PolarHBondContact OE2-NE 3.29Å; E108-R112 IonicContact OE2-NH1 3.38Å; E108-R112 IonicContact OE2-NH2 3.54Å; E108-R112 PolarHBondContact OE2-NH2 3.01Å; T109-R112 PolarHBondContact O-N 3.42Å; T109-R112 VanDerWaalsContact O-N 3.11Å; T109-R112 WeakPolarHBondContact OG1-CG 3.28Å; T109-R112 PolarHBondContact OG1-N 3.03Å; V110-R112 PolarHBondContact O-N 3.5Å; R112-R116 PolarHBondContact O-N 2.75Å; R112-R116 VanDerWaalsContact O-N 3.07Å
113V96.8Very high96.3Very high10 Ų1068.5 Ų68.56%0.06131%0.311CS..Hα-helixtrans-64.1-50.9176173.30000110.7E108 T109 V110 Y111 R115 R116 Y117 L160E108-V113 HydrophobicContact CB-CG2 4.43Å; T109-V113 PolarHBondContact O-N 3.22Å; V110-V113 PolarHBondContact O-N 2.91Å; Y111-V113 PolarHBondContact O-N 2.84Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 3.37Å; V113-R116 WeakPolarHBondContact O-CB 3.29Å; V113-R116 PolarHBondContact O-N 2.75Å; V113-R116 VanDerWaalsContact O-N 3.12Å; V113-Y117 HydrophobicContact CG1-CD2 4.01Å; V113-Y117 HydrophobicContact CG1-CE2 3.94Å; V113-Y117 WeakPolarHBondContact O-CD2 3.45Å; V113-Y117 PolarHBondContact O-N 3.35Å; V113-L160 HydrophobicContact CB-CD1 4.2Å; V113-L160 HydrophobicContact CG2-CD1 3.78Å
114A96.8Very high96.1Very high10 Ų1068.3 Ų68.38%0.08331%0.31CS..Hα-helixtrans-59-44.6178.800000111.9V110 Y111 R116 Y117 A118 I124 L221V110-A114 VanDerWaalsContact O-CB 3.29Å; V110-A114 WeakPolarHBondContact O-CB 3.38Å; V110-A114 PolarHBondContact O-N 3.04Å; Y111-A114 PolarHBondContact O-N 3.26Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.3Å; A114-Y117 PolarHBondContact O-N 2.83Å; A114-A118 WeakPolarHBondContact O-CB 3.45Å; A114-A118 PolarHBondContact O-N 2.8Å; A114-I124 HydrophobicContact CB-CD1 3.97Å; A114-L221 HydrophobicContact CB-CD2 4.22Å
115R96.6Very high96.1Very high109 Ų10969.2 Ų69.241%0.41132%0.319SS..Hα-helixtrans-61.6-34.8176.7-170.3180-176.5-154.78.1112.9Y111 V113 R119Y111-R115 VanDerWaalsContact O-CB 3.25Å; Y111-R115 WeakPolarHBondContact O-CB 3.34Å; Y111-R115 PolarHBondContact O-N 2.76Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 3.37Å; R115-R119 WeakPolarHBondContact O-CB 3.31Å; R115-R119 VanDerWaalsContact O-CG 3.28Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.04Å
116R96.7Very high96Very high129 Ų12969.1 Ų69.149%0.48732%0.321SS..Hα-helixtrans-64.1-50.2175.8-176.7-179.167.71801.3111.1R112 V113 A114 R119 Q120R112-R116 PolarHBondContact O-N 2.75Å; R112-R116 VanDerWaalsContact O-N 3.07Å; V113-R116 WeakPolarHBondContact O-CB 3.29Å; V113-R116 PolarHBondContact O-N 2.75Å; V113-R116 VanDerWaalsContact O-N 3.12Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.3Å; R116-R119 PolarHBondContact O-N 3.42Å; R116-Q120 WeakPolarHBondContact O-CG 3.4Å; R116-Q120 PolarHBondContact O-N 2.85Å; R116-Q120 VanDerWaalsContact O-N 3.15Å
117Y96.1Very high96Very high34 Ų3469 Ų6913%0.13332%0.32CS..Hα-helixtrans-60.9-45.8177.1-82.5-79.5000111.7V113 A114 R119 Q120 K121 E122 I124 P125V113-Y117 HydrophobicContact CG1-CD2 4.01Å; V113-Y117 HydrophobicContact CG1-CE2 3.94Å; V113-Y117 WeakPolarHBondContact O-CD2 3.45Å; V113-Y117 PolarHBondContact O-N 3.35Å; A114-Y117 PolarHBondContact O-N 2.83Å; Y117-R119 VanDerWaalsContact C-N 3.35Å; Y117-R119 PolarHBondContact O-N 3.44Å; Y117-Q120 CarbonylContact O-C 3.59Å; Y117-Q120 WeakPolarHBondContact O-CA 3.03Å; Y117-Q120 PolarHBondContact O-N 2.87Å; Y117-K121 PolarHBondContact O-N 3.4Å; Y117-K121 VanDerWaalsContact O-N 3.1Å; Y117-E122 CarbonylContact C-O 3.35Å; Y117-E122 HydrophobicContact CD1-CB 3.81Å; Y117-E122 PolarHBondContact O-N 2.92Å; Y117-E122 VanDerWaalsContact O-O 3.13Å; Y117-I124 HydrophobicContact CD2-CB 4.37Å; Y117-I124 HydrophobicContact CD2-CG1 3.61Å; Y117-I124 HydrophobicContact CE2-CG1 4.23Å; Y117-I124 HydrophobicContact CG-CG1 3.86Å; Y117-P125 WeakPolarHBondContact OH-CD 3.25Å
118A94.1Very high96.1Very high43 Ų4368.1 Ų68.136%0.35531%0.311SS..Hα-helixtrans-58.4-43.4177.400000112.6A114 Q120 K121A114-A118 WeakPolarHBondContact O-CB 3.45Å; A114-A118 PolarHBondContact O-N 2.8Å; A118-Q120 VanDerWaalsContact C-N 3.27Å; A118-Q120 PolarHBondContact O-N 3.05Å; A118-K121 PolarHBondContact O-N 2.88Å
119R94.8Very high96.1Very high172 Ų17266.1 Ų66.165%0.64930%0.302SS*.Hα-helixtrans-63.1-33.2175.6-78.4171168.5179.5-10.4113.2R115 R116 Y117 K121R115-R119 WeakPolarHBondContact O-CB 3.31Å; R115-R119 VanDerWaalsContact O-CG 3.28Å; R115-R119 WeakPolarHBondContact O-CG 3.49Å; R115-R119 PolarHBondContact O-N 3.04Å; R116-R119 PolarHBondContact O-N 3.42Å; Y117-R119 VanDerWaalsContact C-N 3.35Å; Y117-R119 PolarHBondContact O-N 3.44Å; R119-K121 PolarHBondContact O-N 3.26Å
120Q95.2Very high96.2Very high107 Ų10766.2 Ų66.250%0.530%0.3SS..THydrogen-bonded Turntrans-81.3-0.8176.1-69.3169.8-24.900112.4R116 Y117 A118 E122R116-Q120 WeakPolarHBondContact O-CG 3.4Å; R116-Q120 PolarHBondContact O-N 2.85Å; R116-Q120 VanDerWaalsContact O-N 3.15Å; Y117-Q120 CarbonylContact O-C 3.59Å; Y117-Q120 WeakPolarHBondContact O-CA 3.03Å; Y117-Q120 PolarHBondContact O-N 2.87Å; A118-Q120 VanDerWaalsContact C-N 3.27Å; A118-Q120 PolarHBondContact O-N 3.05Å; Q120-E122 HydrophobicContact CB-CB 4.38Å; Q120-E122 HydrophobicContact CB-CG 4.2Å; Q120-E122 PolarHBondContact O-N 2.86Å
121K93.3Very high96.2Very high190 Ų19066.1 Ų66.183%0.82630%0.3SS*.THydrogen-bonded Turntrans55.827.5-171.8-56.1-176.2178.1-174.60112.8Y117 A118 R119Y117-K121 PolarHBondContact O-N 3.4Å; Y117-K121 VanDerWaalsContact O-N 3.1Å; A118-K121 PolarHBondContact O-N 2.88Å; R119-K121 PolarHBondContact O-N 3.26Å
122E93.6Very high96.2Very high110 Ų11063.1 Ų63.151%0.51429%0.288SS..  trans-104.6159.9176.7-70.9-177.3-179.500110.3Y117 Q120Y117-E122 CarbonylContact C-O 3.35Å; Y117-E122 HydrophobicContact CD1-CB 3.81Å; Y117-E122 PolarHBondContact O-N 2.92Å; Y117-E122 VanDerWaalsContact O-O 3.13Å; Q120-E122 HydrophobicContact CB-CB 4.38Å; Q120-E122 HydrophobicContact CB-CG 4.2Å; Q120-E122 PolarHBondContact O-N 2.86Å
123T92.2Very high96.3Very high76 Ų7656.9 Ų56.947%0.46627%0.265SS..PPolyproline II helixtrans-99.6144.7171.453.20000109.8
124I95Very high96.4Very high13 Ų1356.5 Ų56.57%0.06726%0.262CS..PPolyproline II helixtrans-59.2131.5172.1-57.5171.5000108.4A114 Y117 L126 F128 V129 L221A114-I124 HydrophobicContact CB-CD1 3.97Å; Y117-I124 HydrophobicContact CD2-CB 4.37Å; Y117-I124 HydrophobicContact CD2-CG1 3.61Å; Y117-I124 HydrophobicContact CE2-CG1 4.23Å; Y117-I124 HydrophobicContact CG-CG1 3.86Å; I124-L126 PolarHBondContact O-N 2.68Å; I124-F128 HydrophobicContact CG2-CB 3.89Å; I124-V129 HydrophobicContact CB-CG2 4.14Å; I124-V129 HydrophobicContact CG2-CG2 3.99Å; I124-L221 HydrophobicContact CD1-CB 4.43Å; I124-L221 HydrophobicContact CD1-CD2 3.34Å; I124-L221 HydrophobicContact CD1-CG 4.46Å
125P95.8Very high96.5Very high49 Ų4956.1 Ų56.132%0.31826%0.258SS..PPolyproline II helixtrans-54.8135.1175.7-25.332000111.4Y117 L127 F128 V129Y117-P125 WeakPolarHBondContact OH-CD 3.25Å; P125-L127 VanDerWaalsContact C-N 3.25Å; P125-L127 PolarHBondContact O-N 3.32Å; P125-L127 VanDerWaalsContact O-N 3.17Å; P125-F128 HydrophobicContact CB-CD2 3.86Å; P125-F128 HydrophobicContact CB-CE2 4.42Å; P125-F128 HydrophobicContact CG-CD2 3.9Å; P125-F128 HydrophobicContact CG-CE2 4.24Å; P125-F128 WeakPolarHBondContact O-CB 3.24Å; P125-F128 PolarHBondContact O-N 3.36Å; P125-V129 PolarHBondContact O-N 2.99Å
126L97.1Very high96.6Very high53 Ų5350.9 Ų50.928%0.27724%0.239SC..Hα-helixtrans-59.2-35.2-170.2-169.473.1000113.3I124 F128 V129 K130 L222 P281 F310I124-L126 PolarHBondContact O-N 2.68Å; L126-F128 PolarHBondContact O-N 3.44Å; L126-V129 WeakPolarHBondContact O-CB 3.37Å; L126-V129 PolarHBondContact O-N 2.99Å; L126-K130 WeakPolarHBondContact O-CG 3.21Å; L126-K130 PolarHBondContact O-N 2.8Å; L126-L222 HydrophobicContact CD1-CD2 4.12Å; L126-P281 HydrophobicContact CD1-CG 4.43Å; L126-P281 HydrophobicContact CD2-CG 3.5Å; L126-F310 HydrophobicContact CD1-CE2 3.93Å; L126-F310 HydrophobicContact CD1-CZ 4.03Å; L126-F310 HydrophobicContact CD2-CE2 4.41Å; L126-F310 HydrophobicContact CG-CE2 4.26Å; L126-F310 HydrophobicContact CG-CZ 4.48Å
127L97.5Very high96.7Very high21 Ų2144.8 Ų44.811%0.1122%0.216CC..Hα-helixtrans-57-38.9175.5179.862.3000112P125 K130 L131 L314 T319 R320P125-L127 VanDerWaalsContact C-N 3.25Å; P125-L127 PolarHBondContact O-N 3.32Å; P125-L127 VanDerWaalsContact O-N 3.17Å; L127-K130 PolarHBondContact O-N 3.37Å; L127-L131 HydrophobicContact CG-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CB 3.28Å; L127-L131 WeakPolarHBondContact O-CG 3.5Å; L127-L131 PolarHBondContact O-N 3.12Å; L127-L314 HydrophobicContact CD1-CD2 3.8Å; L127-T319 HydrophobicContact CD1-CG2 4.11Å; L127-R320 VanDerWaalsContact CD2-O 3.25Å; L127-R320 WeakPolarHBondContact CD2-O 3.12Å
128F97.8Very high96.8Very high33 Ų3343.4 Ų43.415%0.14521%0.21CC..Hα-helixtrans-69.4-39175.3-71.1-59000111.9I124 P125 L126 K130 L131 Y132 A165 L321 P322I124-F128 HydrophobicContact CG2-CB 3.89Å; P125-F128 HydrophobicContact CB-CD2 3.86Å; P125-F128 HydrophobicContact CB-CE2 4.42Å; P125-F128 HydrophobicContact CG-CD2 3.9Å; P125-F128 HydrophobicContact CG-CE2 4.24Å; P125-F128 WeakPolarHBondContact O-CB 3.24Å; P125-F128 PolarHBondContact O-N 3.36Å; L126-F128 PolarHBondContact O-N 3.44Å; F128-K130 VanDerWaalsContact C-N 3.31Å; F128-K130 PolarHBondContact O-N 3.03Å; F128-L131 HydrophobicContact CD1-CD1 4.28Å; F128-L131 PolarHBondContact O-N 2.67Å; F128-Y132 HydrophobicContact CB-CD2 4.42Å; F128-Y132 HydrophobicContact CB-CE1 4.41Å; F128-Y132 HydrophobicContact CB-CE2 3.81Å; F128-Y132 HydrophobicContact CD1-CE1 4.16Å; F128-Y132 AromaticContact CD1-CZ 3.88Å; F128-Y132 WeakPolarHBondContact CD1-OH 3.38Å; F128-Y132 WeakPolarHBondContact O-CB 3.44Å; F128-Y132 WeakPolarHBondContact O-CD1 3.1Å; F128-Y132 VanDerWaalsContact O-CD2 3.27Å; F128-Y132 WeakPolarHBondContact O-CD2 3.48Å; F128-Y132 PolarHBondContact O-N 3.29Å; F128-A165 HydrophobicContact CD1-CB 4.26Å; F128-A165 HydrophobicContact CE1-CB 4.08Å; F128-L321 HydrophobicContact CE1-CD2 4.25Å; F128-P322 HydrophobicContact CE2-CG 3.93Å; F128-P322 HydrophobicContact CZ-CG 3.99Å
129V98.2Very high97Very high1 Ų141.4 Ų41.41%0.00619%0.193CC..Hα-helixtrans-58.6-46173.7-177.10000110.3I124 P125 L126 Y132 M133 L218 L221 L222 F310I124-V129 HydrophobicContact CB-CG2 4.14Å; I124-V129 HydrophobicContact CG2-CG2 3.99Å; P125-V129 PolarHBondContact O-N 2.99Å; L126-V129 WeakPolarHBondContact O-CB 3.37Å; L126-V129 PolarHBondContact O-N 2.99Å; V129-Y132 PolarHBondContact O-N 3.27Å; V129-M133 HydrophobicContact CG1-CG 4.37Å; V129-M133 WeakPolarHBondContact O-CB 3.31Å; V129-M133 WeakPolarHBondContact O-CG 3.32Å; V129-M133 PolarHBondContact O-N 3.12Å; V129-L218 HydrophobicContact CG1-CD1 3.72Å; V129-L221 HydrophobicContact CG1-CB 4.11Å; V129-L221 HydrophobicContact CG1-CD1 4.29Å; V129-L221 HydrophobicContact CG2-CB 4.21Å; V129-L222 HydrophobicContact CG1-CD2 4.19Å; V129-F310 HydrophobicContact CG1-CZ 4.27Å
130K98.6Very high97.2Very high23 Ų2333.2 Ų33.210%0.116%0.163CC..Hα-helixtrans-58.3-50.7174.6-69178.4-177.9-171.40111.5L126 L127 F128 Y132 Y134 F310 F311 E313 L314L126-K130 WeakPolarHBondContact O-CG 3.21Å; L126-K130 PolarHBondContact O-N 2.8Å; L127-K130 PolarHBondContact O-N 3.37Å; F128-K130 VanDerWaalsContact C-N 3.31Å; F128-K130 PolarHBondContact O-N 3.03Å; K130-Y132 PolarHBondContact O-N 3.24Å; K130-Y134 VanDerWaalsContact O-CB 3.23Å; K130-Y134 WeakPolarHBondContact O-CB 3.48Å; K130-Y134 PolarHBondContact O-N 3.23Å; K130-F310 HydrophobicContact CB-CE1 4.46Å; K130-F310 HydrophobicContact CD-CE2 4.42Å; K130-F310 HydrophobicContact CD-CZ 4.5Å; K130-F310 VanDerWaalsContact CD-O 3.29Å; K130-F310 WeakPolarHBondContact CD-O 3.4Å; K130-F310 WeakPolarHBondContact CE-O 3.42Å; K130-F310 HydrophobicContact CG-CD1 4.24Å; K130-F310 HydrophobicContact CG-CD2 4.41Å; K130-F310 HydrophobicContact CG-CE1 3.7Å; K130-F310 HydrophobicContact CG-CE2 3.86Å; K130-F310 HydrophobicContact CG-CZ 3.49Å; K130-F310 VanDerWaalsContact CG-CZ 3.49Å; K130-F310 PolarHBondContact NZ-O 3.18Å; K130-F311 HydrophobicContact CB-CD1 4.19Å; K130-F311 VanDerWaalsContact O-CE1 3.23Å; K130-F311 WeakPolarHBondContact O-CE1 3.42Å; K130-E313 HydrophobicContact CD-CB 4.28Å; K130-E313 WeakPolarHBondContact CD-OE2 3.47Å; K130-E313 WeakPolarHBondContact CE-OE2 3.41Å; K130-E313 IonicContact NZ-OE2 2.74Å; K130-E313 PolarHBondContact NZ-OE2 3.12Å; K130-L314 HydrophobicContact CB-CD1 4.16Å; K130-L314 HydrophobicContact CB-CD2 4.03Å; K130-L314 HydrophobicContact CB-CG 4.2Å
131L98.5Very high97.4Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-59.8-46.2-179.6-77.7167.4000112.7L127 F128 Q135 A165 L314 L321 L327 P328 L330L127-L131 HydrophobicContact CG-CD1 4.21Å; L127-L131 WeakPolarHBondContact O-CB 3.28Å; L127-L131 WeakPolarHBondContact O-CG 3.5Å; L127-L131 PolarHBondContact O-N 3.12Å; F128-L131 HydrophobicContact CD1-CD1 4.28Å; F128-L131 PolarHBondContact O-N 2.67Å; L131-Q135 WeakPolarHBondContact O-CB 3.32Å; L131-Q135 VanDerWaalsContact O-CG 3.28Å; L131-Q135 WeakPolarHBondContact O-CG 2.67Å; L131-Q135 PolarHBondContact O-N 3.32Å; L131-Q135 PolarHBondContact O-NE2 3.21Å; L131-A165 HydrophobicContact CD1-CB 3.93Å; L131-L314 HydrophobicContact CD2-CD2 3.86Å; L131-L314 HydrophobicContact CG-CD2 3.97Å; L131-L321 HydrophobicContact CD1-CD2 3.5Å; L131-L327 HydrophobicContact CD1-CD2 4.24Å; L131-L327 HydrophobicContact CD2-CD2 4.31Å; L131-P328 HydrophobicContact CD2-CG 3.99Å; L131-L330 HydrophobicContact CD2-CD1 3.9Å; L131-L330 HydrophobicContact CD2-CD2 4.1Å; L131-L330 HydrophobicContact CD2-CG 4.47Å
132Y98.7Very high97.6Very high11 Ų1119.8 Ų19.84%0.04310%0.104CC..Hα-helixtrans-69.3-46-176.6-58.4-18.7000110.7F128 V129 K130 Q135 L136 L160 A165 L167F128-Y132 HydrophobicContact CB-CD2 4.42Å; F128-Y132 HydrophobicContact CB-CE1 4.41Å; F128-Y132 HydrophobicContact CB-CE2 3.81Å; F128-Y132 HydrophobicContact CD1-CE1 4.16Å; F128-Y132 AromaticContact CD1-CZ 3.88Å; F128-Y132 WeakPolarHBondContact CD1-OH 3.38Å; F128-Y132 WeakPolarHBondContact O-CB 3.44Å; F128-Y132 WeakPolarHBondContact O-CD1 3.1Å; F128-Y132 VanDerWaalsContact O-CD2 3.27Å; F128-Y132 WeakPolarHBondContact O-CD2 3.48Å; F128-Y132 PolarHBondContact O-N 3.29Å; V129-Y132 PolarHBondContact O-N 3.27Å; K130-Y132 PolarHBondContact O-N 3.24Å; Y132-Q135 PolarHBondContact O-N 3.46Å; Y132-L136 WeakPolarHBondContact O-CB 3.4Å; Y132-L136 PolarHBondContact O-N 3.3Å; Y132-L160 HydrophobicContact CD1-CD2 3.56Å; Y132-L160 HydrophobicContact CD2-CD1 4.24Å; Y132-L160 HydrophobicContact CD2-CD2 4.4Å; Y132-L160 HydrophobicContact CE1-CD1 4.21Å; Y132-L160 HydrophobicContact CE1-CD2 3.57Å; Y132-L160 HydrophobicContact CE2-CD1 3.75Å; Y132-L160 HydrophobicContact CE2-CD2 4.38Å; Y132-L160 HydrophobicContact CG-CD2 4.02Å; Y132-A165 HydrophobicContact CE1-CB 4.45Å; Y132-L167 HydrophobicContact CG-CD1 4.37Å; Y132-L167 WeakPolarHBondContact O-CD1 3.41Å
133M98.9Very high97.8Very high1 Ų114.5 Ų14.51%0.0058%0.079CC..Hα-helixtrans-68.6-39.1-179.2-67.1-54.7-48.400112.6V129 Q135 L136 F137 A214 V217 L218 L221 F311V129-M133 HydrophobicContact CG1-CG 4.37Å; V129-M133 WeakPolarHBondContact O-CB 3.31Å; V129-M133 WeakPolarHBondContact O-CG 3.32Å; V129-M133 PolarHBondContact O-N 3.12Å; M133-Q135 PolarHBondContact O-N 3.21Å; M133-L136 HydrophobicContact CE-CD2 3.78Å; M133-L136 PolarHBondContact O-N 3.49Å; M133-L136 HydrophobicContact SD-CD2 4.2Å; M133-F137 HydrophobicContact CB-CE2 4.2Å; M133-F137 HydrophobicContact CE-CE2 3.74Å; M133-F137 HydrophobicContact CE-CZ 3.71Å; M133-F137 WeakPolarHBondContact O-CD2 3.21Å; M133-F137 WeakPolarHBondContact O-CG 3.41Å; M133-F137 PolarHBondContact O-N 2.86Å; M133-A214 HydrophobicContact CE-CB 4.18Å; M133-A214 VanDerWaalsContact CE-O 3.29Å; M133-A214 WeakPolarHBondContact CE-O 3.42Å; M133-V217 HydrophobicContact SD-CB 4.34Å; M133-V217 HydrophobicContact SD-CG1 3.79Å; M133-L218 HydrophobicContact CE-CB 3.88Å; M133-L218 HydrophobicContact CG-CB 4.19Å; M133-L218 HydrophobicContact CG-CD1 3.86Å; M133-L218 HydrophobicContact SD-CB 4.04Å; M133-L221 HydrophobicContact CG-CD1 4.22Å; M133-L221 HydrophobicContact SD-CD1 4.01Å; M133-F311 HydrophobicContact CB-CE1 4.01Å; M133-F311 HydrophobicContact CB-CZ 3.94Å
134Y98.8Very high98.1Very high2 Ų212 Ų121%0.0086%0.062CC..Hα-helixtrans-59.2-48.3174.5-177.7-87000111.5K130 L136 F137 R138 C306 F311 L314 L330K130-Y134 VanDerWaalsContact O-CB 3.23Å; K130-Y134 WeakPolarHBondContact O-CB 3.48Å; K130-Y134 PolarHBondContact O-N 3.23Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-L136 PolarHBondContact O-N 2.82Å; Y134-F137 PolarHBondContact O-N 3.03Å; Y134-R138 WeakPolarHBondContact O-CB 3.39Å; Y134-R138 PolarHBondContact O-N 3.48Å; Y134-C306 HydrophobicContact CD2-CB 4.26Å; Y134-C306 HydrophobicContact CE2-CB 3.87Å; Y134-C306 WeakPolarHBondContact CE2-O 3.44Å; Y134-F311 HydrophobicContact CD2-CB 4.07Å; Y134-F311 HydrophobicContact CD2-CD1 4.19Å; Y134-F311 HydrophobicContact CD2-CD2 4.31Å; Y134-F311 AromaticContact CD2-CG 3.93Å; Y134-F311 HydrophobicContact CD2-CG 3.93Å; Y134-F311 HydrophobicContact CG-CD1 4.5Å; Y134-L314 HydrophobicContact CD2-CD1 4.19Å; Y134-L314 HydrophobicContact CG-CD1 3.92Å; Y134-L330 HydrophobicContact CD1-CD2 3.96Å; Y134-L330 HydrophobicContact CE1-CB 4.01Å; Y134-L330 HydrophobicContact CE1-CD2 4.27Å
135Q98.8Very high98.3Very high1 Ų115.5 Ų15.51%0.0058%0.078CC..Hα-helixtrans-66.7-33.5179.5-72.6174.492.400112.4N79 L131 Y132 M133 S139 A165 L167 L330N79-Q135 HydrophobicContact CB-CB 4.44Å; N79-Q135 WeakPolarHBondContact CB-O 3.01Å; N79-Q135 WeakPolarHBondContact ND2-CB 3.14Å; N79-Q135 WeakPolarHBondContact ND2-CG 3.34Å; N79-Q135 PolarHBondContact ND2-OE1 3.09Å; L131-Q135 WeakPolarHBondContact O-CB 3.32Å; L131-Q135 VanDerWaalsContact O-CG 3.28Å; L131-Q135 WeakPolarHBondContact O-CG 2.67Å; L131-Q135 PolarHBondContact O-N 3.32Å; L131-Q135 PolarHBondContact O-NE2 3.21Å; Y132-Q135 PolarHBondContact O-N 3.46Å; M133-Q135 PolarHBondContact O-N 3.21Å; Q135-S139 PolarHBondContact O-N 3.41Å; Q135-A165 PolarHBondContact NE2-O 2.88Å; Q135-L167 HydrophobicContact CB-CB 3.89Å; Q135-L167 HydrophobicContact CB-CD2 4.28Å; Q135-L330 HydrophobicContact CG-CD2 3.89Å
136L98.9Very high98.4Very high0 Ų015.9 Ų15.90%07%0.074CC..Hα-helixtrans-63-52.6171172.756000110.6Y132 M133 Y134 R138 S139 L140 I153 L158 L167 A214Y132-L136 WeakPolarHBondContact O-CB 3.4Å; Y132-L136 PolarHBondContact O-N 3.3Å; M133-L136 HydrophobicContact CE-CD2 3.78Å; M133-L136 PolarHBondContact O-N 3.49Å; M133-L136 HydrophobicContact SD-CD2 4.2Å; Y134-L136 VanDerWaalsContact C-N 3.32Å; Y134-L136 PolarHBondContact O-N 2.82Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 2.7Å; L136-S139 WeakPolarHBondContact O-CB 3.23Å; L136-S139 PolarHBondContact O-N 3.24Å; L136-S139 PolarHBondContact O-OG 2.61Å; L136-L140 HydrophobicContact CD1-CD1 4.19Å; L136-L140 HydrophobicContact CD1-CD2 4.4Å; L136-L140 HydrophobicContact CD1-CG 3.99Å; L136-L140 HydrophobicContact CG-CD1 4.28Å; L136-L140 HydrophobicContact CG-CG 4.46Å; L136-L140 WeakPolarHBondContact O-CG 3.29Å; L136-L140 PolarHBondContact O-N 2.72Å; L136-I153 HydrophobicContact CD1-CD1 4.37Å; L136-I153 HydrophobicContact CD1-CG2 4.32Å; L136-I153 HydrophobicContact CD2-CG2 4.18Å; L136-L158 HydrophobicContact CD1-CD2 3.7Å; L136-L158 HydrophobicContact CD2-CD1 3.97Å; L136-L158 HydrophobicContact CD2-CD2 4.34Å; L136-L167 HydrophobicContact CB-CD2 4.38Å; L136-A214 HydrophobicContact CD2-CB 3.88Å; L136-A214 HydrophobicContact CG-CB 4.45Å
137F98.8Very high98.4Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-60.4-38.3178.7-71.3-54000112.6M133 Y134 S139 L140 A141 A214 L287 L291 P302 A305 C306 F311M133-F137 HydrophobicContact CB-CE2 4.2Å; M133-F137 HydrophobicContact CE-CE2 3.74Å; M133-F137 HydrophobicContact CE-CZ 3.71Å; M133-F137 WeakPolarHBondContact O-CD2 3.21Å; M133-F137 WeakPolarHBondContact O-CG 3.41Å; M133-F137 PolarHBondContact O-N 2.86Å; Y134-F137 PolarHBondContact O-N 3.03Å; F137-S139 PolarHBondContact O-N 2.99Å; F137-L140 HydrophobicContact CD1-CD1 4.41Å; F137-L140 PolarHBondContact O-N 3.45Å; F137-A141 WeakPolarHBondContact O-CB 3.41Å; F137-A141 PolarHBondContact O-N 3.18Å; F137-A214 HydrophobicContact CD1-CB 4.48Å; F137-A214 HydrophobicContact CE1-CB 3.67Å; F137-A214 HydrophobicContact CZ-CB 4.12Å; F137-L287 HydrophobicContact CE2-CD2 4.41Å; F137-L291 HydrophobicContact CE1-CD1 4.35Å; F137-L291 HydrophobicContact CE1-CD2 3.86Å; F137-L291 HydrophobicContact CE2-CD1 4.4Å; F137-L291 HydrophobicContact CZ-CD1 3.57Å; F137-L291 HydrophobicContact CZ-CD2 3.85Å; F137-L291 HydrophobicContact CZ-CG 4.38Å; F137-P302 HydrophobicContact CB-CB 4.43Å; F137-P302 HydrophobicContact CD1-CB 4.4Å; F137-P302 VanDerWaalsContact O-CB 3.31Å; F137-P302 WeakPolarHBondContact O-CB 3.25Å; F137-A305 HydrophobicContact CB-CB 4.41Å; F137-A305 HydrophobicContact CD1-CB 3.79Å; F137-A305 HydrophobicContact CD2-CB 3.79Å; F137-A305 HydrophobicContact CE1-CB 3.97Å; F137-A305 HydrophobicContact CE2-CB 3.98Å; F137-A305 HydrophobicContact CG-CB 3.73Å; F137-A305 HydrophobicContact CZ-CB 4.08Å; F137-C306 VanDerWaalsContact CB-SG 3.51Å; F137-F311 HydrophobicContact CD2-CE2 4.08Å; F137-F311 AromaticContact CD2-CZ 3.9Å; F137-F311 HydrophobicContact CD2-CZ 3.9Å; F137-F311 HydrophobicContact CE2-CE2 4.29Å; F137-F311 AromaticContact CE2-CZ 3.98Å; F137-F311 HydrophobicContact CE2-CZ 3.98Å
138R98.1Very high98.4Very high6 Ų613.5 Ų13.52%0.0237%0.068CC..Hα-helixtrans-61.3-42.6173-166.9-178.4168.6-163.8-2.5112Y134 L136 Y142 L330 N332 E337Y134-R138 WeakPolarHBondContact O-CB 3.39Å; Y134-R138 PolarHBondContact O-N 3.48Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 2.7Å; R138-Y142 PolarHBondContact O-N 2.92Å; R138-L330 PolarHBondContact NH1-O 3.02Å; R138-N332 PolarHBondContact NH1-OD1 2.76Å; R138-N332 PolarHBondContact NH2-O 2.92Å; R138-E337 WeakPolarHBondContact CG-OE1 3.32Å; R138-E337 IonicContact CZ-OE1 3.06Å; R138-E337 IonicContact CZ-OE2 2.58Å; R138-E337 IonicContact NE-OE1 3.29Å; R138-E337 PolarHBondContact NE-OE1 3Å; R138-E337 IonicContact NE-OE2 3.52Å; R138-E337 IonicContact NH2-OE1 2.8Å; R138-E337 PolarHBondContact NH2-OE1 3.32Å; R138-E337 IonicContact NH2-OE2 3.97Å; R138-E337 PolarHBondContact NH2-OE2 3.18Å
139S98.8Very high98.5Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-65.3-37.9174.375.90000113N79 Q135 L136 F137 Y142 I143N79-S139 WeakPolarHBondContact O-CB 3.24Å; Q135-S139 PolarHBondContact O-N 3.41Å; L136-S139 WeakPolarHBondContact O-CB 3.23Å; L136-S139 PolarHBondContact O-N 3.24Å; L136-S139 PolarHBondContact O-OG 2.61Å; F137-S139 PolarHBondContact O-N 2.99Å; S139-Y142 PolarHBondContact O-N 2.91Å; S139-I143 PolarHBondContact O-N 3.35Å
140L98.9Very high98.5Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-67.3-46.3177-69.9-177000111.4L136 F137 Y142 I143 H144 I153 L169 D210 A214 P302L136-L140 HydrophobicContact CD1-CD1 4.19Å; L136-L140 HydrophobicContact CD1-CD2 4.4Å; L136-L140 HydrophobicContact CD1-CG 3.99Å; L136-L140 HydrophobicContact CG-CD1 4.28Å; L136-L140 HydrophobicContact CG-CG 4.46Å; L136-L140 WeakPolarHBondContact O-CG 3.29Å; L136-L140 PolarHBondContact O-N 2.72Å; F137-L140 HydrophobicContact CD1-CD1 4.41Å; F137-L140 PolarHBondContact O-N 3.45Å; L140-Y142 PolarHBondContact O-N 3.11Å; L140-I143 HydrophobicContact CD2-CD1 3.94Å; L140-I143 HydrophobicContact CD2-CG1 4.47Å; L140-I143 WeakPolarHBondContact O-CG1 3.42Å; L140-I143 PolarHBondContact O-N 3.5Å; L140-H144 VanDerWaalsContact O-CB 3.23Å; L140-H144 WeakPolarHBondContact O-CB 3.38Å; L140-H144 PolarHBondContact O-CD2 3.07Å; L140-H144 PolarHBondContact O-N 3.05Å; L140-I153 HydrophobicContact CD2-CD1 3.77Å; L140-I153 HydrophobicContact CD2-CG1 4.05Å; L140-L169 HydrophobicContact CD2-CD2 4.43Å; L140-D210 HydrophobicContact CD1-CB 4.3Å; L140-D210 HydrophobicContact CD2-CB 3.98Å; L140-A214 HydrophobicContact CD1-CB 3.99Å; L140-P302 HydrophobicContact CB-CB 3.91Å; L140-P302 HydrophobicContact CB-CG 3.82Å
141A98.4Very high98.5Very high7 Ų711.6 Ų11.66%0.0586%0.059CC..Hα-helixtrans-51.1-45.8173.500000111.1F137 H145 P302 L303F137-A141 WeakPolarHBondContact O-CB 3.41Å; F137-A141 PolarHBondContact O-N 3.18Å; A141-H145 WeakPolarHBondContact O-CB 3.39Å; A141-H145 PolarHBondContact O-N 3.12Å; A141-P302 HydrophobicContact CB-CB 3.98Å; A141-L303 HydrophobicContact CB-CD2 3.61Å; A141-L303 HydrophobicContact CB-CG 3.69Å
142Y98.5Very high98.5Very high8 Ų811.9 Ų11.93%0.0316%0.061CC..Hα-helixtrans-61.1-48.8179.8179.6-87.8000113.6L75 D76 H77 I80 R138 S139 L140 K146 Y336 E337 M340L75-Y142 HydrophobicContact CB-CE1 4.41Å; L75-Y142 HydrophobicContact CD2-CD1 4.46Å; L75-Y142 HydrophobicContact CD2-CE1 3.86Å; D76-Y142 PolarHBondContact N-OH 2.99Å; D76-Y142 PolarHBondContact O-OH 3.47Å; D76-Y142 VanDerWaalsContact O-OH 3.07Å; H77-Y142 HydrophobicContact CB-CD1 3.94Å; H77-Y142 HydrophobicContact CB-CD2 4.01Å; H77-Y142 HydrophobicContact CB-CE1 4.02Å; H77-Y142 HydrophobicContact CB-CE2 4.06Å; H77-Y142 HydrophobicContact CB-CG 3.94Å; H77-Y142 AromaticContact CD2-CD2 3.5Å; H77-Y142 VanDerWaalsContact CD2-CD2 3.5Å; H77-Y142 WeakPolarHBondContact CD2-CD2 3.47Å; H77-Y142 AromaticContact CD2-CG 3.74Å; H77-Y142 AromaticContact CG-CD2 3.96Å; H77-Y142 AromaticContact CG-CG 3.87Å; I80-Y142 HydrophobicContact CD1-CD1 3.58Å; I80-Y142 HydrophobicContact CD1-CE1 4.06Å; I80-Y142 HydrophobicContact CD1-CG 4.46Å; R138-Y142 PolarHBondContact O-N 2.92Å; S139-Y142 PolarHBondContact O-N 2.91Å; L140-Y142 PolarHBondContact O-N 3.11Å; Y142-K146 HydrophobicContact CE1-CD 4.04Å; Y142-K146 VanDerWaalsContact OH-CE 3.24Å; Y142-K146 WeakPolarHBondContact OH-CE 3.38Å; Y142-Y336 AromaticContact CD2-CD1 3.76Å; Y142-Y336 HydrophobicContact CD2-CD1 3.76Å; Y142-Y336 HydrophobicContact CD2-CE1 4.13Å; Y142-Y336 AromaticContact CE2-CD1 3.4Å; Y142-Y336 HydrophobicContact CE2-CD1 3.4Å; Y142-Y336 VanDerWaalsContact CE2-CD1 3.4Å; Y142-Y336 AromaticContact CE2-CE1 3.92Å; Y142-Y336 HydrophobicContact CE2-CE1 3.92Å; Y142-Y336 HydrophobicContact CE2-CG 4.34Å; Y142-E337 HydrophobicContact CD2-CG 4.41Å; Y142-M340 HydrophobicContact CD2-CE 3.75Å; Y142-M340 HydrophobicContact CG-CE 4.24Å
143I98.7Very high98.5Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-75.3-35.1-178.463.6173000111.9L75 I80 S139 L140 K146 G147 I148 H150 L169 F172L75-I143 HydrophobicContact CD2-CG2 4.06Å; I80-I143 HydrophobicContact CD1-CG2 3.52Å; S139-I143 PolarHBondContact O-N 3.35Å; L140-I143 HydrophobicContact CD2-CD1 3.94Å; L140-I143 HydrophobicContact CD2-CG1 4.47Å; L140-I143 WeakPolarHBondContact O-CG1 3.42Å; L140-I143 PolarHBondContact O-N 3.5Å; I143-K146 CarbonylContact O-C 3.57Å; I143-K146 WeakPolarHBondContact O-CA 3.39Å; I143-K146 WeakPolarHBondContact O-CB 3.35Å; I143-K146 PolarHBondContact O-N 2.8Å; I143-K146 VanDerWaalsContact O-N 3.09Å; I143-G147 PolarHBondContact O-N 2.78Å; I143-I148 CarbonylContact C-O 3.5Å; I143-I148 HydrophobicContact CB-CB 4.14Å; I143-I148 HydrophobicContact CB-CG2 4.34Å; I143-I148 WeakPolarHBondContact O-CA 3.39Å; I143-I148 WeakPolarHBondContact O-CB 3.49Å; I143-I148 PolarHBondContact O-N 3Å; I143-H150 HydrophobicContact CD1-CB 3.88Å; I143-L169 HydrophobicContact CD1-CD2 4.11Å; I143-F172 HydrophobicContact CD1-CE1 4.42Å; I143-F172 HydrophobicContact CG2-CE1 4.14Å; I143-F172 HydrophobicContact CG2-CZ 4.45Å
144H98.4Very high98.5Very high24 Ų2412.2 Ų12.211%0.1116%0.062CC..Hα-helixtrans-67.5-37.2178.8-68.8-177.7000111.6L140 K146 G147 I148 C207 D210 P302L140-H144 VanDerWaalsContact O-CB 3.23Å; L140-H144 WeakPolarHBondContact O-CB 3.38Å; L140-H144 PolarHBondContact O-CD2 3.07Å; L140-H144 PolarHBondContact O-N 3.05Å; H144-K146 PolarHBondContact O-N 3.13Å; H144-G147 WeakPolarHBondContact O-CA 3.5Å; H144-G147 PolarHBondContact O-N 3.26Å; H144-I148 PolarHBondContact CD2-O 3.25Å; H144-C207 HydrophobicContact CB-CB 4.35Å; H144-C207 PolarHBondContact CE1-O 3.35Å; H144-C207 VanDerWaalsContact CE1-O 3.25Å; H144-D210 IonicContact CD2-OD2 2.71Å; H144-D210 IonicContact CE1-OD2 3.87Å; H144-D210 IonicContact NE2-OD2 2.67Å; H144-D210 PolarHBondContact NE2-OD2 3.06Å; H144-P302 WeakPolarHBondContact ND1-CG 3.48Å
145H97.6Very high98.5Very high85 Ų8512.1 Ų12.139%0.3946%0.062SC..Hα-helixtrans-64.7-22.8173.5-168.470.6000112.8A141 G147 Y336 M340A141-H145 WeakPolarHBondContact O-CB 3.39Å; A141-H145 PolarHBondContact O-N 3.12Å; H145-G147 VanDerWaalsContact C-N 3.3Å; H145-Y336 AromaticContact CD2-CZ 3.74Å; H145-Y336 PolarHBondContact CD2-OH 3.33Å; H145-M340 HydrophobicContact CB-CE 4.1Å; H145-M340 HydrophobicContact CB-CG 3.98Å; H145-M340 HydrophobicContact CB-SD 4.16Å
146K97.6Very high98.4Very high57 Ų5715 Ų1525%0.2488%0.076CC..THydrogen-bonded Turntrans-85.22.7169.5-68.7-179.3179.6-60.10113.7Q74 L75 Y142 I143 H144 I148 Y336Q74-K146 WeakPolarHBondContact O-CE 3.41Å; L75-K146 HydrophobicContact CD2-CD 4.17Å; Y142-K146 HydrophobicContact CE1-CD 4.04Å; Y142-K146 VanDerWaalsContact OH-CE 3.24Å; Y142-K146 WeakPolarHBondContact OH-CE 3.38Å; I143-K146 CarbonylContact O-C 3.57Å; I143-K146 WeakPolarHBondContact O-CA 3.39Å; I143-K146 WeakPolarHBondContact O-CB 3.35Å; I143-K146 PolarHBondContact O-N 2.8Å; I143-K146 VanDerWaalsContact O-N 3.09Å; H144-K146 PolarHBondContact O-N 3.13Å; K146-I148 HydrophobicContact CB-CD1 3.76Å; K146-I148 HydrophobicContact CB-CG1 4.07Å; K146-I148 HydrophobicContact CD-CD1 4.2Å; K146-I148 PolarHBondContact O-N 3.47Å; K146-Y336 HydrophobicContact CD-CE1 4.38Å; K146-Y336 HydrophobicContact CG-CE1 4.01Å; K146-Y336 WeakPolarHBondContact CG-OH 3.42Å; K146-Y336 VanDerWaalsContact NZ-CZ 3.25Å; K146-Y336 PolarHBondContact NZ-OH 3.1Å
147G97.6Very high98.4Very high25 Ų2515.6 Ų15.626%0.2588%0.079SC..THydrogen-bonded Turntrans71.69.8-173.200000114.2I143 H144 H145 V177 L178I143-G147 PolarHBondContact O-N 2.78Å; H144-G147 WeakPolarHBondContact O-CA 3.5Å; H144-G147 PolarHBondContact O-N 3.26Å; H145-G147 VanDerWaalsContact C-N 3.3Å; G147-V177 CarbonylContact O-C 3.47Å; G147-V177 VanDerWaalsContact O-CA 3.29Å; G147-V177 WeakPolarHBondContact O-CA 3.19Å; G147-L178 PolarHBondContact O-N 2.83Å
148I98.7Very high98.4Very high0 Ų015.7 Ų15.70%08%0.079CC..EExtended strand (participates in β ladder)trans-89.8117.2-177.8-61.1161.8000109I71 L75 I143 H144 K146 A175 V177I71-I148 HydrophobicContact CD1-CG2 4.26Å; I71-I148 HydrophobicContact CG2-CD1 4.22Å; I71-I148 HydrophobicContact CG2-CG2 4.09Å; L75-I148 HydrophobicContact CD2-CD1 3.88Å; I143-I148 CarbonylContact C-O 3.5Å; I143-I148 HydrophobicContact CB-CB 4.14Å; I143-I148 HydrophobicContact CB-CG2 4.34Å; I143-I148 WeakPolarHBondContact O-CA 3.39Å; I143-I148 WeakPolarHBondContact O-CB 3.49Å; I143-I148 PolarHBondContact O-N 3Å; H144-I148 PolarHBondContact CD2-O 3.25Å; K146-I148 HydrophobicContact CB-CD1 3.76Å; K146-I148 HydrophobicContact CB-CG1 4.07Å; K146-I148 HydrophobicContact CD-CD1 4.2Å; K146-I148 PolarHBondContact O-N 3.47Å; I148-A175 HydrophobicContact CG2-CB 4.24Å; I148-V177 HydrophobicContact CG1-CG2 3.79Å
149C98.8Very high98.4Very high0 Ų016.6 Ų16.60%08%0.084CC..EExtended strand (participates in β ladder)trans-94.5133.1167.8-173.80000109.7R151 A175 K176 L178 I209 D210C149-R151 HydrophobicContact CB-CG 4.03Å; C149-R151 VanDerWaalsContact SG-CG 3.56Å; C149-A175 CarbonylContact O-C 3.6Å; C149-A175 WeakPolarHBondContact O-CA 3.4Å; C149-K176 PolarHBondContact N-O 3.38Å; C149-K176 PolarHBondContact O-N 3.35Å; C149-L178 HydrophobicContact CB-CD1 3.48Å; C149-L178 VanDerWaalsContact CB-CD1 3.48Å; C149-L178 HydrophobicContact CB-CD2 4.27Å; C149-L178 HydrophobicContact CB-CG 3.68Å; C149-I209 VanDerWaalsContact SG-CG1 3.53Å; C149-D210 WeakPolarHBondContact CA-OD2 3.31Å; C149-D210 VanDerWaalsContact SG-CG 3.56Å; C149-D210 PolarHBondContact SG-OD2 3.18Å
150H98.8Very high98.4Very high0 Ų016.6 Ų16.60%09%0.085CC..  trans-73.6-41.6-178.3-169.4-74.2000112.1I143 D152 I153 C170 D171 F172 S174 A175 D210I143-H150 HydrophobicContact CD1-CB 3.88Å; H150-D152 PolarHBondContact ND1-N 2.93Å; H150-D152 PolarHBondContact O-N 3.17Å; H150-I153 HydrophobicContact CB-CD1 3.71Å; H150-I153 HydrophobicContact CB-CG1 4.07Å; H150-C170 PolarHBondContact NE2-O 3.45Å; H150-D171 PolarHBondContact CE1-O 3.43Å; H150-D171 PolarHBondContact NE2-O 3.26Å; H150-F172 AromaticContact CD2-CE1 3.81Å; H150-S174 CarbonylContact O-C 3.58Å; H150-A175 WeakPolarHBondContact O-CA 3.42Å; H150-A175 PolarHBondContact O-N 3.48Å; H150-D210 PolarHBondContact N-OD2 3.41Å
151R98.6Very high98.2Very high17 Ų1719 Ų196%0.06410%0.097CC..SBendtrans63.415.2176.4-44.1-163.9-69.6158.12.7115.9C149 S174 I188 C189 Y205 I209 D210C149-R151 HydrophobicContact CB-CG 4.03Å; C149-R151 VanDerWaalsContact SG-CG 3.56Å; R151-S174 PolarHBondContact NE-O 3.09Å; R151-S174 PolarHBondContact NH2-O 3.21Å; R151-I188 HydrophobicContact CB-CG1 3.71Å; R151-I188 HydrophobicContact CB-CG2 4.34Å; R151-C189 WeakPolarHBondContact O-CA 3.43Å; R151-C189 WeakPolarHBondContact O-CB 3.31Å; R151-C189 PolarHBondContact O-N 3.17Å; R151-C189 VanDerWaalsContact O-N 3.12Å; R151-Y205 VanDerWaalsContact CD-OH 3.23Å; R151-Y205 WeakPolarHBondContact CD-OH 3.41Å; R151-Y205 PolarHBondContact NH1-OH 3.12Å; R151-I209 HydrophobicContact CB-CD1 4.24Å; R151-I209 HydrophobicContact CG-CD1 3.99Å; R151-D210 PolarHBondContact N-OD1 3.24Å
152D97.9Very high97.9Very high6 Ų621.9 Ų21.93%0.03212%0.116CC..  trans-159.645.3175.9-161.734.2000111.7H150 K154 N157 S190H150-D152 PolarHBondContact ND1-N 2.93Å; H150-D152 PolarHBondContact O-N 3.17Å; D152-K154 PolarHBondContact O-N 3.41Å; D152-K154 IonicContact OD1-NZ 3.24Å; D152-K154 PolarHBondContact OD1-NZ 2.9Å; D152-K154 VanDerWaalsContact OD2-CE 3.29Å; D152-K154 WeakPolarHBondContact OD2-CE 3.27Å; D152-K154 IonicContact OD2-NZ 2.75Å; D152-K154 PolarHBondContact OD2-NZ 3.01Å; D152-N157 PolarHBondContact O-ND2 3.31Å; D152-N157 PolarHBondContact OD2-ND2 3.47Å; D152-S190 WeakPolarHBondContact OD1-CB 3.49Å; D152-S190 PolarHBondContact OD1-N 3.39Å; D152-S190 PolarHBondContact OD1-OG 3.43Å
153I98.9Very high97.5Very high0 Ų023.7 Ų23.70%013%0.132CC..  trans-71.6122.1174.1-61.4-60.1000109L136 L140 H150 L169 Y193 D210 V217L136-I153 HydrophobicContact CD1-CD1 4.37Å; L136-I153 HydrophobicContact CD1-CG2 4.32Å; L136-I153 HydrophobicContact CD2-CG2 4.18Å; L140-I153 HydrophobicContact CD2-CD1 3.77Å; L140-I153 HydrophobicContact CD2-CG1 4.05Å; H150-I153 HydrophobicContact CB-CD1 3.71Å; H150-I153 HydrophobicContact CB-CG1 4.07Å; I153-L169 HydrophobicContact CD1-CD1 3.51Å; I153-L169 HydrophobicContact CD1-CD2 4.04Å; I153-L169 HydrophobicContact CD1-CG 4.43Å; I153-Y193 WeakPolarHBondContact O-CB 3.41Å; I153-D210 HydrophobicContact CG1-CB 4Å; I153-V217 HydrophobicContact CG2-CG2 4.38Å
154K98.4Very high97.4Very high18 Ų1826.4 Ų26.48%0.07815%0.148CC..  trans-163158.418061.8-169.6179.1-158.20110.4D152 Q156 N157 L158 S190 Y193D152-K154 PolarHBondContact O-N 3.41Å; D152-K154 IonicContact OD1-NZ 3.24Å; D152-K154 PolarHBondContact OD1-NZ 2.9Å; D152-K154 VanDerWaalsContact OD2-CE 3.29Å; D152-K154 WeakPolarHBondContact OD2-CE 3.27Å; D152-K154 IonicContact OD2-NZ 2.75Å; D152-K154 PolarHBondContact OD2-NZ 3.01Å; K154-Q156 HydrophobicContact CG-CB 4.32Å; K154-Q156 VanDerWaalsContact CG-OE1 3.29Å; K154-Q156 PolarHBondContact O-N 2.98Å; K154-N157 WeakPolarHBondContact CE-ND2 3.38Å; K154-N157 WeakPolarHBondContact CE-OD1 3.49Å; K154-N157 HydrophobicContact CG-CB 4.17Å; K154-N157 PolarHBondContact O-N 3.1Å; K154-L158 WeakPolarHBondContact O-CG 3.45Å; K154-S190 WeakPolarHBondContact CD-OG 3.34Å; K154-S190 PolarHBondContact NZ-OG 2.99Å; K154-Y193 HydrophobicContact CB-CD1 4.47Å; K154-Y193 HydrophobicContact CB-CD2 3.49Å; K154-Y193 VanDerWaalsContact CB-CD2 3.49Å; K154-Y193 HydrophobicContact CB-CE2 3.55Å; K154-Y193 HydrophobicContact CB-CG 4Å
155P98.6Very high97.3Very high1 Ų125.3 Ų25.31%0.00614%0.144CC..G310 helixtrans-55.7-25.6-176.1-27.937.7000115V110 Y111 Y193 V217V110-P155 HydrophobicContact CB-CB 4.21Å; V110-P155 HydrophobicContact CG1-CB 4.05Å; V110-P155 PolarHBondContact N-O 3.25Å; Y111-P155 PolarHBondContact N-O 3.46Å; P155-Y193 VanDerWaalsContact CD-CE1 3.42Å; P155-Y193 WeakPolarHBondContact CD-OH 3.31Å; P155-Y193 HydrophobicContact CG-CE1 4.06Å; P155-V217 HydrophobicContact CG-CG2 4.2Å
156Q97.3Very high97.3Very high62 Ų6222.6 Ų22.629%0.2913%0.133SC..G310 helixtrans-71.4-29.9177.3-61.281.6-400112.6Y111 K154 L158Y111-Q156 HydrophobicContact CD1-CG 4.24Å; Y111-Q156 HydrophobicContact CD2-CG 4.18Å; Y111-Q156 VanDerWaalsContact CD2-NE2 3.26Å; Y111-Q156 HydrophobicContact CG-CG 3.84Å; K154-Q156 HydrophobicContact CG-CB 4.32Å; K154-Q156 VanDerWaalsContact CG-OE1 3.29Å; K154-Q156 PolarHBondContact O-N 2.98Å; Q156-L158 VanDerWaalsContact C-N 3.31Å
157N98.1Very high97.4Very high11 Ų1119.9 Ų19.96%0.05912%0.121CC..G310 helixtrans-92.77.4-178.3-69.20.7000112.5D152 K154 C170D152-N157 PolarHBondContact O-ND2 3.31Å; D152-N157 PolarHBondContact OD2-ND2 3.47Å; K154-N157 WeakPolarHBondContact CE-ND2 3.38Å; K154-N157 WeakPolarHBondContact CE-OD1 3.49Å; K154-N157 HydrophobicContact CG-CB 4.17Å; K154-N157 PolarHBondContact O-N 3.1Å; N157-C170 PolarHBondContact O-N 3.36Å; N157-C170 PolarHBondContact O-SG 3.19Å; N157-C170 VanDerWaalsContact O-SG 3.35Å
158L98.8Very high97.5Very high2 Ų219.9 Ų19.91%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-109.796.9177.4-55.8-179.1000108.6T109 V110 L136 K154 Q156 L167 L169 V217T109-L158 CarbonylContact C-O 3.44Å; T109-L158 VanDerWaalsContact CA-O 3.24Å; T109-L158 WeakPolarHBondContact CA-O 3.05Å; V110-L158 HydrophobicContact CB-CB 3.9Å; V110-L158 HydrophobicContact CB-CD1 4.33Å; V110-L158 HydrophobicContact CG2-CB 3.4Å; V110-L158 HydrophobicContact CG2-CD1 4.01Å; V110-L158 HydrophobicContact CG2-CG 4.35Å; V110-L158 PolarHBondContact N-O 2.97Å; L136-L158 HydrophobicContact CD1-CD2 3.7Å; L136-L158 HydrophobicContact CD2-CD1 3.97Å; L136-L158 HydrophobicContact CD2-CD2 4.34Å; K154-L158 WeakPolarHBondContact O-CG 3.45Å; Q156-L158 VanDerWaalsContact C-N 3.31Å; L158-L167 HydrophobicContact CB-CD1 4.08Å; L158-L167 HydrophobicContact CD1-CD1 4.46Å; L158-L167 HydrophobicContact CD2-CD2 4.49Å; L158-L169 HydrophobicContact CD2-CD1 3.8Å; L158-V217 HydrophobicContact CD1-CG1 3.85Å; L158-V217 HydrophobicContact CD1-CG2 4.42Å
159L98.7Very high97.5Very high25 Ų2519.9 Ų19.913%0.13111%0.114CC..EExtended strand (participates in β ladder)trans-77.5144.1-179.8-51-179.3000110.5V81 I106 E108 T109 L167 K168 C170V81-L159 HydrophobicContact CB-CD1 4.41Å; V81-L159 HydrophobicContact CG2-CD1 4.13Å; I106-L159 HydrophobicContact CB-CB 3.66Å; I106-L159 HydrophobicContact CB-CD1 3.92Å; I106-L159 HydrophobicContact CB-CG 4.38Å; I106-L159 HydrophobicContact CG1-CB 4.23Å; I106-L159 HydrophobicContact CG1-CD1 4.1Å; I106-L159 HydrophobicContact CG2-CB 3.53Å; E108-L159 CarbonylContact O-C 3.59Å; E108-L159 WeakPolarHBondContact O-CA 3.44Å; T109-L159 HydrophobicContact CG2-CD2 3.82Å; L159-L167 CarbonylContact O-C 3.58Å; L159-L167 VanDerWaalsContact O-CA 3.3Å; L159-L167 WeakPolarHBondContact O-CA 3.24Å; L159-K168 HydrophobicContact CB-CB 4.48Å; L159-K168 WeakPolarHBondContact CB-O 3.38Å; L159-K168 PolarHBondContact N-O 3.06Å; L159-K168 PolarHBondContact O-N 3.5Å; L159-C170 HydrophobicContact CD1-CB 3.68Å; L159-C170 HydrophobicContact CG-CB 3.88Å; L159-C170 VanDerWaalsContact CG-SG 3.57Å
160L98.3Very high97.4Very high1 Ų120.7 Ų20.71%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-128.5137.5-178.4-68.8-179.6000111.6I106 E108 V110 V113 Y132 P162 V166 L167I106-L160 WeakPolarHBondContact CG2-O 3.37Å; E108-L160 HydrophobicContact CB-CB 4.17Å; E108-L160 WeakPolarHBondContact CB-O 3.12Å; E108-L160 PolarHBondContact N-O 3.46Å; E108-L160 VanDerWaalsContact N-O 3.13Å; E108-L160 PolarHBondContact O-N 2.89Å; V110-L160 HydrophobicContact CB-CD1 4.29Å; V110-L160 HydrophobicContact CG2-CD1 3.72Å; V110-L160 HydrophobicContact CG2-CD2 3.95Å; V110-L160 HydrophobicContact CG2-CG 3.77Å; V113-L160 HydrophobicContact CB-CD1 4.2Å; V113-L160 HydrophobicContact CG2-CD1 3.78Å; Y132-L160 HydrophobicContact CD1-CD2 3.56Å; Y132-L160 HydrophobicContact CD2-CD1 4.24Å; Y132-L160 HydrophobicContact CD2-CD2 4.4Å; Y132-L160 HydrophobicContact CE1-CD1 4.21Å; Y132-L160 HydrophobicContact CE1-CD2 3.57Å; Y132-L160 HydrophobicContact CE2-CD1 3.75Å; Y132-L160 HydrophobicContact CE2-CD2 4.38Å; Y132-L160 HydrophobicContact CG-CD2 4.02Å; L160-P162 WeakPolarHBondContact O-CD 3.4Å; L160-V166 WeakPolarHBondContact CA-O 3.4Å; L160-L167 HydrophobicContact CD2-CB 3.79Å; L160-L167 HydrophobicContact CD2-CD1 3.95Å; L160-L167 HydrophobicContact CD2-CG 4.06Å
161N96.5Very high97.3Very high50 Ų5022.4 Ų22.427%0.26713%0.129SC..EExtended strand (participates in β ladder)trans-99.1105.1159.3-175.1-28.1000109A163 T164 A165 V166N161-A163 PolarHBondContact O-N 2.87Å; N161-A163 PolarHBondContact OD1-N 2.97Å; N161-A163 VanDerWaalsContact OD1-N 3.09Å; N161-T164 WeakPolarHBondContact CB-OG1 3.17Å; N161-T164 VanDerWaalsContact CG-OG1 3.3Å; N161-T164 PolarHBondContact O-N 2.95Å; N161-A165 WeakPolarHBondContact O-CA 3.47Å; N161-A165 PolarHBondContact O-N 3.39Å; N161-V166 PolarHBondContact N-O 3.22Å
162P90.4Very high97.2Very high68 Ų6821.6 Ų21.644%0.44213%0.126SC..THydrogen-bonded Turntrans-62.6-27.5-175.7-23.133.8000114.1E108 L160E108-P162 HydrophobicContact CB-CG 3.88Å; E108-P162 HydrophobicContact CG-CG 3.56Å; L160-P162 WeakPolarHBondContact O-CD 3.4Å
163A91Very high97.1Very high45 Ų4522.8 Ų22.837%0.37214%0.139SC..THydrogen-bonded Turntrans-75.9-25.2-176.800000113.2N161 R325N161-A163 PolarHBondContact O-N 2.87Å; N161-A163 PolarHBondContact OD1-N 2.97Å; N161-A163 VanDerWaalsContact OD1-N 3.09Å; A163-R325 PolarHBondContact O-NH1 3.26Å; A163-R325 VanDerWaalsContact O-NH1 3.16Å
164T95.7Very high96.9Very high57 Ų5723.3 Ų23.335%0.3514%0.143SC..THydrogen-bonded Turntrans-118.1-8.5-17762.60000113.4N161 V166N161-T164 WeakPolarHBondContact CB-OG1 3.17Å; N161-T164 VanDerWaalsContact CG-OG1 3.3Å; N161-T164 PolarHBondContact O-N 2.95Å; T164-V166 PolarHBondContact O-N 3.17Å; T164-V166 WeakPolarHBondContact OG1-CG2 3.11Å; T164-V166 PolarHBondContact OG1-N 2.89Å
165A97.2Very high96.9Very high1 Ų122.5 Ų22.51%0.00814%0.14CC..THydrogen-bonded Turntrans57.618.6-172.200000114.8F128 L131 Y132 Q135 N161 L321F128-A165 HydrophobicContact CD1-CB 4.26Å; F128-A165 HydrophobicContact CE1-CB 4.08Å; L131-A165 HydrophobicContact CD1-CB 3.93Å; Y132-A165 HydrophobicContact CE1-CB 4.45Å; Q135-A165 PolarHBondContact NE2-O 2.88Å; N161-A165 WeakPolarHBondContact O-CA 3.47Å; N161-A165 PolarHBondContact O-N 3.39Å; A165-L321 HydrophobicContact CB-CD1 4.24Å; A165-L321 HydrophobicContact CB-CD2 3.79Å
166V98.3Very high96.8Very high28 Ų2823.7 Ų23.717%0.1715%0.145CC..EExtended strand (participates in β ladder)trans-71129.5174.31730000109.6L160 N161 T164 K168 P328L160-V166 WeakPolarHBondContact CA-O 3.4Å; N161-V166 PolarHBondContact N-O 3.22Å; T164-V166 PolarHBondContact O-N 3.17Å; T164-V166 WeakPolarHBondContact OG1-CG2 3.11Å; T164-V166 PolarHBondContact OG1-N 2.89Å; V166-K168 HydrophobicContact CG1-CG 4.24Å; V166-P328 HydrophobicContact CG2-CB 3.69Å
167L98.8Very high96.9Very high0 Ų023.7 Ų23.70%015%0.149CC..EExtended strand (participates in β ladder)trans-103.6138.1169.7-179.5149.8000110.4N79 V110 Y132 Q135 L136 L158 L159 L160N79-L167 WeakPolarHBondContact CA-O 3.18Å; N79-L167 WeakPolarHBondContact CB-O 3.29Å; N79-L167 PolarHBondContact ND2-O 3.03Å; V110-L167 HydrophobicContact CG2-CD1 3.87Å; Y132-L167 HydrophobicContact CG-CD1 4.37Å; Y132-L167 WeakPolarHBondContact O-CD1 3.41Å; Q135-L167 HydrophobicContact CB-CB 3.89Å; Q135-L167 HydrophobicContact CB-CD2 4.28Å; L136-L167 HydrophobicContact CB-CD2 4.38Å; L158-L167 HydrophobicContact CB-CD1 4.08Å; L158-L167 HydrophobicContact CD1-CD1 4.46Å; L158-L167 HydrophobicContact CD2-CD2 4.49Å; L159-L167 CarbonylContact O-C 3.58Å; L159-L167 VanDerWaalsContact O-CA 3.3Å; L159-L167 WeakPolarHBondContact O-CA 3.24Å; L160-L167 HydrophobicContact CD2-CB 3.79Å; L160-L167 HydrophobicContact CD2-CD1 3.95Å; L160-L167 HydrophobicContact CD2-CG 4.06Å
168K98.8Very high96.8Very high25 Ų2524.7 Ų24.711%0.10915%0.154CC..EExtended strand (participates in β ladder)trans-131.7125.1173.9-76.8171172.3-750111.2P78 N79 I80 E104 I106 L159 V166P78-K168 WeakPolarHBondContact O-CE 3.47Å; P78-K168 PolarHBondContact O-NZ 3.05Å; N79-K168 WeakPolarHBondContact O-CA 3.37Å; I80-K168 PolarHBondContact O-NZ 3.03Å; E104-K168 VanDerWaalsContact CD-CE 3.47Å; E104-K168 VanDerWaalsContact OE1-CD 3.29Å; E104-K168 WeakPolarHBondContact OE1-CD 3.29Å; E104-K168 WeakPolarHBondContact OE1-CE 3.3Å; E104-K168 IonicContact OE1-NZ 3.15Å; E104-K168 PolarHBondContact OE1-NZ 3.15Å; E104-K168 WeakPolarHBondContact OE2-CE 3.43Å; E104-K168 IonicContact OE2-NZ 2.8Å; E104-K168 PolarHBondContact OE2-NZ 3.05Å; I106-K168 HydrophobicContact CD1-CD 3.62Å; I106-K168 HydrophobicContact CG1-CD 3.87Å; L159-K168 HydrophobicContact CB-CB 4.48Å; L159-K168 WeakPolarHBondContact CB-O 3.38Å; L159-K168 PolarHBondContact N-O 3.06Å; L159-K168 PolarHBondContact O-N 3.5Å; V166-K168 HydrophobicContact CG1-CG 4.24Å
169L98.9Very high96.8Very high0 Ų027.9 Ų27.90%017%0.173CC..EExtended strand (participates in β ladder)trans-70.7136.4172-178.560000110.5N79 I80 V81 L140 I143 I153 L158 F172N79-L169 PolarHBondContact O-N 3.2Å; I80-L169 HydrophobicContact CG1-CB 4.5Å; V81-L169 PolarHBondContact N-O 3.07Å; L140-L169 HydrophobicContact CD2-CD2 4.43Å; I143-L169 HydrophobicContact CD1-CD2 4.11Å; I153-L169 HydrophobicContact CD1-CD1 3.51Å; I153-L169 HydrophobicContact CD1-CD2 4.04Å; I153-L169 HydrophobicContact CD1-CG 4.43Å; L158-L169 HydrophobicContact CD2-CD1 3.8Å; L169-F172 HydrophobicContact CD2-CZ 4.12Å; L169-F172 HydrophobicContact CG-CZ 4.22Å
170C98.1Very high96.6Very high17 Ų1738.7 Ų38.712%0.11521%0.212CC..  trans-136.8175.9178.176.10000112.5V81 H150 N157 L159V81-C170 HydrophobicContact CB-CB 4.13Å; V81-C170 HydrophobicContact CG1-CB 3.66Å; H150-C170 PolarHBondContact NE2-O 3.45Å; N157-C170 PolarHBondContact O-N 3.36Å; N157-C170 PolarHBondContact O-SG 3.19Å; N157-C170 VanDerWaalsContact O-SG 3.35Å; L159-C170 HydrophobicContact CD1-CB 3.68Å; L159-C170 HydrophobicContact CG-CB 3.88Å; L159-C170 VanDerWaalsContact CG-SG 3.57Å
171D95.9Very high96.4Very high36 Ų3642.4 Ų42.419%0.19325%0.251CS..  trans65.972.1177.3-162.110.3000115.1K56 H150 G173K56-D171 IonicContact NZ-OD1 2.7Å; K56-D171 PolarHBondContact NZ-OD1 2.89Å; H150-D171 PolarHBondContact CE1-O 3.43Å; H150-D171 PolarHBondContact NE2-O 3.26Å; D171-G173 PolarHBondContact O-N 3.35Å; D171-G173 PolarHBondContact OD1-N 3.43Å
172F97.1Very high96.4Very high0 Ų044.6 Ų44.60%026%0.259CS..G310 helixtrans-83.516.4176.4-70.6-95000112.7E68 I71 M72 L75 I80 I143 H150 L169 S174 A175E68-F172 HydrophobicContact CG-CB 4Å; E68-F172 PolarHBondContact OE1-N 3.31Å; I71-F172 HydrophobicContact CG2-CB 4.24Å; I71-F172 HydrophobicContact CG2-CD1 3.69Å; I71-F172 HydrophobicContact CG2-CE1 4.42Å; I71-F172 HydrophobicContact CG2-CG 4.18Å; M72-F172 HydrophobicContact CG-CB 4.13Å; M72-F172 HydrophobicContact CG-CD2 4.18Å; M72-F172 HydrophobicContact CG-CG 4.32Å; L75-F172 HydrophobicContact CD1-CD1 3.85Å; L75-F172 HydrophobicContact CD1-CD2 4.24Å; L75-F172 HydrophobicContact CD1-CE1 3.4Å; L75-F172 VanDerWaalsContact CD1-CE1 3.4Å; L75-F172 HydrophobicContact CD1-CE2 3.85Å; L75-F172 HydrophobicContact CD1-CG 4.25Å; L75-F172 HydrophobicContact CD1-CZ 3.41Å; L75-F172 VanDerWaalsContact CD1-CZ 3.41Å; I80-F172 HydrophobicContact CD1-CZ 4.42Å; I80-F172 HydrophobicContact CG2-CE2 3.69Å; I80-F172 HydrophobicContact CG2-CZ 3.76Å; I143-F172 HydrophobicContact CD1-CE1 4.42Å; I143-F172 HydrophobicContact CG2-CE1 4.14Å; I143-F172 HydrophobicContact CG2-CZ 4.45Å; H150-F172 AromaticContact CD2-CE1 3.81Å; L169-F172 HydrophobicContact CD2-CZ 4.12Å; L169-F172 HydrophobicContact CG-CZ 4.22Å; F172-S174 PolarHBondContact O-N 3.13Å; F172-A175 HydrophobicContact CB-CB 3.98Å; F172-A175 HydrophobicContact CD1-CB 3.74Å; F172-A175 HydrophobicContact CG-CB 4.34Å; F172-A175 WeakPolarHBondContact O-CB 3.36Å; F172-A175 PolarHBondContact O-N 2.9Å
173G94.7Very high96.6Very high31 Ų3145.8 Ų45.832%0.3227%0.267SS..G310 helixtrans-60.5-30.7179.500000113.6E68 D171E68-G173 PolarHBondContact OE1-N 2.77Å; E68-G173 WeakPolarHBondContact OE2-CA 3.38Å; D171-G173 PolarHBondContact O-N 3.35Å; D171-G173 PolarHBondContact OD1-N 3.43Å
174S95.5Very high96.9Very high12 Ų1244.1 Ų44.18%0.08425%0.252CS..G310 helixtrans-93.4-10.5175.3-65.40000113.3H150 R151 F172H150-S174 CarbonylContact O-C 3.58Å; R151-S174 PolarHBondContact NE-O 3.09Å; R151-S174 PolarHBondContact NH2-O 3.21Å; F172-S174 PolarHBondContact O-N 3.13Å
175A97.7Very high96.9Very high0 Ų045.8 Ų45.80%026%0.262CS..  trans-67.3151.3-170.700000112.3R67 I71 I148 C149 H150 F172R67-A175 WeakPolarHBondContact CD-O 3.27Å; I71-A175 HydrophobicContact CD1-CB 3.63Å; I71-A175 WeakPolarHBondContact CD1-O 3.38Å; I71-A175 HydrophobicContact CG2-CB 4.49Å; I148-A175 HydrophobicContact CG2-CB 4.24Å; C149-A175 CarbonylContact O-C 3.6Å; C149-A175 WeakPolarHBondContact O-CA 3.4Å; H150-A175 WeakPolarHBondContact O-CA 3.42Å; H150-A175 PolarHBondContact O-N 3.48Å; F172-A175 HydrophobicContact CB-CB 3.98Å; F172-A175 HydrophobicContact CD1-CB 3.74Å; F172-A175 HydrophobicContact CG-CB 4.34Å; F172-A175 WeakPolarHBondContact O-CB 3.36Å; F172-A175 PolarHBondContact O-N 2.9Å
176K97.7Very high96.7Very high27 Ų2747.2 Ų47.212%0.11727%0.272CS..EExtended strand (participates in β ladder)trans-151143.1177.3-166.1-172.2171.8-172.60110C149 L178 N184C149-K176 PolarHBondContact N-O 3.38Å; C149-K176 PolarHBondContact O-N 3.35Å; K176-L178 HydrophobicContact CB-CD2 4.35Å; K176-L178 HydrophobicContact CD-CD2 4.45Å; K176-L178 PolarHBondContact O-N 2.8Å; K176-N184 WeakPolarHBondContact CD-OD1 3.48Å; K176-N184 WeakPolarHBondContact CE-OD1 3.43Å; K176-N184 PolarHBondContact NZ-OD1 3.21Å
177V98.1Very high96.6Very high62 Ų6252.4 Ų52.438%0.37629%0.29SS..EExtended strand (participates in β ladder)trans-71.5118.9163.2-179.70000107.8G147 I148G147-V177 CarbonylContact O-C 3.47Å; G147-V177 VanDerWaalsContact O-CA 3.29Å; G147-V177 WeakPolarHBondContact O-CA 3.19Å; I148-V177 HydrophobicContact CG1-CG2 3.79Å
178L97.7Very high96.3Very high31 Ų3153.9 Ų53.916%0.16230%0.297CS..  trans-87.6121.8179.4-57.1-174.4000109.5G147 C149 K176 Y205G147-L178 PolarHBondContact O-N 2.83Å; C149-L178 HydrophobicContact CB-CD1 3.48Å; C149-L178 VanDerWaalsContact CB-CD1 3.48Å; C149-L178 HydrophobicContact CB-CD2 4.27Å; C149-L178 HydrophobicContact CB-CG 3.68Å; K176-L178 HydrophobicContact CB-CD2 4.35Å; K176-L178 HydrophobicContact CD-CD2 4.45Å; K176-L178 PolarHBondContact O-N 2.8Å; L178-Y205 HydrophobicContact CD1-CD2 4.21Å; L178-Y205 HydrophobicContact CD1-CE2 4.09Å; L178-Y205 HydrophobicContact CD2-CE2 4.18Å
179V97.1Very high96.1Very high69 Ų6953.1 Ų53.142%0.41830%0.295SS..  trans-107.1124.9176.6-1780000108G181 E182V179-G181 PolarHBondContact O-N 2.98Å; V179-E182 HydrophobicContact CB-CB 4.28Å; V179-E182 HydrophobicContact CB-CG 4.01Å; V179-E182 HydrophobicContact CG1-CG 4.06Å; V179-E182 PolarHBondContact O-N 3.12Å; V179-E182 VanDerWaalsContact O-N 3.08Å
180R94.3Very high95.9Very high253 Ų25353.9 Ų53.996%0.95530%0.3SS*.THydrogen-bonded Turntrans-60.4129.6-179.1-172.7177.7-176.6179.61.7110.2E182R180-E182 VanDerWaalsContact C-N 3.34Å
181G94.5Very high95.8Very high79 Ų7957.6 Ų57.681%0.81431%0.312SS*.THydrogen-bonded Turntrans90.3-11.3-17800000114.4V179V179-G181 PolarHBondContact O-N 2.98Å
182E96Very high95.9Very high95 Ų9559.9 Ų59.944%0.44432%0.318SS..SBendtrans-92.2126.2171.7-65.6-174.7-175.500110.6V179 R180 N184V179-E182 HydrophobicContact CB-CB 4.28Å; V179-E182 HydrophobicContact CB-CG 4.01Å; V179-E182 HydrophobicContact CG1-CG 4.06Å; V179-E182 PolarHBondContact O-N 3.12Å; V179-E182 VanDerWaalsContact O-N 3.08Å; R180-E182 VanDerWaalsContact C-N 3.34Å; E182-N184 PolarHBondContact O-ND2 2.62Å
183P96.1Very high96Very high94 Ų9460.4 Ų60.461%0.6132%0.32SS*.  trans-69.8150.7179.929.3-34.8000111.8V203P183-V203 CarbonylContact C-O 3.44Å; P183-V203 HydrophobicContact CB-CB 4.07Å; P183-V203 HydrophobicContact CB-CG2 4.01Å
184N96.6Very high96.2Very high9 Ų959.9 Ų59.95%0.04831%0.309CS..  trans-129.7149.9179.9-57.1-81000110.8K176 E182 S186 V203 Y205K176-N184 WeakPolarHBondContact CD-OD1 3.48Å; K176-N184 WeakPolarHBondContact CE-OD1 3.43Å; K176-N184 PolarHBondContact NZ-OD1 3.21Å; E182-N184 PolarHBondContact O-ND2 2.62Å; N184-S186 PolarHBondContact O-N 3.15Å; N184-V203 WeakPolarHBondContact CB-O 3.36Å; N184-V203 PolarHBondContact N-O 3.1Å; N184-V203 PolarHBondContact ND2-O 3.38Å; N184-V203 WeakPolarHBondContact O-CA 3.46Å; N184-V203 VanDerWaalsContact O-CB 3.31Å; N184-V203 WeakPolarHBondContact O-CB 3.35Å; N184-V203 WeakPolarHBondContact O-CG1 3.43Å; N184-Y205 HydrophobicContact CB-CD1 4.49Å; N184-Y205 HydrophobicContact CB-CE1 3.58Å; N184-Y205 HydrophobicContact CB-CE2 4.36Å; N184-Y205 VanDerWaalsContact CB-CZ 3.49Å; N184-Y205 VanDerWaalsContact CB-OH 3.24Å; N184-Y205 WeakPolarHBondContact CB-OH 3.44Å
185V95.6Very high96.3Very high92 Ų9259.3 Ų59.356%0.55831%0.305SS*.  trans-64.2124.2177.11780000110.2Y205V185-Y205 PolarHBondContact O-OH 2.9Å
186S93.9Very high96.3Very high31 Ų3159.3 Ų59.322%0.21731%0.305CS..SBendtrans-77.8-33.1-179.958.70000113.4N184 I188 A202N184-S186 PolarHBondContact O-N 3.15Å; S186-I188 PolarHBondContact O-N 3.01Å; S186-A202 WeakPolarHBondContact CB-O 3.07Å
187Y94.7Very high96.3Very high138 Ų13858.1 Ų58.154%0.54130%0.299SS..SBendtrans-76.366.5176.5-164.3-103.2000111.8
188I93.1Very high96.3Very high30 Ų3055.5 Ų55.515%0.15428%0.283CS..  trans-130.4174.4178.7-160.955.6000109.6R151 S186 R194 L198R151-I188 HydrophobicContact CB-CG1 3.71Å; R151-I188 HydrophobicContact CB-CG2 4.34Å; S186-I188 PolarHBondContact O-N 3.01Å; I188-R194 PolarHBondContact O-NE 2.94Å; I188-R194 PolarHBondContact O-NH2 2.96Å; I188-L198 HydrophobicContact CG2-CD1 3.93Å; I188-L198 HydrophobicContact CG2-CD2 4.2Å
189C94.4Very high96.1Very high9 Ų955 Ų556%0.06128%0.28CS..SBendtrans65.5145.4-174.1-1680000114R151 R194 L198R151-C189 WeakPolarHBondContact O-CA 3.43Å; R151-C189 WeakPolarHBondContact O-CB 3.31Å; R151-C189 PolarHBondContact O-N 3.17Å; R151-C189 VanDerWaalsContact O-N 3.12Å; C189-R194 HydrophobicContact CB-CB 4.46Å; C189-R194 PolarHBondContact O-NE 2.92Å; C189-R194 PolarHBondContact O-NH2 3.25Å; C189-L198 HydrophobicContact CB-CD1 4.26Å
190S95.3Very high95.9Very high17 Ų1751.9 Ų51.912%0.11926%0.262CS..  trans-67.2135.1173-630000110.9D152 K154 Y192 Y193 R194D152-S190 WeakPolarHBondContact OD1-CB 3.49Å; D152-S190 PolarHBondContact OD1-N 3.39Å; D152-S190 PolarHBondContact OD1-OG 3.43Å; K154-S190 WeakPolarHBondContact CD-OG 3.34Å; K154-S190 PolarHBondContact NZ-OG 2.99Å; S190-Y192 PolarHBondContact O-N 2.84Å; S190-Y193 CarbonylContact O-C 3.47Å; S190-Y193 PolarHBondContact O-N 2.89Å; S190-R194 PolarHBondContact O-N 2.7Å
191R96.7Very high95.9Very high94 Ų9441.3 Ų41.336%0.35523%0.231SC..G310 helixtrans-48-50.9-163.4-167.9-170.2-64.7150.5-6115.4Y193 R194 G230 E231 Q236R191-Y193 PolarHBondContact O-N 2.88Å; R191-Y193 VanDerWaalsContact O-N 3.13Å; R191-R194 VanDerWaalsContact O-CB 3.27Å; R191-R194 WeakPolarHBondContact O-CB 3.21Å; R191-R194 PolarHBondContact O-N 2.6Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R191-G230 WeakPolarHBondContact CD-O 3.39Å; R191-G230 PolarHBondContact NH1-O 3.3Å; R191-E231 VanDerWaalsContact NH1-C 3.31Å; R191-E231 PolarHBondContact NH1-O 2.84Å; R191-E231 PolarHBondContact NH2-O 2.88Å; R191-Q236 HydrophobicContact CG-CB 4.22Å; R191-Q236 HydrophobicContact CG-CG 4.25Å; R191-Q236 PolarHBondContact O-NE2 3.4Å; R191-Q236 PolarHBondContact O-OE1 2.96Å
192Y98.4Very high95.9Very high84 Ų8437.6 Ų37.633%0.32919%0.192SC..G310 helixtrans-65.5-17.7-175.9-61.9-9.6000114.1S190 P226 P229 G230S190-Y192 PolarHBondContact O-N 2.84Å; Y192-P226 HydrophobicContact CD2-CB 3.81Å; Y192-P226 HydrophobicContact CD2-CG 3.83Å; Y192-P226 HydrophobicContact CE2-CB 4.39Å; Y192-P226 HydrophobicContact CE2-CG 4.14Å; Y192-P226 HydrophobicContact CG-CB 4.44Å; Y192-P229 HydrophobicContact CE1-CB 4.31Å; Y192-P229 HydrophobicContact CE2-CB 4.34Å; Y192-G230 WeakPolarHBondContact CE1-O 3.42Å
193Y98.7Very high96Very high11 Ų1136.1 Ų36.14%0.04319%0.19CC..G310 helixtrans-1102.9-178.4-47.1-80.3000111.3I153 K154 P155 S190 R191 A195 S213 C216 V217 E220I153-Y193 WeakPolarHBondContact O-CB 3.41Å; K154-Y193 HydrophobicContact CB-CD1 4.47Å; K154-Y193 HydrophobicContact CB-CD2 3.49Å; K154-Y193 VanDerWaalsContact CB-CD2 3.49Å; K154-Y193 HydrophobicContact CB-CE2 3.55Å; K154-Y193 HydrophobicContact CB-CG 4Å; P155-Y193 VanDerWaalsContact CD-CE1 3.42Å; P155-Y193 WeakPolarHBondContact CD-OH 3.31Å; P155-Y193 HydrophobicContact CG-CE1 4.06Å; S190-Y193 CarbonylContact O-C 3.47Å; S190-Y193 PolarHBondContact O-N 2.89Å; R191-Y193 PolarHBondContact O-N 2.88Å; R191-Y193 VanDerWaalsContact O-N 3.13Å; Y193-A195 PolarHBondContact O-N 3.21Å; Y193-S213 PolarHBondContact O-OG 3.34Å; Y193-C216 HydrophobicContact CD1-CB 3.76Å; Y193-C216 HydrophobicContact CE1-CB 4.49Å; Y193-V217 HydrophobicContact CD1-CG2 4.15Å; Y193-V217 HydrophobicContact CE1-CG2 4.22Å; Y193-E220 VanDerWaalsContact CE1-OE2 3.24Å; Y193-E220 WeakPolarHBondContact CE1-OE2 3.37Å; Y193-E220 VanDerWaalsContact CZ-OE2 3.32Å; Y193-E220 PolarHBondContact OH-OE2 3.28Å
194R98.4Very high96Very high20 Ų2036.4 Ų36.48%0.07519%0.186CC..  trans-72.9128-175.6-173.5175.6-67.4163.7-1110.6I188 C189 S190 R191 L198 I199 W212I188-R194 PolarHBondContact O-NE 2.94Å; I188-R194 PolarHBondContact O-NH2 2.96Å; C189-R194 HydrophobicContact CB-CB 4.46Å; C189-R194 PolarHBondContact O-NE 2.92Å; C189-R194 PolarHBondContact O-NH2 3.25Å; S190-R194 PolarHBondContact O-N 2.7Å; R191-R194 VanDerWaalsContact O-CB 3.27Å; R191-R194 WeakPolarHBondContact O-CB 3.21Å; R191-R194 PolarHBondContact O-N 2.6Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R194-L198 HydrophobicContact CG-CB 3.74Å; R194-L198 HydrophobicContact CG-CD1 3.99Å; R194-I199 HydrophobicContact CG-CG1 4.07Å; R194-W212 PolarHBondContact O-NE1 3.11Å; R194-W212 VanDerWaalsContact O-NE1 3.16Å
195A98.5Very high96Very high0 Ų036.6 Ų36.60%019%0.187CC..  trans-66.6145.2176.300000111.5Y193 E197 L198 I199 I209 W212Y193-A195 PolarHBondContact O-N 3.21Å; A195-E197 VanDerWaalsContact C-N 3.3Å; A195-E197 HydrophobicContact CB-CG 4.38Å; A195-E197 VanDerWaalsContact CB-OE2 3.31Å; A195-E197 WeakPolarHBondContact CB-OE2 3.31Å; A195-E197 PolarHBondContact O-N 3.35Å; A195-L198 HydrophobicContact CB-CD1 4.47Å; A195-L198 WeakPolarHBondContact O-CB 3.34Å; A195-L198 PolarHBondContact O-N 3.27Å; A195-I199 PolarHBondContact O-N 3.4Å; A195-I209 HydrophobicContact CB-CB 3.94Å; A195-I209 HydrophobicContact CB-CG2 3.86Å; A195-W212 HydrophobicContact CB-CB 3.87Å; A195-W212 HydrophobicContact CB-CD2 4.43Å; A195-W212 HydrophobicContact CB-CG 3.77Å
196P97.5Very high96.1Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-62-34.9-173.325.6-35.5000112.6L198 I199 F200 W212 I240 M255 Y294P196-L198 PolarHBondContact O-N 2.83Å; P196-I199 CarbonylContact O-C 3.34Å; P196-I199 WeakPolarHBondContact O-CA 3.43Å; P196-I199 WeakPolarHBondContact O-CB 3.5Å; P196-I199 PolarHBondContact O-N 3.2Å; P196-F200 HydrophobicContact CB-CD2 4.48Å; P196-F200 WeakPolarHBondContact O-CD2 3.4Å; P196-F200 PolarHBondContact O-N 3.09Å; P196-W212 HydrophobicContact CG-CE3 4.25Å; P196-W212 HydrophobicContact CG-CH2 3.99Å; P196-W212 HydrophobicContact CG-CZ2 4.34Å; P196-W212 HydrophobicContact CG-CZ3 3.94Å; P196-I240 HydrophobicContact CB-CD1 4.43Å; P196-M255 HydrophobicContact CB-SD 3.56Å; P196-M255 VanDerWaalsContact CB-SD 3.56Å; P196-M255 HydrophobicContact CG-SD 3.6Å; P196-Y294 HydrophobicContact CB-CD1 4.07Å; P196-Y294 HydrophobicContact CB-CE1 4.27Å; P196-Y294 HydrophobicContact CG-CD1 3.9Å; P196-Y294 HydrophobicContact CG-CE1 4.47Å
197E97.3Very high96.4Very high2 Ų235.2 Ų35.21%0.00918%0.177CC..Hα-helixtrans-57.6-33.5174.162-88.8-145.200113.3A195 F200 G201 A202 I209 M255 P296 R299A195-E197 VanDerWaalsContact C-N 3.3Å; A195-E197 HydrophobicContact CB-CG 4.38Å; A195-E197 VanDerWaalsContact CB-OE2 3.31Å; A195-E197 WeakPolarHBondContact CB-OE2 3.31Å; A195-E197 PolarHBondContact O-N 3.35Å; E197-F200 CarbonylContact O-C 3.5Å; E197-F200 PolarHBondContact O-N 2.85Å; E197-G201 PolarHBondContact O-N 2.83Å; E197-A202 HydrophobicContact CB-CB 4.11Å; E197-A202 WeakPolarHBondContact O-CB 3.47Å; E197-A202 PolarHBondContact O-N 3.02Å; E197-I209 HydrophobicContact CG-CG2 4.07Å; E197-I209 WeakPolarHBondContact OE1-CG2 3.14Å; E197-M255 HydrophobicContact CB-CB 3.86Å; E197-M255 HydrophobicContact CB-CG 4.12Å; E197-M255 WeakPolarHBondContact CB-O 3.14Å; E197-P296 HydrophobicContact CG-CG 4.42Å; E197-R299 IonicContact OE1-CZ 2.77Å; E197-R299 IonicContact OE1-NH1 3.75Å; E197-R299 PolarHBondContact OE1-NH1 3.05Å; E197-R299 IonicContact OE1-NH2 3.7Å; E197-R299 PolarHBondContact OE1-NH2 2.96Å; E197-R299 IonicContact OE2-CZ 2.72Å; E197-R299 IonicContact OE2-NH1 3.73Å; E197-R299 IonicContact OE2-NH2 3.27Å; E197-R299 PolarHBondContact OE2-NH2 2.92Å
198L96.9Very high96.5Very high7 Ų729 Ų294%0.03715%0.153CC..Hα-helixtrans-72.3-33.8174.6-62.4177.2000111.5I188 C189 R194 A195 P196 F200 G201 Y205 I209I188-L198 HydrophobicContact CG2-CD1 3.93Å; I188-L198 HydrophobicContact CG2-CD2 4.2Å; C189-L198 HydrophobicContact CB-CD1 4.26Å; R194-L198 HydrophobicContact CG-CB 3.74Å; R194-L198 HydrophobicContact CG-CD1 3.99Å; A195-L198 HydrophobicContact CB-CD1 4.47Å; A195-L198 WeakPolarHBondContact O-CB 3.34Å; A195-L198 PolarHBondContact O-N 3.27Å; P196-L198 PolarHBondContact O-N 2.83Å; L198-F200 VanDerWaalsContact C-N 3.32Å; L198-G201 PolarHBondContact O-N 3.27Å; L198-G201 VanDerWaalsContact O-N 3.12Å; L198-Y205 HydrophobicContact CD2-CD1 3.3Å; L198-Y205 HydrophobicContact CD2-CD2 4.28Å; L198-Y205 HydrophobicContact CD2-CE1 3.53Å; L198-Y205 HydrophobicContact CD2-CE2 4.5Å; L198-Y205 HydrophobicContact CD2-CG 3.71Å; L198-I209 HydrophobicContact CD1-CB 4.25Å; L198-I209 HydrophobicContact CD1-CD1 3.93Å; L198-I209 HydrophobicContact CD1-CG2 4.14Å; L198-I209 HydrophobicContact CD2-CD1 4.49Å; L198-I209 HydrophobicContact CD2-CG2 4.33Å; L198-I209 HydrophobicContact CG-CG2 4.06Å
199I94.8Very high96.8Very high20 Ų2027.6 Ų27.610%0.10315%0.146CC..Hα-helixtrans-68.3-37.4174.2-52.9172.9000110.1R194 A195 P196 G201 G233 Q236 L237 I240R194-I199 HydrophobicContact CG-CG1 4.07Å; A195-I199 PolarHBondContact O-N 3.4Å; P196-I199 CarbonylContact O-C 3.34Å; P196-I199 WeakPolarHBondContact O-CA 3.43Å; P196-I199 WeakPolarHBondContact O-CB 3.5Å; P196-I199 PolarHBondContact O-N 3.2Å; I199-G201 PolarHBondContact O-N 3.21Å; I199-G233 WeakPolarHBondContact CG2-O 3.5Å; I199-Q236 HydrophobicContact CD1-CB 4.04Å; I199-Q236 HydrophobicContact CD1-CG 3.56Å; I199-L237 HydrophobicContact CG2-CB 4.2Å; I199-I240 HydrophobicContact CD1-CD1 3.8Å
200F92.9Very high97Very high5 Ų527.2 Ų27.22%0.02214%0.143CC..THydrogen-bonded Turntrans-72.40.6171-75.5-68.4000113.7P196 E197 L198 L237 M255 N256 Y259 F264P196-F200 HydrophobicContact CB-CD2 4.48Å; P196-F200 WeakPolarHBondContact O-CD2 3.4Å; P196-F200 PolarHBondContact O-N 3.09Å; E197-F200 CarbonylContact O-C 3.5Å; E197-F200 PolarHBondContact O-N 2.85Å; L198-F200 VanDerWaalsContact C-N 3.32Å; F200-L237 HydrophobicContact CE1-CD2 4.15Å; F200-L237 HydrophobicContact CE2-CD1 3.88Å; F200-L237 HydrophobicContact CE2-CD2 4.3Å; F200-L237 HydrophobicContact CZ-CD1 4.03Å; F200-L237 HydrophobicContact CZ-CD2 3.73Å; F200-M255 HydrophobicContact CD2-CB 4.41Å; F200-M255 HydrophobicContact CD2-CE 3.67Å; F200-M255 HydrophobicContact CD2-SD 3.81Å; F200-M255 HydrophobicContact CE2-CE 3.36Å; F200-M255 HydrophobicContact CE2-SD 3.93Å; F200-M255 HydrophobicContact CZ-CE 4.21Å; F200-N256 HydrophobicContact CB-CB 4.14Å; F200-N256 PolarHBondContact O-ND2 3.47Å; F200-Y259 AromaticContact CD1-CD1 3.81Å; F200-Y259 HydrophobicContact CD1-CD1 3.81Å; F200-Y259 HydrophobicContact CD1-CD2 4.18Å; F200-Y259 AromaticContact CD1-CE1 3.35Å; F200-Y259 HydrophobicContact CD1-CE1 3.35Å; F200-Y259 AromaticContact CD1-CE2 3.84Å; F200-Y259 HydrophobicContact CD1-CE2 3.84Å; F200-Y259 HydrophobicContact CD1-CG 4.13Å; F200-Y259 AromaticContact CD1-CZ 3.33Å; F200-Y259 WeakPolarHBondContact CD1-OH 3.43Å; F200-Y259 HydrophobicContact CE1-CD1 4.05Å; F200-Y259 AromaticContact CE1-CE1 3.37Å; F200-Y259 HydrophobicContact CE1-CE1 3.37Å; F200-Y259 AromaticContact CE1-CZ 3.66Å; F200-F264 HydrophobicContact CE1-CE2 4.23Å; F200-F264 HydrophobicContact CE1-CZ 4.23Å; F200-F264 HydrophobicContact CZ-CE2 4.1Å; F200-F264 HydrophobicContact CZ-CZ 4.17Å
201G93.5Very high97.2Very high30 Ų3026.4 Ų26.431%0.30914%0.138SC..THydrogen-bonded Turntrans7818.817300000115E197 L198 I199E197-G201 PolarHBondContact O-N 2.83Å; L198-G201 PolarHBondContact O-N 3.27Å; L198-G201 VanDerWaalsContact O-N 3.12Å; I199-G201 PolarHBondContact O-N 3.21Å
202A95.5Very high97.3Very high1 Ų121.9 Ų21.91%0.00812%0.121CC..  trans-58.7139.1177.200000111.5S186 E197 Y205 M255 N256S186-A202 WeakPolarHBondContact CB-O 3.07Å; E197-A202 HydrophobicContact CB-CB 4.11Å; E197-A202 WeakPolarHBondContact O-CB 3.47Å; E197-A202 PolarHBondContact O-N 3.02Å; A202-Y205 WeakPolarHBondContact O-CD1 3.24Å; A202-M255 VanDerWaalsContact CB-O 3.31Å; A202-M255 WeakPolarHBondContact CB-O 3.41Å; A202-N256 HydrophobicContact CB-CB 4.22Å
203V96.6Very high97.3Very high65 Ų6518 Ų1839%0.39411%0.106SC..SBendtrans-111.5-13.4178.1-61.40000112.7P183 N184P183-V203 CarbonylContact C-O 3.44Å; P183-V203 HydrophobicContact CB-CB 4.07Å; P183-V203 HydrophobicContact CB-CG2 4.01Å; N184-V203 WeakPolarHBondContact CB-O 3.36Å; N184-V203 PolarHBondContact N-O 3.1Å; N184-V203 PolarHBondContact ND2-O 3.38Å; N184-V203 WeakPolarHBondContact O-CA 3.46Å; N184-V203 VanDerWaalsContact O-CB 3.31Å; N184-V203 WeakPolarHBondContact O-CB 3.35Å; N184-V203 WeakPolarHBondContact O-CG1 3.43Å
204D95.8Very high97.3Very high99 Ų9917.4 Ų17.453%0.52910%0.104SC..SBendtrans-105.119.1-178.763.6-30.7000112.8
205Y97.6Very high97.4Very high14 Ų1416.5 Ų16.56%0.05510%0.1CC..  trans-59.4158.4177.164.6-100.9000112.6R151 L178 N184 V185 L198 A202 I209R151-Y205 VanDerWaalsContact CD-OH 3.23Å; R151-Y205 WeakPolarHBondContact CD-OH 3.41Å; R151-Y205 PolarHBondContact NH1-OH 3.12Å; L178-Y205 HydrophobicContact CD1-CD2 4.21Å; L178-Y205 HydrophobicContact CD1-CE2 4.09Å; L178-Y205 HydrophobicContact CD2-CE2 4.18Å; N184-Y205 HydrophobicContact CB-CD1 4.49Å; N184-Y205 HydrophobicContact CB-CE1 3.58Å; N184-Y205 HydrophobicContact CB-CE2 4.36Å; N184-Y205 VanDerWaalsContact CB-CZ 3.49Å; N184-Y205 VanDerWaalsContact CB-OH 3.24Å; N184-Y205 WeakPolarHBondContact CB-OH 3.44Å; V185-Y205 PolarHBondContact O-OH 2.9Å; L198-Y205 HydrophobicContact CD2-CD1 3.3Å; L198-Y205 HydrophobicContact CD2-CD2 4.28Å; L198-Y205 HydrophobicContact CD2-CE1 3.53Å; L198-Y205 HydrophobicContact CD2-CE2 4.5Å; L198-Y205 HydrophobicContact CD2-CG 3.71Å; A202-Y205 WeakPolarHBondContact O-CD1 3.24Å; Y205-I209 HydrophobicContact CD2-CD1 3.69Å; Y205-I209 HydrophobicContact CD2-CG1 4.27Å; Y205-I209 HydrophobicContact CD2-CG2 4.03Å; Y205-I209 HydrophobicContact CE2-CD1 3.57Å; Y205-I209 HydrophobicContact CG-CG2 4.24Å
206T98.2Very high97.4Very high73 Ų7316.5 Ų16.545%0.44810%0.1SC..  trans-110.2-176.9-178.671.90000112Q208 I209T206-Q208 PolarHBondContact O-N 3.05Å; T206-Q208 WeakPolarHBondContact OG1-CB 3.49Å; T206-Q208 WeakPolarHBondContact OG1-CG 3.34Å; T206-Q208 PolarHBondContact OG1-N 3.15Å; T206-I209 PolarHBondContact O-N 3.08Å
207C98.5Very high97.5Very high20 Ų2016.5 Ų16.514%0.13510%0.1CC..THydrogen-bonded Turntrans-57-15.3172.3-67.10000114.1H144 I209 D210H144-C207 HydrophobicContact CB-CB 4.35Å; H144-C207 PolarHBondContact CE1-O 3.35Å; H144-C207 VanDerWaalsContact CE1-O 3.25Å; C207-I209 PolarHBondContact O-N 3.33Å; C207-I209 VanDerWaalsContact O-N 3.08Å; C207-D210 WeakPolarHBondContact O-CB 3.5Å; C207-D210 PolarHBondContact O-N 3.35Å
208Q98.7Very high97.5Very high8 Ų816.4 Ų16.44%0.03710%0.1CC..Hα-helixtrans-63.7-13.1179.2-63.6-62.677.900114.1T206 D210 V211 W212 P296 R299T206-Q208 PolarHBondContact O-N 3.05Å; T206-Q208 WeakPolarHBondContact OG1-CB 3.49Å; T206-Q208 WeakPolarHBondContact OG1-CG 3.34Å; T206-Q208 PolarHBondContact OG1-N 3.15Å; Q208-D210 VanDerWaalsContact C-N 3.26Å; Q208-D210 PolarHBondContact O-N 3.16Å; Q208-V211 PolarHBondContact O-N 3.06Å; Q208-V211 VanDerWaalsContact OE1-CG2 3.29Å; Q208-W212 PolarHBondContact O-N 3.2Å; Q208-W212 VanDerWaalsContact O-N 3.14Å; Q208-P296 HydrophobicContact CB-CB 4.16Å; Q208-P296 WeakPolarHBondContact CG-O 3.48Å; Q208-P296 PolarHBondContact NE2-O 3.15Å; Q208-R299 PolarHBondContact NE2-O 2.95Å; Q208-R299 PolarHBondContact O-NH1 2.87Å
209I98.8Very high97.6Very high1 Ų116.1 Ų16.11%0.00510%0.098CC..Hα-helixtrans-64.8-31.7169.365.5168.5000112.1C149 R151 A195 E197 L198 Y205 T206 C207 S213C149-I209 VanDerWaalsContact SG-CG1 3.53Å; R151-I209 HydrophobicContact CB-CD1 4.24Å; R151-I209 HydrophobicContact CG-CD1 3.99Å; A195-I209 HydrophobicContact CB-CB 3.94Å; A195-I209 HydrophobicContact CB-CG2 3.86Å; E197-I209 HydrophobicContact CG-CG2 4.07Å; E197-I209 WeakPolarHBondContact OE1-CG2 3.14Å; L198-I209 HydrophobicContact CD1-CB 4.25Å; L198-I209 HydrophobicContact CD1-CD1 3.93Å; L198-I209 HydrophobicContact CD1-CG2 4.14Å; L198-I209 HydrophobicContact CD2-CD1 4.49Å; L198-I209 HydrophobicContact CD2-CG2 4.33Å; L198-I209 HydrophobicContact CG-CG2 4.06Å; Y205-I209 HydrophobicContact CD2-CD1 3.69Å; Y205-I209 HydrophobicContact CD2-CG1 4.27Å; Y205-I209 HydrophobicContact CD2-CG2 4.03Å; Y205-I209 HydrophobicContact CE2-CD1 3.57Å; Y205-I209 HydrophobicContact CG-CG2 4.24Å; T206-I209 PolarHBondContact O-N 3.08Å; C207-I209 PolarHBondContact O-N 3.33Å; C207-I209 VanDerWaalsContact O-N 3.08Å; I209-S213 WeakPolarHBondContact O-CB 3.42Å; I209-S213 PolarHBondContact O-N 3.35Å; I209-S213 VanDerWaalsContact O-N 3.08Å; I209-S213 PolarHBondContact O-OG 3.04Å
210D98.9Very high97.8Very high0 Ų015.8 Ų15.80%010%0.096CC..Hα-helixtrans-72.7-33.2176.5-67.5-31.7000110.8L140 H144 C149 H150 R151 I153 C207 Q208 S213 A214L140-D210 HydrophobicContact CD1-CB 4.3Å; L140-D210 HydrophobicContact CD2-CB 3.98Å; H144-D210 IonicContact CD2-OD2 2.71Å; H144-D210 IonicContact CE1-OD2 3.87Å; H144-D210 IonicContact NE2-OD2 2.67Å; H144-D210 PolarHBondContact NE2-OD2 3.06Å; C149-D210 WeakPolarHBondContact CA-OD2 3.31Å; C149-D210 VanDerWaalsContact SG-CG 3.56Å; C149-D210 PolarHBondContact SG-OD2 3.18Å; H150-D210 PolarHBondContact N-OD2 3.41Å; R151-D210 PolarHBondContact N-OD1 3.24Å; I153-D210 HydrophobicContact CG1-CB 4Å; C207-D210 WeakPolarHBondContact O-CB 3.5Å; C207-D210 PolarHBondContact O-N 3.35Å; Q208-D210 VanDerWaalsContact C-N 3.26Å; Q208-D210 PolarHBondContact O-N 3.16Å; D210-S213 WeakPolarHBondContact O-CB 3.38Å; D210-S213 PolarHBondContact O-N 2.69Å; D210-A214 WeakPolarHBondContact O-CB 3.41Å; D210-A214 PolarHBondContact O-N 3.18Å
211V98.9Very high98Very high0 Ų015.9 Ų15.90%010%0.097CC..Hα-helixtrans-65.4-45.1175.4176.60000110.9Q208 S213 A214 G215 L291 R299 L300 P302Q208-V211 PolarHBondContact O-N 3.06Å; Q208-V211 VanDerWaalsContact OE1-CG2 3.29Å; V211-S213 VanDerWaalsContact C-N 3.32Å; V211-S213 PolarHBondContact O-N 3.31Å; V211-A214 PolarHBondContact O-N 2.73Å; V211-G215 PolarHBondContact O-N 3.23Å; V211-L291 HydrophobicContact CG1-CD2 3.48Å; V211-L291 VanDerWaalsContact CG1-CD2 3.48Å; V211-R299 HydrophobicContact CG1-CB 3.87Å; V211-L300 WeakPolarHBondContact CG1-O 3.42Å; V211-P302 HydrophobicContact CG2-CG 4.06Å
212W98.9Very high98.2Very high0 Ų015 Ų150%09%0.085CC..Hα-helixtrans-57.1-47.7171.8173.8-82.6000111.5R194 A195 P196 Q208 A214 G215 C216 F228 I240 L244 L292R194-W212 PolarHBondContact O-NE1 3.11Å; R194-W212 VanDerWaalsContact O-NE1 3.16Å; A195-W212 HydrophobicContact CB-CB 3.87Å; A195-W212 HydrophobicContact CB-CD2 4.43Å; A195-W212 HydrophobicContact CB-CG 3.77Å; P196-W212 HydrophobicContact CG-CE3 4.25Å; P196-W212 HydrophobicContact CG-CH2 3.99Å; P196-W212 HydrophobicContact CG-CZ2 4.34Å; P196-W212 HydrophobicContact CG-CZ3 3.94Å; Q208-W212 PolarHBondContact O-N 3.2Å; Q208-W212 VanDerWaalsContact O-N 3.14Å; W212-A214 VanDerWaalsContact C-N 3.29Å; W212-A214 PolarHBondContact O-N 2.81Å; W212-G215 WeakPolarHBondContact O-CA 3.44Å; W212-G215 PolarHBondContact O-N 3.05Å; W212-C216 PolarHBondContact NE1-SG 3.39Å; W212-C216 VanDerWaalsContact NE1-SG 3.37Å; W212-C216 PolarHBondContact O-N 2.68Å; W212-C216 PolarHBondContact O-SG 3.25Å; W212-C216 VanDerWaalsContact O-SG 3.39Å; W212-F228 HydrophobicContact CH2-CE2 4.27Å; W212-F228 HydrophobicContact CZ2-CD2 4.18Å; W212-F228 AromaticContact CZ2-CE2 3.67Å; W212-F228 HydrophobicContact CZ2-CE2 3.67Å; W212-F228 HydrophobicContact CZ2-CZ 4.41Å; W212-I240 HydrophobicContact CH2-CD1 4.41Å; W212-I240 HydrophobicContact CH2-CG1 4.48Å; W212-I240 HydrophobicContact CH2-CG2 3.82Å; W212-I240 HydrophobicContact CZ2-CD1 3.76Å; W212-I240 HydrophobicContact CZ2-CG1 3.98Å; W212-I240 HydrophobicContact CZ2-CG2 4.17Å; W212-L244 HydrophobicContact CH2-CD1 3.66Å; W212-L244 HydrophobicContact CZ3-CD1 3.95Å; W212-L292 HydrophobicContact CD2-CD2 3.74Å; W212-L292 HydrophobicContact CE3-CB 4.47Å; W212-L292 HydrophobicContact CE3-CD2 3.89Å; W212-L292 HydrophobicContact CG-CD2 4.2Å; W212-L292 HydrophobicContact CH2-CD2 4.37Å; W212-L292 HydrophobicContact CZ2-CD2 4.22Å; W212-L292 HydrophobicContact CZ3-CB 4.19Å; W212-L292 HydrophobicContact CZ3-CD2 4.22Å; W212-L292 WeakPolarHBondContact O-CD2 3.46Å
213S98.9Very high98.2Very high1 Ų116.4 Ų16.41%0.0079%0.092CC..Hα-helixtrans-59.7-41.3179.1-55.50000111.3Y193 I209 D210 V211 C216 V217Y193-S213 PolarHBondContact O-OG 3.34Å; I209-S213 WeakPolarHBondContact O-CB 3.42Å; I209-S213 PolarHBondContact O-N 3.35Å; I209-S213 VanDerWaalsContact O-N 3.08Å; I209-S213 PolarHBondContact O-OG 3.04Å; D210-S213 WeakPolarHBondContact O-CB 3.38Å; D210-S213 PolarHBondContact O-N 2.69Å; V211-S213 VanDerWaalsContact C-N 3.32Å; V211-S213 PolarHBondContact O-N 3.31Å; S213-C216 WeakPolarHBondContact O-CB 3.33Å; S213-C216 PolarHBondContact O-N 3.37Å; S213-V217 WeakPolarHBondContact O-CG2 3.5Å; S213-V217 PolarHBondContact O-N 3.24Å
214A99Very high98.2Very high0 Ų015 Ų150%09%0.091CC..Hα-helixtrans-65.3-37.1173.700000112.4M133 L136 F137 L140 D210 V211 W212 C216 V217 L218M133-A214 HydrophobicContact CE-CB 4.18Å; M133-A214 VanDerWaalsContact CE-O 3.29Å; M133-A214 WeakPolarHBondContact CE-O 3.42Å; L136-A214 HydrophobicContact CD2-CB 3.88Å; L136-A214 HydrophobicContact CG-CB 4.45Å; F137-A214 HydrophobicContact CD1-CB 4.48Å; F137-A214 HydrophobicContact CE1-CB 3.67Å; F137-A214 HydrophobicContact CZ-CB 4.12Å; L140-A214 HydrophobicContact CD1-CB 3.99Å; D210-A214 WeakPolarHBondContact O-CB 3.41Å; D210-A214 PolarHBondContact O-N 3.18Å; V211-A214 PolarHBondContact O-N 2.73Å; W212-A214 VanDerWaalsContact C-N 3.29Å; W212-A214 PolarHBondContact O-N 2.81Å; A214-C216 VanDerWaalsContact C-N 3.32Å; A214-C216 PolarHBondContact O-N 3.08Å; A214-V217 PolarHBondContact O-N 2.97Å; A214-L218 PolarHBondContact O-N 2.9Å
215G98.9Very high98.2Very high0 Ų015.9 Ų15.90%09%0.092CC..Hα-helixtrans-59.2-42170.100000112.6V211 W212 L218 A219V211-G215 PolarHBondContact O-N 3.23Å; W212-G215 WeakPolarHBondContact O-CA 3.44Å; W212-G215 PolarHBondContact O-N 3.05Å; G215-L218 PolarHBondContact O-N 3.37Å; G215-A219 WeakPolarHBondContact O-CB 3.43Å; G215-A219 PolarHBondContact O-N 2.85Å
216C98.9Very high98.2Very high1 Ų116.9 Ų16.91%0.00710%0.1CC..Hα-helixtrans-63.5-41.6174.6-64.90000111.5Y193 W212 S213 A214 A219 E220 I227Y193-C216 HydrophobicContact CD1-CB 3.76Å; Y193-C216 HydrophobicContact CE1-CB 4.49Å; W212-C216 PolarHBondContact NE1-SG 3.39Å; W212-C216 VanDerWaalsContact NE1-SG 3.37Å; W212-C216 PolarHBondContact O-N 2.68Å; W212-C216 PolarHBondContact O-SG 3.25Å; W212-C216 VanDerWaalsContact O-SG 3.39Å; S213-C216 WeakPolarHBondContact O-CB 3.33Å; S213-C216 PolarHBondContact O-N 3.37Å; A214-C216 VanDerWaalsContact C-N 3.32Å; A214-C216 PolarHBondContact O-N 3.08Å; C216-A219 PolarHBondContact O-N 3.02Å; C216-E220 WeakPolarHBondContact O-CB 3.5Å; C216-E220 PolarHBondContact O-N 3.09Å; C216-I227 HydrophobicContact CB-CG2 4.48Å
217V98.9Very high98.2Very high0 Ų014.2 Ų14.20%08%0.083CC..Hα-helixtrans-61.8-47.8174.2174.50000111.1M133 I153 P155 L158 Y193 S213 A214 A219 E220 L221M133-V217 HydrophobicContact SD-CB 4.34Å; M133-V217 HydrophobicContact SD-CG1 3.79Å; I153-V217 HydrophobicContact CG2-CG2 4.38Å; P155-V217 HydrophobicContact CG-CG2 4.2Å; L158-V217 HydrophobicContact CD1-CG1 3.85Å; L158-V217 HydrophobicContact CD1-CG2 4.42Å; Y193-V217 HydrophobicContact CD1-CG2 4.15Å; Y193-V217 HydrophobicContact CE1-CG2 4.22Å; S213-V217 WeakPolarHBondContact O-CG2 3.5Å; S213-V217 PolarHBondContact O-N 3.24Å; A214-V217 PolarHBondContact O-N 2.97Å; V217-A219 PolarHBondContact O-N 3.15Å; V217-E220 PolarHBondContact O-N 3.25Å; V217-L221 HydrophobicContact CG1-CD1 4.08Å; V217-L221 HydrophobicContact CG1-CG 4.39Å; V217-L221 VanDerWaalsContact O-CG 3.29Å; V217-L221 WeakPolarHBondContact O-CG 3.29Å; V217-L221 PolarHBondContact O-N 3.4Å
218L98.9Very high98.2Very high0 Ų013.2 Ų13.20%08%0.076CC..Hα-helixtrans-58.4-48.7177.7172.859.6000110.9V129 M133 A214 G215 E220 L221 L222 L287 V288 L291 F310V129-L218 HydrophobicContact CG1-CD1 3.72Å; M133-L218 HydrophobicContact CE-CB 3.88Å; M133-L218 HydrophobicContact CG-CB 4.19Å; M133-L218 HydrophobicContact CG-CD1 3.86Å; M133-L218 HydrophobicContact SD-CB 4.04Å; A214-L218 PolarHBondContact O-N 2.9Å; G215-L218 PolarHBondContact O-N 3.37Å; L218-E220 VanDerWaalsContact C-N 3.33Å; L218-E220 PolarHBondContact O-N 3.38Å; L218-L221 PolarHBondContact O-N 3.22Å; L218-L222 HydrophobicContact CD1-CD1 3.94Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 4.1Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 3.37Å; L218-L222 VanDerWaalsContact O-N 3.12Å; L218-L287 HydrophobicContact CD2-CB 4.16Å; L218-L287 HydrophobicContact CD2-CD2 3.71Å; L218-L287 HydrophobicContact CD2-CG 3.71Å; L218-V288 HydrophobicContact CB-CG2 4.38Å; L218-V288 HydrophobicContact CD2-CG2 3.54Å; L218-V288 HydrophobicContact CG-CG2 3.62Å; L218-L291 HydrophobicContact CD2-CD1 4.02Å; L218-F310 HydrophobicContact CD1-CE1 4.16Å
219A98.7Very high98.2Very high0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-60.1-42.417800000112.1G215 C216 V217 L221 L222 L223 I227 F276 V288 L292G215-A219 WeakPolarHBondContact O-CB 3.43Å; G215-A219 PolarHBondContact O-N 2.85Å; C216-A219 PolarHBondContact O-N 3.02Å; V217-A219 PolarHBondContact O-N 3.15Å; A219-L221 PolarHBondContact O-N 3.16Å; A219-L222 PolarHBondContact O-N 2.82Å; A219-L223 WeakPolarHBondContact O-CB 3.41Å; A219-L223 WeakPolarHBondContact O-CG 3.48Å; A219-L223 PolarHBondContact O-N 2.75Å; A219-I227 HydrophobicContact CB-CB 3.9Å; A219-I227 HydrophobicContact CB-CD1 3.73Å; A219-I227 HydrophobicContact CB-CG1 4.4Å; A219-I227 HydrophobicContact CB-CG2 3.8Å; A219-F276 HydrophobicContact CB-CE1 4.18Å; A219-F276 HydrophobicContact CB-CZ 4.1Å; A219-V288 HydrophobicContact CB-CG1 4.24Å; A219-V288 HydrophobicContact CB-CG2 4.46Å; A219-L292 HydrophobicContact CB-CD1 4.5Å
220E98.3Very high98Very high14 Ų1415.4 Ų15.47%0.0659%0.091CC..Hα-helixtrans-61.7-41.7176.7176.5171.5166.100112.3Y193 C216 V217 L218 L222 L223 G224 Q225Y193-E220 VanDerWaalsContact CE1-OE2 3.24Å; Y193-E220 WeakPolarHBondContact CE1-OE2 3.37Å; Y193-E220 VanDerWaalsContact CZ-OE2 3.32Å; Y193-E220 PolarHBondContact OH-OE2 3.28Å; C216-E220 WeakPolarHBondContact O-CB 3.5Å; C216-E220 PolarHBondContact O-N 3.09Å; V217-E220 PolarHBondContact O-N 3.25Å; L218-E220 VanDerWaalsContact C-N 3.33Å; L218-E220 PolarHBondContact O-N 3.38Å; E220-L222 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 2.83Å; E220-L223 PolarHBondContact O-N 3.32Å; E220-G224 WeakPolarHBondContact O-CA 3.49Å; E220-G224 PolarHBondContact O-N 2.91Å; E220-Q225 WeakPolarHBondContact CA-O 3.4Å
221L98Very high97.7Very high6 Ų622.9 Ų22.93%0.03113%0.126CC..Hα-helixtrans-64.8-32.7176.8-65.7173.5000112.5V110 A114 I124 V129 M133 V217 L218 A219V110-L221 HydrophobicContact CG1-CD1 4.35Å; V110-L221 HydrophobicContact CG1-CD2 3.57Å; V110-L221 HydrophobicContact CG1-CG 4.42Å; A114-L221 HydrophobicContact CB-CD2 4.22Å; I124-L221 HydrophobicContact CD1-CB 4.43Å; I124-L221 HydrophobicContact CD1-CD2 3.34Å; I124-L221 HydrophobicContact CD1-CG 4.46Å; V129-L221 HydrophobicContact CG1-CB 4.11Å; V129-L221 HydrophobicContact CG1-CD1 4.29Å; V129-L221 HydrophobicContact CG2-CB 4.21Å; M133-L221 HydrophobicContact CG-CD1 4.22Å; M133-L221 HydrophobicContact SD-CD1 4.01Å; V217-L221 HydrophobicContact CG1-CD1 4.08Å; V217-L221 HydrophobicContact CG1-CG 4.39Å; V217-L221 VanDerWaalsContact O-CG 3.29Å; V217-L221 WeakPolarHBondContact O-CG 3.29Å; V217-L221 PolarHBondContact O-N 3.4Å; L218-L221 PolarHBondContact O-N 3.22Å; A219-L221 PolarHBondContact O-N 3.16Å
222L97.5Very high97.3Very high11 Ų1124.2 Ų24.26%0.05814%0.136CC..Hα-helixtrans-79.3-34.3177.9-64.3173.3000112.7L126 V129 L218 A219 E220 F276 V280 A284 V288L126-L222 HydrophobicContact CD1-CD2 4.12Å; V129-L222 HydrophobicContact CG1-CD2 4.19Å; L218-L222 HydrophobicContact CD1-CD1 3.94Å; L218-L222 HydrophobicContact CD1-CG 4.16Å; L218-L222 HydrophobicContact CG-CD1 4.1Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 3.37Å; L218-L222 VanDerWaalsContact O-N 3.12Å; A219-L222 PolarHBondContact O-N 2.82Å; E220-L222 VanDerWaalsContact C-N 3.28Å; E220-L222 PolarHBondContact O-N 2.83Å; L222-F276 HydrophobicContact CB-CD1 3.93Å; L222-F276 HydrophobicContact CB-CE1 3.94Å; L222-F276 HydrophobicContact CD1-CE1 4.2Å; L222-V280 HydrophobicContact CD1-CG1 4.1Å; L222-V280 HydrophobicContact CD2-CG1 4.1Å; L222-V280 HydrophobicContact CG-CG1 4.49Å; L222-A284 HydrophobicContact CD1-CB 3.99Å; L222-A284 HydrophobicContact CD2-CB 4.35Å; L222-V288 HydrophobicContact CD1-CG2 4.01Å
223L95.9Very high96.6Very high32 Ų3225.7 Ų25.717%0.16815%0.151CC..Hα-helixtrans-84.6-30.1-179.9-71.1168.2000113.1A219 E220 Q225 I227 V275 F276A219-L223 WeakPolarHBondContact O-CB 3.41Å; A219-L223 WeakPolarHBondContact O-CG 3.48Å; A219-L223 PolarHBondContact O-N 2.75Å; E220-L223 PolarHBondContact O-N 3.32Å; L223-Q225 VanDerWaalsContact C-N 3.27Å; L223-Q225 HydrophobicContact CB-CG 4.31Å; L223-I227 HydrophobicContact CD1-CB 3.78Å; L223-I227 HydrophobicContact CD1-CD1 4.28Å; L223-I227 HydrophobicContact CD1-CG1 3.96Å; L223-V275 WeakPolarHBondContact CD2-O 3.43Å; L223-F276 HydrophobicContact CD1-CE1 4.14Å; L223-F276 HydrophobicContact CD2-CD1 3.71Å; L223-F276 HydrophobicContact CD2-CE1 4.1Å; L223-F276 HydrophobicContact CG-CD1 3.82Å; L223-F276 HydrophobicContact CG-CE1 3.76Å
224G95.7Very high96.1Very high36 Ų3626.2 Ų26.237%0.37115%0.154SC..SBendtrans81.82.8-168.600000114.1E220E220-G224 WeakPolarHBondContact O-CA 3.49Å; E220-G224 PolarHBondContact O-N 2.91Å
225Q96.2Very high95.8Very high116 Ų11626.9 Ų26.954%0.54216%0.157SC..SBendtrans-151.5156.8177.365.2-177.1-1.700110.5E220 L223 I227E220-Q225 WeakPolarHBondContact CA-O 3.4Å; L223-Q225 VanDerWaalsContact C-N 3.27Å; L223-Q225 HydrophobicContact CB-CG 4.31Å; Q225-I227 PolarHBondContact O-N 3.08Å
226P98Very high95.6Very high35 Ų3526.9 Ų26.923%0.22716%0.158CC..  trans-55.1135.8177.5-25.234.3000112.1Y192Y192-P226 HydrophobicContact CD2-CB 3.81Å; Y192-P226 HydrophobicContact CD2-CG 3.83Å; Y192-P226 HydrophobicContact CE2-CB 4.39Å; Y192-P226 HydrophobicContact CE2-CG 4.14Å; Y192-P226 HydrophobicContact CG-CB 4.44Å
227I98.3Very high95.4Very high17 Ų1726.9 Ų26.99%0.08716%0.158CC..SBendtrans-72.9-30.6-179.8-174.7166.7000112.8C216 A219 L223 Q225 W272 V275 L292C216-I227 HydrophobicContact CB-CG2 4.48Å; A219-I227 HydrophobicContact CB-CB 3.9Å; A219-I227 HydrophobicContact CB-CD1 3.73Å; A219-I227 HydrophobicContact CB-CG1 4.4Å; A219-I227 HydrophobicContact CB-CG2 3.8Å; L223-I227 HydrophobicContact CD1-CB 3.78Å; L223-I227 HydrophobicContact CD1-CD1 4.28Å; L223-I227 HydrophobicContact CD1-CG1 3.96Å; Q225-I227 PolarHBondContact O-N 3.08Å; I227-W272 HydrophobicContact CD1-CH2 4.39Å; I227-W272 HydrophobicContact CD1-CZ3 3.9Å; I227-V275 HydrophobicContact CD1-CG1 4.13Å; I227-L292 HydrophobicContact CD1-CD1 4.28Å
228F98.4Very high95.2Very high0 Ų026.9 Ų26.90%016%0.158CC..  trans-127.574.8-178.2-52.2-51.7000111.9W212 G230 Q236 E239 I240 V243 L292W212-F228 HydrophobicContact CH2-CE2 4.27Å; W212-F228 HydrophobicContact CZ2-CD2 4.18Å; W212-F228 AromaticContact CZ2-CE2 3.67Å; W212-F228 HydrophobicContact CZ2-CE2 3.67Å; W212-F228 HydrophobicContact CZ2-CZ 4.41Å; F228-G230 PolarHBondContact O-N 3.45Å; F228-G230 VanDerWaalsContact O-N 3.15Å; F228-Q236 PolarHBondContact O-NE2 3.39Å; F228-Q236 PolarHBondContact O-OE1 2.93Å; F228-E239 HydrophobicContact CB-CB 4.08Å; F228-E239 HydrophobicContact CD1-CB 4.32Å; F228-I240 HydrophobicContact CB-CG1 4.3Å; F228-I240 HydrophobicContact CD1-CG1 3.99Å; F228-I240 HydrophobicContact CD2-CG1 3.92Å; F228-I240 HydrophobicContact CE1-CG1 4.27Å; F228-I240 HydrophobicContact CE2-CG1 4.22Å; F228-I240 HydrophobicContact CG-CG1 3.82Å; F228-I240 HydrophobicContact CZ-CG1 4.38Å; F228-V243 HydrophobicContact CD1-CG2 4.39Å; F228-V243 HydrophobicContact CE1-CB 3.86Å; F228-V243 HydrophobicContact CE1-CG1 4.45Å; F228-V243 HydrophobicContact CE1-CG2 3.72Å; F228-L292 HydrophobicContact CE2-CD1 3.9Å; F228-L292 HydrophobicContact CE2-CD2 4.29Å; F228-L292 HydrophobicContact CZ-CD1 4.02Å
229P97.5Very high95.1Very high55 Ų5528.5 Ų28.536%0.35717%0.165SC..  trans-85.871.8-176.335-35.5000113.1Y192Y192-P229 HydrophobicContact CE1-CB 4.31Å; Y192-P229 HydrophobicContact CE2-CB 4.34Å
230G95.5Very high95Very high0 Ų028.5 Ų28.50%017%0.165CC..  trans-80.2136.9179.600000115.1R191 Y192 F228 Q236R191-G230 WeakPolarHBondContact CD-O 3.39Å; R191-G230 PolarHBondContact NH1-O 3.3Å; Y192-G230 WeakPolarHBondContact CE1-O 3.42Å; F228-G230 PolarHBondContact O-N 3.45Å; F228-G230 VanDerWaalsContact O-N 3.15Å; G230-Q236 VanDerWaalsContact N-OE1 3.16Å
231E92.5Very high94.9Very high156 Ų15627.9 Ų27.973%0.72916%0.162SC*.SBendtrans-79-24.5178.6-63.2-171.216900113.8R191R191-E231 VanDerWaalsContact NH1-C 3.31Å; R191-E231 PolarHBondContact NH1-O 2.84Å; R191-E231 PolarHBondContact NH2-O 2.88Å
232S91.1Very high94.7Very high29 Ų2928.4 Ų28.420%0.20316%0.164CC..SBendtrans-134.1177.4176.568.10000110.9V234 D235 Q236S232-V234 PolarHBondContact O-N 3.47Å; S232-V234 WeakPolarHBondContact OG-CB 3.42Å; S232-V234 PolarHBondContact OG-N 3.39Å; S232-D235 WeakPolarHBondContact CB-OD2 3.38Å; S232-D235 PolarHBondContact N-OD2 3.21Å; S232-D235 PolarHBondContact OG-N 2.9Å; S232-D235 PolarHBondContact OG-OD2 3.07Å; S232-Q236 WeakPolarHBondContact O-CB 3.32Å; S232-Q236 PolarHBondContact O-N 3.47Å
233G84.5Confident94.7Very high31 Ų3128.3 Ų28.332%0.3216%0.164SC..Hα-helixtrans-61.9-34.4171.100000112.2I199 Q236 L237I199-G233 WeakPolarHBondContact CG2-O 3.5Å; G233-Q236 WeakPolarHBondContact O-CB 3.27Å; G233-L237 PolarHBondContact O-N 3.49Å
234V87.4Confident94.8Very high11 Ų1128.1 Ų28.17%0.06716%0.163CC..Hα-helixtrans-66.3-53.8175.7-176.90000110.8S232 Q236 L237 V238 C449 H450 L453S232-V234 PolarHBondContact O-N 3.47Å; S232-V234 WeakPolarHBondContact OG-CB 3.42Å; S232-V234 PolarHBondContact OG-N 3.39Å; V234-Q236 PolarHBondContact O-N 2.77Å; V234-L237 WeakPolarHBondContact O-CB 3.42Å; V234-L237 PolarHBondContact O-N 3.23Å; V234-L237 VanDerWaalsContact O-N 3.07Å; V234-V238 WeakPolarHBondContact O-CG2 3.31Å; V234-V238 PolarHBondContact O-N 3.25Å; V234-C449 HydrophobicContact CG1-CB 3.26Å; V234-H450 HydrophobicContact CG1-CB 4.29Å; V234-L453 HydrophobicContact CB-CD1 4.12Å; V234-L453 HydrophobicContact CG1-CD1 4.43Å; V234-L453 HydrophobicContact CG2-CB 3.84Å; V234-L453 HydrophobicContact CG2-CD1 3.62Å; V234-L453 HydrophobicContact CG2-CG 4.35Å
235D91.9Very high94.9Very high14 Ų1426.4 Ų26.48%0.07515%0.146CC..Hα-helixtrans-61.8-32.9179.7-66.7-63.7000111.4S232 L237 V238 E239 K446S232-D235 WeakPolarHBondContact CB-OD2 3.38Å; S232-D235 PolarHBondContact N-OD2 3.21Å; S232-D235 PolarHBondContact OG-N 2.9Å; S232-D235 PolarHBondContact OG-OD2 3.07Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 3.06Å; D235-V238 WeakPolarHBondContact O-CB 3.47Å; D235-V238 PolarHBondContact O-N 3Å; D235-E239 WeakPolarHBondContact O-CG 3.37Å; D235-E239 PolarHBondContact O-N 3.19Å; D235-K446 VanDerWaalsContact OD1-CE 3.28Å; D235-K446 WeakPolarHBondContact OD1-CE 3.45Å; D235-K446 IonicContact OD1-NZ 3.02Å; D235-K446 PolarHBondContact OD1-NZ 2.82Å
236Q95.8Very high94.8Very high1 Ų121.8 Ų21.81%0.00513%0.125CC..Hα-helixtrans-59.3-44.8175-172.264.336.400111.5R191 I199 F228 G230 S232 G233 V234 V238 E239 I240R191-Q236 HydrophobicContact CG-CB 4.22Å; R191-Q236 HydrophobicContact CG-CG 4.25Å; R191-Q236 PolarHBondContact O-NE2 3.4Å; R191-Q236 PolarHBondContact O-OE1 2.96Å; I199-Q236 HydrophobicContact CD1-CB 4.04Å; I199-Q236 HydrophobicContact CD1-CG 3.56Å; F228-Q236 PolarHBondContact O-NE2 3.39Å; F228-Q236 PolarHBondContact O-OE1 2.93Å; G230-Q236 VanDerWaalsContact N-OE1 3.16Å; S232-Q236 WeakPolarHBondContact O-CB 3.32Å; S232-Q236 PolarHBondContact O-N 3.47Å; G233-Q236 WeakPolarHBondContact O-CB 3.27Å; V234-Q236 PolarHBondContact O-N 2.77Å; Q236-V238 VanDerWaalsContact C-N 3.34Å; Q236-E239 PolarHBondContact O-N 3.04Å; Q236-I240 HydrophobicContact CG-CD1 4.44Å; Q236-I240 VanDerWaalsContact O-CG1 3.31Å; Q236-I240 WeakPolarHBondContact O-CG1 3.42Å; Q236-I240 PolarHBondContact O-N 3.39Å
237L94.3Very high94.7Very high1 Ų120.4 Ų20.41%0.00512%0.117CC..Hα-helixtrans-66.4-38.4176-175.458.7000111.6I199 F200 G233 V234 D235 I240 I241 F264I199-L237 HydrophobicContact CG2-CB 4.2Å; F200-L237 HydrophobicContact CE1-CD2 4.15Å; F200-L237 HydrophobicContact CE2-CD1 3.88Å; F200-L237 HydrophobicContact CE2-CD2 4.3Å; F200-L237 HydrophobicContact CZ-CD1 4.03Å; F200-L237 HydrophobicContact CZ-CD2 3.73Å; G233-L237 PolarHBondContact O-N 3.49Å; V234-L237 WeakPolarHBondContact O-CB 3.42Å; V234-L237 PolarHBondContact O-N 3.23Å; V234-L237 VanDerWaalsContact O-N 3.07Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 3.06Å; L237-I240 PolarHBondContact O-N 3.38Å; L237-I241 HydrophobicContact CD1-CD1 4.31Å; L237-I241 HydrophobicContact CD1-CG1 4.4Å; L237-I241 HydrophobicContact CG-CD1 3.93Å; L237-I241 HydrophobicContact CG-CG1 4.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.05Å; L237-F264 HydrophobicContact CD2-CE1 3.91Å; L237-F264 HydrophobicContact CD2-CZ 3.51Å
238V94.1Very high94.5Very high0 Ų021.8 Ų21.80%013%0.127CC..Hα-helixtrans-57.9-48174.5165.90000111.4V234 D235 Q236 I240 I241 K242 I441 L445 K446 C449V234-V238 WeakPolarHBondContact O-CG2 3.31Å; V234-V238 PolarHBondContact O-N 3.25Å; D235-V238 WeakPolarHBondContact O-CB 3.47Å; D235-V238 PolarHBondContact O-N 3Å; Q236-V238 VanDerWaalsContact C-N 3.34Å; V238-I240 VanDerWaalsContact C-N 3.29Å; V238-I240 PolarHBondContact O-N 2.88Å; V238-I241 PolarHBondContact O-N 3.33Å; V238-K242 WeakPolarHBondContact O-CG 3.36Å; V238-K242 PolarHBondContact O-N 3.23Å; V238-I441 HydrophobicContact CG1-CG2 3.98Å; V238-L445 HydrophobicContact CB-CD2 4.27Å; V238-L445 HydrophobicContact CG1-CD2 3.73Å; V238-L445 HydrophobicContact CG1-CG 4.46Å; V238-L445 HydrophobicContact CG2-CD2 4.23Å; V238-L445 HydrophobicContact CG2-CG 4.17Å; V238-K446 HydrophobicContact CG1-CG 4.14Å; V238-K446 HydrophobicContact CG2-CG 4.22Å; V238-C449 HydrophobicContact CG2-CB 3.94Å; V238-C449 VanDerWaalsContact CG2-SG 3.56Å
239E96.6Very high94.1Very high34 Ų3432 Ų3216%0.15917%0.166CC..Hα-helixtrans-61.5-37.1177.2-65.6-50.7138.500112.3F228 D235 Q236 K242F228-E239 HydrophobicContact CB-CB 4.08Å; F228-E239 HydrophobicContact CD1-CB 4.32Å; D235-E239 WeakPolarHBondContact O-CG 3.37Å; D235-E239 PolarHBondContact O-N 3.19Å; Q236-E239 PolarHBondContact O-N 3.04Å; E239-K242 WeakPolarHBondContact OE1-CE 3.44Å; E239-K242 IonicContact OE1-NZ 3.44Å; E239-K242 PolarHBondContact OE1-NZ 2.66Å; E239-K242 WeakPolarHBondContact OE2-CE 3.43Å; E239-K242 IonicContact OE2-NZ 3.35Å; E239-K242 PolarHBondContact OE2-NZ 3.14Å
240I97.7Very high94Very high0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-65.3-47.9175.8-65.7166.2000110.7P196 I199 W212 F228 Q236 L237 V238 K242 V243 L244 Y294P196-I240 HydrophobicContact CB-CD1 4.43Å; I199-I240 HydrophobicContact CD1-CD1 3.8Å; W212-I240 HydrophobicContact CH2-CD1 4.41Å; W212-I240 HydrophobicContact CH2-CG1 4.48Å; W212-I240 HydrophobicContact CH2-CG2 3.82Å; W212-I240 HydrophobicContact CZ2-CD1 3.76Å; W212-I240 HydrophobicContact CZ2-CG1 3.98Å; W212-I240 HydrophobicContact CZ2-CG2 4.17Å; F228-I240 HydrophobicContact CB-CG1 4.3Å; F228-I240 HydrophobicContact CD1-CG1 3.99Å; F228-I240 HydrophobicContact CD2-CG1 3.92Å; F228-I240 HydrophobicContact CE1-CG1 4.27Å; F228-I240 HydrophobicContact CE2-CG1 4.22Å; F228-I240 HydrophobicContact CG-CG1 3.82Å; F228-I240 HydrophobicContact CZ-CG1 4.38Å; Q236-I240 HydrophobicContact CG-CD1 4.44Å; Q236-I240 VanDerWaalsContact O-CG1 3.31Å; Q236-I240 WeakPolarHBondContact O-CG1 3.42Å; Q236-I240 PolarHBondContact O-N 3.39Å; L237-I240 PolarHBondContact O-N 3.38Å; V238-I240 VanDerWaalsContact C-N 3.29Å; V238-I240 PolarHBondContact O-N 2.88Å; I240-K242 VanDerWaalsContact C-N 3.27Å; I240-K242 PolarHBondContact O-N 3.47Å; I240-V243 PolarHBondContact O-N 3.42Å; I240-L244 HydrophobicContact CG2-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CG 4.22Å; I240-L244 PolarHBondContact O-N 3.09Å; I240-Y294 HydrophobicContact CG2-CE1 3.65Å
241I96.4Very high94Very high0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-61.5-34.9-179.9-71.7170.5000111.6L237 V238 V243 G245 F264 I267 Y294 L445L237-I241 HydrophobicContact CD1-CD1 4.31Å; L237-I241 HydrophobicContact CD1-CG1 4.4Å; L237-I241 HydrophobicContact CG-CD1 3.93Å; L237-I241 HydrophobicContact CG-CG1 4.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.05Å; V238-I241 PolarHBondContact O-N 3.33Å; I241-V243 PolarHBondContact O-N 3.05Å; I241-G245 CarbonylContact O-C 3.52Å; I241-G245 WeakPolarHBondContact O-CA 3.47Å; I241-G245 PolarHBondContact O-N 2.98Å; I241-F264 HydrophobicContact CD1-CD1 3.99Å; I241-F264 HydrophobicContact CD1-CE1 4.04Å; I241-F264 HydrophobicContact CD1-CG 4.33Å; I241-F264 HydrophobicContact CD1-CZ 4.43Å; I241-I267 HydrophobicContact CG2-CB 4.05Å; I241-I267 HydrophobicContact CG2-CD1 3.89Å; I241-I267 HydrophobicContact CG2-CG1 4.45Å; I241-I267 HydrophobicContact CG2-CG2 4.36Å; I241-Y294 WeakPolarHBondContact CG1-OH 3.36Å; I241-L445 HydrophobicContact CD1-CD1 4.34Å; I241-L445 HydrophobicContact CG2-CD1 4.18Å; I241-L445 HydrophobicContact CG2-CD2 4.14Å
242K94.2Very high94.1Very high17 Ų1731 Ų317%0.07416%0.157CC..Hα-helixtrans-59.7-30.9175.1-72.5-177.7-141.5167.50113V238 E239 I240 H270 I439 I441V238-K242 WeakPolarHBondContact O-CG 3.36Å; V238-K242 PolarHBondContact O-N 3.23Å; E239-K242 WeakPolarHBondContact OE1-CE 3.44Å; E239-K242 IonicContact OE1-NZ 3.44Å; E239-K242 PolarHBondContact OE1-NZ 2.66Å; E239-K242 WeakPolarHBondContact OE2-CE 3.43Å; E239-K242 IonicContact OE2-NZ 3.35Å; E239-K242 PolarHBondContact OE2-NZ 3.14Å; I240-K242 VanDerWaalsContact C-N 3.27Å; I240-K242 PolarHBondContact O-N 3.47Å; K242-H270 PolarHBondContact O-CD2 3.08Å; K242-I439 HydrophobicContact CB-CG2 4.23Å; K242-I439 HydrophobicContact CD-CB 4.45Å; K242-I439 HydrophobicContact CD-CG2 4.23Å; K242-I439 HydrophobicContact CG-CG2 4.33Å; K242-I441 HydrophobicContact CD-CG1 4.2Å; K242-I441 VanDerWaalsContact NZ-CG1 3.29Å
243V97.4Very high94.3Very high10 Ų1034.8 Ų34.86%0.06117%0.171CC..Hα-helixtrans-92.8-52.8-179.9-179.20000110.7F228 I240 I241 H270 W272 V275F228-V243 HydrophobicContact CD1-CG2 4.39Å; F228-V243 HydrophobicContact CE1-CB 3.86Å; F228-V243 HydrophobicContact CE1-CG1 4.45Å; F228-V243 HydrophobicContact CE1-CG2 3.72Å; I240-V243 PolarHBondContact O-N 3.42Å; I241-V243 PolarHBondContact O-N 3.05Å; V243-H270 PolarHBondContact O-N 3.18Å; V243-W272 HydrophobicContact CG1-CE3 4.28Å; V243-W272 HydrophobicContact CG1-CH2 3.81Å; V243-W272 HydrophobicContact CG1-CZ2 4.37Å; V243-W272 HydrophobicContact CG1-CZ3 3.76Å; V243-V275 HydrophobicContact CG1-CG2 4.02Å
244L97.8Very high94.8Very high27 Ų2738.1 Ų38.114%0.14118%0.178CC..Hα-helixtrans-86.5-7.8-172.9-58.8-171.6000114.2W212 I240 P269 W272 L292 Y294W212-L244 HydrophobicContact CH2-CD1 3.66Å; W212-L244 HydrophobicContact CZ3-CD1 3.95Å; I240-L244 HydrophobicContact CG2-CD1 3.82Å; I240-L244 HydrophobicContact CG2-CG 4.22Å; I240-L244 PolarHBondContact O-N 3.09Å; L244-P269 WeakPolarHBondContact O-CB 3.14Å; L244-W272 HydrophobicContact CD2-CH2 3.95Å; L244-W272 HydrophobicContact CD2-CZ2 3.37Å; L244-L292 WeakPolarHBondContact CD1-O 3.18Å; L244-L292 WeakPolarHBondContact CD2-O 3.47Å; L244-Y294 HydrophobicContact CB-CD2 4.3Å; L244-Y294 HydrophobicContact CB-CE2 3.52Å; L244-Y294 HydrophobicContact CD1-CD1 4.43Å; L244-Y294 HydrophobicContact CD1-CD2 4.26Å; L244-Y294 HydrophobicContact CD1-CE1 4.23Å; L244-Y294 HydrophobicContact CD1-CE2 4.07Å; L244-Y294 HydrophobicContact CD1-CG 4.44Å; L244-Y294 HydrophobicContact CG-CE2 4.46Å
245G96.8Very high95.3Very high1 Ų137.8 Ų37.81%0.0118%0.176CC..  trans74.5177.8-168.700000112.3I241 I267 Y294I241-G245 CarbonylContact O-C 3.52Å; I241-G245 WeakPolarHBondContact O-CA 3.47Å; I241-G245 PolarHBondContact O-N 2.98Å; G245-I267 CarbonylContact C-O 3.6Å; G245-I267 VanDerWaalsContact CA-O 3.23Å; G245-I267 WeakPolarHBondContact CA-O 3.23Å; G245-Y294 WeakPolarHBondContact O-CE2 3.32Å; G245-Y294 PolarHBondContact O-OH 3.18Å
246T95.3Very high95.4Very high18 Ų1837.9 Ų37.911%0.1118%0.177CC..SBendtrans-67.9127.5177.2-560000109.7F264 P265 I267T246-F264 HydrophobicContact CG2-CB 3.54Å; T246-F264 HydrophobicContact CG2-CD2 4.28Å; T246-F264 HydrophobicContact CG2-CG 4.25Å; T246-P265 PolarHBondContact OG1-O 3.17Å; T246-I267 PolarHBondContact N-O 3.44Å; T246-I267 PolarHBondContact OG1-N 3.16Å
247P95Very high95.2Very high7 Ų740.5 Ų40.55%0.04519%0.194CC..PPolyproline II helixtrans-63.5140.9179.326.4-33.7000110.8Q251 I252 M255 Y294P247-Q251 HydrophobicContact CB-CB 4.14Å; P247-I252 HydrophobicContact CB-CG1 4Å; P247-I252 HydrophobicContact CG-CD1 4.17Å; P247-I252 HydrophobicContact CG-CG1 3.9Å; P247-M255 HydrophobicContact CB-CE 4.04Å; P247-M255 HydrophobicContact CG-CE 4.39Å; P247-Y294 HydrophobicContact CB-CD1 4.19Å; P247-Y294 HydrophobicContact CB-CD2 3.81Å; P247-Y294 HydrophobicContact CB-CE1 4.16Å; P247-Y294 HydrophobicContact CB-CE2 3.77Å; P247-Y294 HydrophobicContact CB-CG 4.03Å; P247-Y294 HydrophobicContact CG-CE1 4.36Å; P247-Y294 HydrophobicContact CG-CE2 4.44Å
248S93.8Very high94.9Very high45 Ų4545.9 Ų45.932%0.31522%0.223SC..PPolyproline II helixtrans-68.1165.2173.690.40000111.3E250 Q251 I252S248-E250 WeakPolarHBondContact CB-OE2 3.36Å; S248-E250 PolarHBondContact O-N 3.25Å; S248-E250 PolarHBondContact OG-N 3.47Å; S248-E250 PolarHBondContact OG-OE2 2.88Å; S248-Q251 PolarHBondContact O-N 2.9Å; S248-Q251 VanDerWaalsContact O-N 3.14Å; S248-Q251 PolarHBondContact OG-N 3.42Å; S248-I252 WeakPolarHBondContact O-CG1 3.09Å; S248-I252 PolarHBondContact O-N 3.35Å
249R91.6Very high94.3Very high215 Ų21547 Ų4781%0.81123%0.227SC*.Hα-helixtrans-58.8-38.7176.3-175.4179.1176.9176.9-0111.8I252 H253R249-I252 PolarHBondContact O-N 3.46Å; R249-H253 WeakPolarHBondContact O-CB 3.43Å; R249-H253 PolarHBondContact O-N 2.96Å
250E94.5Very high93.1Very high126 Ų12655.1 Ų55.159%0.58926%0.256SS*.Hα-helixtrans-66.3-42.7176.9-57.670.4-151.300110.7S248 H253 E254S248-E250 WeakPolarHBondContact CB-OE2 3.36Å; S248-E250 PolarHBondContact O-N 3.25Å; S248-E250 PolarHBondContact OG-N 3.47Å; S248-E250 PolarHBondContact OG-OE2 2.88Å; E250-H253 PolarHBondContact O-N 3.24Å; E250-E254 WeakPolarHBondContact O-CG 3.42Å; E250-E254 PolarHBondContact O-N 3.4Å
251Q96.2Very high91.7Very high43 Ų4362.4 Ų62.420%0.20129%0.29CS..Hα-helixtrans-63.9-41.6176.1-71.7175.7-47.600112.1P247 S248 H253 E254 M255P247-Q251 HydrophobicContact CB-CB 4.14Å; S248-Q251 PolarHBondContact O-N 2.9Å; S248-Q251 VanDerWaalsContact O-N 3.14Å; S248-Q251 PolarHBondContact OG-N 3.42Å; Q251-H253 VanDerWaalsContact C-N 3.33Å; Q251-E254 PolarHBondContact O-N 2.94Å; Q251-M255 WeakPolarHBondContact O-CG 3.23Å; Q251-M255 PolarHBondContact O-N 2.92Å
252I94.3Very high90.2Very high22 Ų2264.2 Ų64.211%0.11330%0.298CS..Hα-helixtrans-61.1-44.7174.2-66.9171000110.4P247 S248 R249 E254 M255 N256 Y259P247-I252 HydrophobicContact CB-CG1 4Å; P247-I252 HydrophobicContact CG-CD1 4.17Å; P247-I252 HydrophobicContact CG-CG1 3.9Å; S248-I252 WeakPolarHBondContact O-CG1 3.09Å; S248-I252 PolarHBondContact O-N 3.35Å; R249-I252 PolarHBondContact O-N 3.46Å; I252-E254 PolarHBondContact O-N 3Å; I252-M255 HydrophobicContact CG1-CE 4.21Å; I252-M255 PolarHBondContact O-N 3.4Å; I252-M255 VanDerWaalsContact O-N 3.13Å; I252-N256 PolarHBondContact O-N 2.89Å; I252-Y259 HydrophobicContact CG2-CD1 3.77Å; I252-Y259 HydrophobicContact CG2-CG 4.4Å
253H94Very high89.2Confident107 Ų10772.1 Ų72.150%0.49533%0.333SS..Hα-helixtrans-61.3-42178-174.170.3000112.5R249 E250 Q251 M255 N256 P257R249-H253 WeakPolarHBondContact O-CB 3.43Å; R249-H253 PolarHBondContact O-N 2.96Å; E250-H253 PolarHBondContact O-N 3.24Å; Q251-H253 VanDerWaalsContact C-N 3.33Å; H253-M255 VanDerWaalsContact C-N 3.27Å; H253-M255 PolarHBondContact O-N 2.92Å; H253-N256 CarbonylContact O-C 3.55Å; H253-P257 VanDerWaalsContact O-CD 3.31Å; H253-P257 WeakPolarHBondContact O-CD 3.37Å; H253-P257 WeakPolarHBondContact O-CG 3.48Å
254E96.7Very high88.1Confident101 Ų10172.6 Ų72.647%0.47233%0.334SS..Hα-helixtrans-66.9-26.1175.3-70-74.4142.900113.3E250 Q251 I252 T295E250-E254 WeakPolarHBondContact O-CG 3.42Å; E250-E254 PolarHBondContact O-N 3.4Å; Q251-E254 PolarHBondContact O-N 2.94Å; I252-E254 PolarHBondContact O-N 3Å; E254-T295 HydrophobicContact CB-CG2 3.96Å; E254-T295 HydrophobicContact CG-CG2 3.88Å
255M96.3Very high87.4Confident5 Ų572.9 Ų72.93%0.02534%0.338CS..Hα-helixtrans-82.1-45.4176.1-75.5-173.8-65.500112.3P196 E197 F200 A202 P247 Q251 I252 H253 Y294P196-M255 HydrophobicContact CB-SD 3.56Å; P196-M255 VanDerWaalsContact CB-SD 3.56Å; P196-M255 HydrophobicContact CG-SD 3.6Å; E197-M255 HydrophobicContact CB-CB 3.86Å; E197-M255 HydrophobicContact CB-CG 4.12Å; E197-M255 WeakPolarHBondContact CB-O 3.14Å; F200-M255 HydrophobicContact CD2-CB 4.41Å; F200-M255 HydrophobicContact CD2-CE 3.67Å; F200-M255 HydrophobicContact CD2-SD 3.81Å; F200-M255 HydrophobicContact CE2-CE 3.36Å; F200-M255 HydrophobicContact CE2-SD 3.93Å; F200-M255 HydrophobicContact CZ-CE 4.21Å; A202-M255 VanDerWaalsContact CB-O 3.31Å; A202-M255 WeakPolarHBondContact CB-O 3.41Å; P247-M255 HydrophobicContact CB-CE 4.04Å; P247-M255 HydrophobicContact CG-CE 4.39Å; Q251-M255 WeakPolarHBondContact O-CG 3.23Å; Q251-M255 PolarHBondContact O-N 2.92Å; I252-M255 HydrophobicContact CG1-CE 4.21Å; I252-M255 PolarHBondContact O-N 3.4Å; I252-M255 VanDerWaalsContact O-N 3.13Å; H253-M255 VanDerWaalsContact C-N 3.27Å; H253-M255 PolarHBondContact O-N 2.92Å; M255-Y294 HydrophobicContact CE-CD1 3.89Å; M255-Y294 HydrophobicContact CE-CG 4.33Å; M255-Y294 WeakPolarHBondContact CG-O 3.41Å; M255-Y294 HydrophobicContact SD-CD1 3.72Å; M255-Y294 HydrophobicContact SD-CG 4.35Å
256N95.1Very high87Confident15 Ų1580.8 Ų80.88%0.0837%0.374CS..  trans-154103.5176-176.5-5.9000110.1F200 A202 I252 H253 D258 Y259F200-N256 HydrophobicContact CB-CB 4.14Å; F200-N256 PolarHBondContact O-ND2 3.47Å; A202-N256 HydrophobicContact CB-CB 4.22Å; I252-N256 PolarHBondContact O-N 2.89Å; H253-N256 CarbonylContact O-C 3.55Å; N256-D258 PolarHBondContact O-N 3.4Å; N256-D258 PolarHBondContact OD1-N 2.82Å; N256-Y259 WeakPolarHBondContact O-CB 3.31Å; N256-Y259 PolarHBondContact O-N 3.21Å
257P92Very high87Confident56 Ų5681.6 Ų81.636%0.36438%0.378SS..THydrogen-bonded Turntrans-60.1-27.7-179.9-25.934.4000114.7H253 Y259H253-P257 VanDerWaalsContact O-CD 3.31Å; H253-P257 WeakPolarHBondContact O-CD 3.37Å; H253-P257 WeakPolarHBondContact O-CG 3.48Å; P257-Y259 PolarHBondContact O-N 3.25Å
258D88.1Confident86.9Confident114 Ų11489.8 Ų89.861%0.6141%0.412SS*.THydrogen-bonded Turntrans-78.5-3.6179.8-69.8-40000112.9N256 R260N256-D258 PolarHBondContact O-N 3.4Å; N256-D258 PolarHBondContact OD1-N 2.82Å; D258-R260 PolarHBondContact O-N 2.94Å
259Y81.6Confident87Confident25 Ų2592 Ų9210%0.09843%0.426CS..  trans-85.390.6179.3-149.1-102.8000111.6F200 I252 N256 P257 F262F200-Y259 AromaticContact CD1-CD1 3.81Å; F200-Y259 HydrophobicContact CD1-CD1 3.81Å; F200-Y259 HydrophobicContact CD1-CD2 4.18Å; F200-Y259 AromaticContact CD1-CE1 3.35Å; F200-Y259 HydrophobicContact CD1-CE1 3.35Å; F200-Y259 AromaticContact CD1-CE2 3.84Å; F200-Y259 HydrophobicContact CD1-CE2 3.84Å; F200-Y259 HydrophobicContact CD1-CG 4.13Å; F200-Y259 AromaticContact CD1-CZ 3.33Å; F200-Y259 WeakPolarHBondContact CD1-OH 3.43Å; F200-Y259 HydrophobicContact CE1-CD1 4.05Å; F200-Y259 AromaticContact CE1-CE1 3.37Å; F200-Y259 HydrophobicContact CE1-CE1 3.37Å; F200-Y259 AromaticContact CE1-CZ 3.66Å; I252-Y259 HydrophobicContact CG2-CD1 3.77Å; I252-Y259 HydrophobicContact CG2-CG 4.4Å; N256-Y259 WeakPolarHBondContact O-CB 3.31Å; N256-Y259 PolarHBondContact O-N 3.21Å; P257-Y259 PolarHBondContact O-N 3.25Å; Y259-F262 AromaticContact CD1-CD2 3.96Å; Y259-F262 HydrophobicContact CD1-CD2 3.96Å; Y259-F262 HydrophobicContact CE1-CB 4.19Å; Y259-F262 AromaticContact CE1-CD2 2.95Å; Y259-F262 HydrophobicContact CE1-CD2 2.95Å; Y259-F262 AromaticContact CE1-CE2 3.28Å; Y259-F262 HydrophobicContact CE1-CE2 3.28Å; Y259-F262 AromaticContact CE1-CG 3.69Å; Y259-F262 HydrophobicContact CE1-CG 3.69Å; Y259-F262 HydrophobicContact CE1-CZ 4.13Å; Y259-F262 HydrophobicContact CE2-CE2 4.21Å; Y259-F262 AromaticContact CZ-CD2 3.34Å; Y259-F262 AromaticContact CZ-CE2 3.08Å; Y259-F262 AromaticContact CZ-CZ 3.86Å; Y259-F262 WeakPolarHBondContact OH-CD2 3.42Å; Y259-F262 WeakPolarHBondContact OH-CE2 3.5Å; Y259-F262 WeakPolarHBondContact OH-CZ 3.42Å
260R71.2Confident87Confident204 Ų20485 Ų8577%0.7740%0.402SS*.  trans-89.7-23.1-163-67-176.3-175.3-166.92117.6D258D258-R260 PolarHBondContact O-N 2.94Å
261E66.5Low87Confident152 Ų15284.2 Ų84.271%0.7140%0.401SS*.  trans-147.2128.2-177.7-74.9-168.9147.600110
262F65.8Low87Confident39 Ų3984.3 Ų84.317%0.17140%0.4CS..  trans-149.8139.5168-123.6-96.8000112Y259 F264 E452Y259-F262 AromaticContact CD1-CD2 3.96Å; Y259-F262 HydrophobicContact CD1-CD2 3.96Å; Y259-F262 HydrophobicContact CE1-CB 4.19Å; Y259-F262 AromaticContact CE1-CD2 2.95Å; Y259-F262 HydrophobicContact CE1-CD2 2.95Å; Y259-F262 AromaticContact CE1-CE2 3.28Å; Y259-F262 HydrophobicContact CE1-CE2 3.28Å; Y259-F262 AromaticContact CE1-CG 3.69Å; Y259-F262 HydrophobicContact CE1-CG 3.69Å; Y259-F262 HydrophobicContact CE1-CZ 4.13Å; Y259-F262 HydrophobicContact CE2-CE2 4.21Å; Y259-F262 AromaticContact CZ-CD2 3.34Å; Y259-F262 AromaticContact CZ-CE2 3.08Å; Y259-F262 AromaticContact CZ-CZ 3.86Å; Y259-F262 WeakPolarHBondContact OH-CD2 3.42Å; Y259-F262 WeakPolarHBondContact OH-CE2 3.5Å; Y259-F262 WeakPolarHBondContact OH-CZ 3.42Å; F262-F264 HydrophobicContact CB-CD2 4.28Å; F262-F264 HydrophobicContact CB-CE2 4.08Å; F262-F264 AromaticContact CD1-CD1 3.89Å; F262-F264 HydrophobicContact CD1-CD1 3.89Å; F262-F264 AromaticContact CD1-CD2 3.56Å; F262-F264 HydrophobicContact CD1-CD2 3.56Å; F262-F264 AromaticContact CD1-CE1 3.47Å; F262-F264 HydrophobicContact CD1-CE1 3.47Å; F262-F264 VanDerWaalsContact CD1-CE1 3.47Å; F262-F264 AromaticContact CD1-CE2 3.1Å; F262-F264 HydrophobicContact CD1-CE2 3.1Å; F262-F264 AromaticContact CD1-CG 3.94Å; F262-F264 HydrophobicContact CD1-CG 3.94Å; F262-F264 AromaticContact CD1-CZ 3.05Å; F262-F264 HydrophobicContact CD1-CZ 3.05Å; F262-F264 AromaticContact CE1-CD1 3.99Å; F262-F264 HydrophobicContact CE1-CD1 3.99Å; F262-F264 HydrophobicContact CE1-CD2 4.31Å; F262-F264 AromaticContact CE1-CE1 3.19Å; F262-F264 HydrophobicContact CE1-CE1 3.19Å; F262-F264 AromaticContact CE1-CE2 3.59Å; F262-F264 HydrophobicContact CE1-CE2 3.59Å; F262-F264 HydrophobicContact CE1-CG 4.48Å; F262-F264 AromaticContact CE1-CZ 2.96Å; F262-F264 HydrophobicContact CE1-CZ 2.96Å; F262-F264 HydrophobicContact CG-CD2 4.26Å; F262-F264 AromaticContact CG-CE2 3.74Å; F262-F264 HydrophobicContact CG-CE2 3.74Å; F262-F264 AromaticContact CG-CZ 4Å; F262-F264 HydrophobicContact CG-CZ 4Å; F262-F264 HydrophobicContact CZ-CE1 4.3Å; F262-F264 AromaticContact CZ-CZ 3.86Å; F262-F264 HydrophobicContact CZ-CZ 3.86Å; F262-E452 WeakPolarHBondContact CA-OE1 3.37Å; F262-E452 HydrophobicContact CD1-CB 4.2Å; F262-E452 HydrophobicContact CD1-CG 3.87Å; F262-E452 HydrophobicContact CD2-CB 4.29Å; F262-E452 HydrophobicContact CD2-CG 4.31Å; F262-E452 HydrophobicContact CE1-CB 3.33Å; F262-E452 HydrophobicContact CE1-CG 3.46Å; F262-E452 VanDerWaalsContact CE1-CG 3.46Å; F262-E452 HydrophobicContact CE2-CB 3.39Å; F262-E452 HydrophobicContact CE2-CG 3.87Å; F262-E452 WeakPolarHBondContact CE2-OE2 3.46Å; F262-E452 HydrophobicContact CG-CG 4.37Å; F262-E452 HydrophobicContact CZ-CB 2.96Å; F262-E452 HydrophobicContact CZ-CG 3.59Å
263K72.3Confident87Confident183 Ų18386.5 Ų86.580%0.79642%0.417SS*.  trans-115.681.9170.1-75.2-176.4-179.1173.80111.3E452K263-E452 PolarHBondContact N-OE1 3.46Å; K263-E452 VanDerWaalsContact N-OE1 3.11Å
264F75.6Confident87.1Confident19 Ų1988.5 Ų88.58%0.08342%0.424CS..  trans-78.5141.5164.4-65.4-67.2000110.8F200 L237 I241 T246 F262 Q266 L445 C449F200-F264 HydrophobicContact CE1-CE2 4.23Å; F200-F264 HydrophobicContact CE1-CZ 4.23Å; F200-F264 HydrophobicContact CZ-CE2 4.1Å; F200-F264 HydrophobicContact CZ-CZ 4.17Å; L237-F264 HydrophobicContact CD2-CE1 3.91Å; L237-F264 HydrophobicContact CD2-CZ 3.51Å; I241-F264 HydrophobicContact CD1-CD1 3.99Å; I241-F264 HydrophobicContact CD1-CE1 4.04Å; I241-F264 HydrophobicContact CD1-CG 4.33Å; I241-F264 HydrophobicContact CD1-CZ 4.43Å; T246-F264 HydrophobicContact CG2-CB 3.54Å; T246-F264 HydrophobicContact CG2-CD2 4.28Å; T246-F264 HydrophobicContact CG2-CG 4.25Å; F262-F264 HydrophobicContact CB-CD2 4.28Å; F262-F264 HydrophobicContact CB-CE2 4.08Å; F262-F264 AromaticContact CD1-CD1 3.89Å; F262-F264 HydrophobicContact CD1-CD1 3.89Å; F262-F264 AromaticContact CD1-CD2 3.56Å; F262-F264 HydrophobicContact CD1-CD2 3.56Å; F262-F264 AromaticContact CD1-CE1 3.47Å; F262-F264 HydrophobicContact CD1-CE1 3.47Å; F262-F264 VanDerWaalsContact CD1-CE1 3.47Å; F262-F264 AromaticContact CD1-CE2 3.1Å; F262-F264 HydrophobicContact CD1-CE2 3.1Å; F262-F264 AromaticContact CD1-CG 3.94Å; F262-F264 HydrophobicContact CD1-CG 3.94Å; F262-F264 AromaticContact CD1-CZ 3.05Å; F262-F264 HydrophobicContact CD1-CZ 3.05Å; F262-F264 AromaticContact CE1-CD1 3.99Å; F262-F264 HydrophobicContact CE1-CD1 3.99Å; F262-F264 HydrophobicContact CE1-CD2 4.31Å; F262-F264 AromaticContact CE1-CE1 3.19Å; F262-F264 HydrophobicContact CE1-CE1 3.19Å; F262-F264 AromaticContact CE1-CE2 3.59Å; F262-F264 HydrophobicContact CE1-CE2 3.59Å; F262-F264 HydrophobicContact CE1-CG 4.48Å; F262-F264 AromaticContact CE1-CZ 2.96Å; F262-F264 HydrophobicContact CE1-CZ 2.96Å; F262-F264 HydrophobicContact CG-CD2 4.26Å; F262-F264 AromaticContact CG-CE2 3.74Å; F262-F264 HydrophobicContact CG-CE2 3.74Å; F262-F264 AromaticContact CG-CZ 4Å; F262-F264 HydrophobicContact CG-CZ 4Å; F262-F264 HydrophobicContact CZ-CE1 4.3Å; F262-F264 AromaticContact CZ-CZ 3.86Å; F262-F264 HydrophobicContact CZ-CZ 3.86Å; F264-Q266 PolarHBondContact O-N 3.24Å; F264-L445 HydrophobicContact CD1-CD1 4.49Å; F264-C449 HydrophobicContact CE1-CB 4.41Å; F264-C449 WeakPolarHBondContact CE1-SG 3.45Å
265P82.7Confident87.1Confident34 Ų3485 Ų8522%0.22141%0.41CS..  trans-50.8138.9158.9-24.434.1000110.1T246 I267 L445T246-P265 PolarHBondContact OG1-O 3.17Å; P265-I267 PolarHBondContact O-N 2.92Å; P265-L445 HydrophobicContact CG-CD1 4.32Å
266Q89.1Confident87.1Confident166 Ų16685.1 Ų85.178%0.77641%0.41SS*.  trans-78.9107.1179.9-69.4-63.5-36.600110.1F264F264-Q266 PolarHBondContact O-N 3.24Å
267I93.8Very high86.9Confident36 Ų3689.7 Ų89.719%0.18543%0.427CS..  trans-111.5130.2-179.7-64.3178.3000108.6I241 G245 T246 P265 L445I241-I267 HydrophobicContact CG2-CB 4.05Å; I241-I267 HydrophobicContact CG2-CD1 3.89Å; I241-I267 HydrophobicContact CG2-CG1 4.45Å; I241-I267 HydrophobicContact CG2-CG2 4.36Å; G245-I267 CarbonylContact C-O 3.6Å; G245-I267 VanDerWaalsContact CA-O 3.23Å; G245-I267 WeakPolarHBondContact CA-O 3.23Å; T246-I267 PolarHBondContact N-O 3.44Å; T246-I267 PolarHBondContact OG1-N 3.16Å; P265-I267 PolarHBondContact O-N 2.92Å; I267-L445 HydrophobicContact CD1-CB 4.16Å; I267-L445 HydrophobicContact CD1-CD1 3.69Å; I267-L445 HydrophobicContact CD1-CD2 3.47Å; I267-L445 VanDerWaalsContact CD1-CD2 3.47Å; I267-L445 HydrophobicContact CD1-CG 3.93Å
268K94.5Very high87Confident179 Ų17993.4 Ų93.478%0.77845%0.451SS*.PPolyproline II helixtrans-75.5143.8177-68-176.1179.1179.80110.3
269P94.6Very high87.2Confident91 Ų9199.3 Ų99.359%0.59146%0.464SS*.PPolyproline II helixtrans-58.9141.3173.523.6-32.8000111.2L244L244-P269 WeakPolarHBondContact O-CB 3.14Å
270H93.2Very high87.9Confident68 Ų6899.2 Ų99.232%0.31547%0.466SS..PPolyproline II helixtrans-75141.2166.5-93.2-99.8000109.7K242 V243 W272 V275 I439K242-H270 PolarHBondContact O-CD2 3.08Å; V243-H270 PolarHBondContact O-N 3.18Å; H270-W272 PolarHBondContact O-N 3.34Å; H270-V275 HydrophobicContact CB-CG2 4.47Å; H270-I439 WeakPolarHBondContact NE2-CG2 3.35Å
271L94.3Very high89.2Confident109 Ų10991.2 Ų91.257%0.57144%0.441SS*.PPolyproline II helixtrans-67.5124.2175.9-174.265.2000109.4S273 K274 V275L271-S273 WeakPolarHBondContact CD2-OG 3.48Å; L271-S273 WeakPolarHBondContact CG-OG 3.27Å; L271-S273 PolarHBondContact O-N 3.42Å; L271-S273 VanDerWaalsContact O-N 3.1Å; L271-K274 HydrophobicContact CB-CG 4.39Å; L271-K274 WeakPolarHBondContact O-CA 3.39Å; L271-K274 WeakPolarHBondContact O-CB 3.42Å; L271-K274 PolarHBondContact O-N 2.96Å; L271-V275 PolarHBondContact O-N 3.08Å
272W96.4Very high90.7Very high45 Ų4587.8 Ų87.817%0.1743%0.433CS..Hα-helixtrans-51.9-36.6-178.5-80.1115.2000114.1I227 V243 L244 H270 K274 V275 F276 I285 V288 L292I227-W272 HydrophobicContact CD1-CH2 4.39Å; I227-W272 HydrophobicContact CD1-CZ3 3.9Å; V243-W272 HydrophobicContact CG1-CE3 4.28Å; V243-W272 HydrophobicContact CG1-CH2 3.81Å; V243-W272 HydrophobicContact CG1-CZ2 4.37Å; V243-W272 HydrophobicContact CG1-CZ3 3.76Å; L244-W272 HydrophobicContact CD2-CH2 3.95Å; L244-W272 HydrophobicContact CD2-CZ2 3.37Å; H270-W272 PolarHBondContact O-N 3.34Å; W272-K274 PolarHBondContact O-N 3.1Å; W272-V275 HydrophobicContact CE3-CB 4.33Å; W272-V275 HydrophobicContact CE3-CG2 4.13Å; W272-V275 WeakPolarHBondContact O-CB 3.44Å; W272-V275 PolarHBondContact O-N 3.47Å; W272-V275 VanDerWaalsContact O-N 3.08Å; W272-F276 AromaticContact CE3-CE2 3.73Å; W272-F276 HydrophobicContact CE3-CE2 3.73Å; W272-F276 HydrophobicContact CE3-CZ 4.4Å; W272-F276 HydrophobicContact CZ3-CE2 4.1Å; W272-F276 HydrophobicContact CZ3-CZ 4.32Å; W272-F276 WeakPolarHBondContact O-CD2 3.43Å; W272-I285 HydrophobicContact CB-CG2 3.56Å; W272-V288 HydrophobicContact CE3-CG1 4.24Å; W272-V288 HydrophobicContact CH2-CG1 3.76Å; W272-V288 HydrophobicContact CZ2-CG1 4.45Å; W272-V288 HydrophobicContact CZ3-CG1 3.63Å; W272-L292 HydrophobicContact CH2-CB 3.98Å; W272-L292 HydrophobicContact CH2-CD1 3.75Å; W272-L292 HydrophobicContact CH2-CG 4.46Å; W272-L292 HydrophobicContact CZ2-CB 4.07Å; W272-L292 HydrophobicContact CZ3-CD1 4.45Å
273S93.7Very high92.2Very high69 Ų6989.4 Ų89.448%0.48344%0.441SS..Hα-helixtrans-66.1-15.6176.762.80000114.7L271L271-S273 WeakPolarHBondContact CD2-OG 3.48Å; L271-S273 WeakPolarHBondContact CG-OG 3.27Å; L271-S273 PolarHBondContact O-N 3.42Å; L271-S273 VanDerWaalsContact O-N 3.1Å
274K95.6Very high93.4Very high148 Ų14880.7 Ų80.764%0.64340%0.404SS*.Hα-helixtrans-96.7-12.1173.9-63.9-171.6175.9-175.60113.4L271 W272L271-K274 HydrophobicContact CB-CG 4.39Å; L271-K274 WeakPolarHBondContact O-CA 3.39Å; L271-K274 WeakPolarHBondContact O-CB 3.42Å; L271-K274 PolarHBondContact O-N 2.96Å; W272-K274 PolarHBondContact O-N 3.1Å
275V96.2Very high94.5Very high28 Ų2880.8 Ų80.817%0.1741%0.405CS..Hα-helixtrans-73.8-39175.2178.80000110L223 I227 V243 H270 L271 W272L223-V275 WeakPolarHBondContact CD2-O 3.43Å; I227-V275 HydrophobicContact CD1-CG1 4.13Å; V243-V275 HydrophobicContact CG1-CG2 4.02Å; H270-V275 HydrophobicContact CB-CG2 4.47Å; L271-V275 PolarHBondContact O-N 3.08Å; W272-V275 HydrophobicContact CE3-CB 4.33Å; W272-V275 HydrophobicContact CE3-CG2 4.13Å; W272-V275 WeakPolarHBondContact O-CB 3.44Å; W272-V275 PolarHBondContact O-N 3.47Å; W272-V275 VanDerWaalsContact O-N 3.08Å
276F95.9Very high95.3Very high8 Ų883.4 Ų83.44%0.03541%0.414CS..SBendtrans-98.7161.1-176.9-60.5-74.6000112.7A219 L222 L223 W272 V280 I285 V288A219-F276 HydrophobicContact CB-CE1 4.18Å; A219-F276 HydrophobicContact CB-CZ 4.1Å; L222-F276 HydrophobicContact CB-CD1 3.93Å; L222-F276 HydrophobicContact CB-CE1 3.94Å; L222-F276 HydrophobicContact CD1-CE1 4.2Å; L223-F276 HydrophobicContact CD1-CE1 4.14Å; L223-F276 HydrophobicContact CD2-CD1 3.71Å; L223-F276 HydrophobicContact CD2-CE1 4.1Å; L223-F276 HydrophobicContact CG-CD1 3.82Å; L223-F276 HydrophobicContact CG-CE1 3.76Å; W272-F276 AromaticContact CE3-CE2 3.73Å; W272-F276 HydrophobicContact CE3-CE2 3.73Å; W272-F276 HydrophobicContact CE3-CZ 4.4Å; W272-F276 HydrophobicContact CZ3-CE2 4.1Å; W272-F276 HydrophobicContact CZ3-CZ 4.32Å; W272-F276 WeakPolarHBondContact O-CD2 3.43Å; F276-V280 HydrophobicContact CB-CB 4Å; F276-V280 HydrophobicContact CB-CG1 4.29Å; F276-V280 HydrophobicContact CB-CG2 3.97Å; F276-V280 HydrophobicContact CG-CG1 4.48Å; F276-I285 HydrophobicContact CB-CD1 4.24Å; F276-I285 HydrophobicContact CB-CG1 4.45Å; F276-I285 HydrophobicContact CD2-CB 4.39Å; F276-I285 HydrophobicContact CD2-CD1 4.19Å; F276-I285 HydrophobicContact CD2-CG1 3.77Å; F276-I285 HydrophobicContact CD2-CG2 4.09Å; F276-I285 HydrophobicContact CE2-CG1 4.42Å; F276-I285 HydrophobicContact CE2-CG2 4.3Å; F276-I285 HydrophobicContact CG-CG1 4.32Å; F276-V288 HydrophobicContact CE2-CB 4.4Å; F276-V288 HydrophobicContact CE2-CG1 4.31Å; F276-V288 HydrophobicContact CE2-CG2 4.48Å; F276-V288 HydrophobicContact CZ-CB 4.26Å; F276-V288 HydrophobicContact CZ-CG1 3.97Å; F276-V288 HydrophobicContact CZ-CG2 4.01Å
277R92.7Very high95.7Very high111 Ų11175.5 Ų75.542%0.41938%0.377SS..  trans-62.4147.1172.9-66.1-179.8177.7-177.9-4.4110.2R279 V280R277-R279 PolarHBondContact O-N 2.86Å; R277-V280 HydrophobicContact CB-CG2 4.48Å; R277-V280 WeakPolarHBondContact O-CB 3.42Å; R277-V280 WeakPolarHBondContact O-CG2 3.29Å; R277-V280 PolarHBondContact O-N 2.93Å
278P93Very high96Very high134 Ų13473.8 Ų73.887%0.8737%0.368SS*.THydrogen-bonded Turntrans-57.7-17.9-177.6-27.634.8000116.2
279R93.5Very high96.1Very high238 Ų23867 Ų6790%0.89834%0.344SS*.THydrogen-bonded Turntrans-85.1-8.6178.9-60.4-176.7-170.7172.12.9113.6R277R277-R279 PolarHBondContact O-N 2.86Å
280V96.2Very high96.3Very high22 Ų2265.7 Ų65.713%0.13333%0.33CS..SBendtrans-71.4126.3176.6177.50000108.4L222 F276 R277 A284 I285L222-V280 HydrophobicContact CD1-CG1 4.1Å; L222-V280 HydrophobicContact CD2-CG1 4.1Å; L222-V280 HydrophobicContact CG-CG1 4.49Å; F276-V280 HydrophobicContact CB-CB 4Å; F276-V280 HydrophobicContact CB-CG1 4.29Å; F276-V280 HydrophobicContact CB-CG2 3.97Å; F276-V280 HydrophobicContact CG-CG1 4.48Å; R277-V280 HydrophobicContact CB-CG2 4.48Å; R277-V280 WeakPolarHBondContact O-CB 3.42Å; R277-V280 WeakPolarHBondContact O-CG2 3.29Å; R277-V280 PolarHBondContact O-N 2.93Å; V280-A284 HydrophobicContact CG1-CB 3.96Å; V280-I285 HydrophobicContact CB-CD1 4.37Å; V280-I285 HydrophobicContact CB-CG1 4.42Å; V280-I285 HydrophobicContact CG1-CD1 4.22Å; V280-I285 HydrophobicContact CG1-CG1 3.74Å
281P97.1Very high96.6Very high37 Ų3762.5 Ų62.524%0.2432%0.315CS..  trans-62.9148.6-178.3-19.829.9000112.9L126 E283 A284 I285L126-P281 HydrophobicContact CD1-CG 4.43Å; L126-P281 HydrophobicContact CD2-CG 3.5Å; P281-E283 VanDerWaalsContact CB-OE2 3.23Å; P281-E283 WeakPolarHBondContact CB-OE2 3.03Å; P281-E283 PolarHBondContact O-N 3.46Å; P281-A284 WeakPolarHBondContact O-CB 3.33Å; P281-A284 PolarHBondContact O-N 3.13Å; P281-A284 VanDerWaalsContact O-N 3.09Å; P281-I285 WeakPolarHBondContact O-CG1 3.36Å; P281-I285 PolarHBondContact O-N 3.37Å
282S97.6Very high96.8Very high79 Ų7957.4 Ų57.455%0.55229%0.288SS*.Hα-helixtrans-54.9-38.1178.329.50000113.1A284 I285 Q286S282-A284 VanDerWaalsContact C-N 3.31Å; S282-A284 PolarHBondContact O-N 3.05Å; S282-I285 PolarHBondContact O-N 2.93Å; S282-Q286 WeakPolarHBondContact O-CB 3.41Å; S282-Q286 PolarHBondContact O-N 3.26Å
283E98.1Very high96.9Very high73 Ų7357.1 Ų57.134%0.34129%0.29SS..Hα-helixtrans-68.4-33.4-177.7-54.169.1-145.200110.9P281 L287 H308 F310P281-E283 VanDerWaalsContact CB-OE2 3.23Å; P281-E283 WeakPolarHBondContact CB-OE2 3.03Å; P281-E283 PolarHBondContact O-N 3.46Å; E283-L287 WeakPolarHBondContact O-CB 3.23Å; E283-L287 PolarHBondContact O-N 3.27Å; E283-H308 PolarHBondContact O-CE1 3.44Å; E283-F310 HydrophobicContact CB-CB 4.13Å; E283-F310 HydrophobicContact CB-CD2 4.39Å
284A98.5Very high97.2Very high0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-68.6-43.7175.400000110.6L222 V280 P281 S282 L287 V288 F310L222-A284 HydrophobicContact CD1-CB 3.99Å; L222-A284 HydrophobicContact CD2-CB 4.35Å; V280-A284 HydrophobicContact CG1-CB 3.96Å; P281-A284 WeakPolarHBondContact O-CB 3.33Å; P281-A284 PolarHBondContact O-N 3.13Å; P281-A284 VanDerWaalsContact O-N 3.09Å; S282-A284 VanDerWaalsContact C-N 3.31Å; S282-A284 PolarHBondContact O-N 3.05Å; A284-L287 PolarHBondContact O-N 3.46Å; A284-V288 WeakPolarHBondContact O-CG2 3.37Å; A284-V288 PolarHBondContact O-N 3.24Å; A284-F310 HydrophobicContact CB-CD2 3.7Å; A284-F310 HydrophobicContact CB-CE2 3.43Å; A284-F310 VanDerWaalsContact CB-CE2 3.43Å; A284-F310 HydrophobicContact CB-CZ 4.03Å
285I98.4Very high97.3Very high21 Ų2147.3 Ų47.311%0.10824%0.239CC..Hα-helixtrans-65-42.3178.7-59.2179.5000110.6W272 F276 V280 P281 S282 V288 S289W272-I285 HydrophobicContact CB-CG2 3.56Å; F276-I285 HydrophobicContact CB-CD1 4.24Å; F276-I285 HydrophobicContact CB-CG1 4.45Å; F276-I285 HydrophobicContact CD2-CB 4.39Å; F276-I285 HydrophobicContact CD2-CD1 4.19Å; F276-I285 HydrophobicContact CD2-CG1 3.77Å; F276-I285 HydrophobicContact CD2-CG2 4.09Å; F276-I285 HydrophobicContact CE2-CG1 4.42Å; F276-I285 HydrophobicContact CE2-CG2 4.3Å; F276-I285 HydrophobicContact CG-CG1 4.32Å; V280-I285 HydrophobicContact CB-CD1 4.37Å; V280-I285 HydrophobicContact CB-CG1 4.42Å; V280-I285 HydrophobicContact CG1-CD1 4.22Å; V280-I285 HydrophobicContact CG1-CG1 3.74Å; P281-I285 WeakPolarHBondContact O-CG1 3.36Å; P281-I285 PolarHBondContact O-N 3.37Å; S282-I285 PolarHBondContact O-N 2.93Å; I285-V288 PolarHBondContact O-N 2.71Å; I285-S289 PolarHBondContact O-N 3.14Å
286Q98.3Very high97.4Very high90 Ų9046.7 Ų46.742%0.42124%0.235SC..Hα-helixtrans-60.6-46175-178.5179.92100111.6S282 V288 S289 Q290S282-Q286 WeakPolarHBondContact O-CB 3.41Å; S282-Q286 PolarHBondContact O-N 3.26Å; Q286-V288 VanDerWaalsContact C-N 3.33Å; Q286-V288 PolarHBondContact O-N 2.97Å; Q286-S289 PolarHBondContact O-N 2.9Å; Q286-S289 PolarHBondContact O-OG 3.42Å; Q286-Q290 WeakPolarHBondContact O-CG 3.3Å; Q286-Q290 PolarHBondContact O-N 2.88Å
287L98.8Very high97.5Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-59.8-45.1177.1179.956.2000110.8F137 L218 E283 A284 S289 Q290 L291 L300 A305 H308 F310 F311F137-L287 HydrophobicContact CE2-CD2 4.41Å; L218-L287 HydrophobicContact CD2-CB 4.16Å; L218-L287 HydrophobicContact CD2-CD2 3.71Å; L218-L287 HydrophobicContact CD2-CG 3.71Å; E283-L287 WeakPolarHBondContact O-CB 3.23Å; E283-L287 PolarHBondContact O-N 3.27Å; A284-L287 PolarHBondContact O-N 3.46Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3Å; L287-Q290 PolarHBondContact O-N 2.97Å; L287-L291 HydrophobicContact CD1-CD1 3.92Å; L287-L291 HydrophobicContact CD1-CG 4.14Å; L287-L291 HydrophobicContact CG-CD1 3.85Å; L287-L291 WeakPolarHBondContact O-CD1 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.3Å; L287-L300 HydrophobicContact CD1-CD1 3.82Å; L287-A305 HydrophobicContact CD1-CB 4.37Å; L287-H308 HydrophobicContact CD1-CB 4.04Å; L287-F310 HydrophobicContact CD2-CB 4.16Å; L287-F310 HydrophobicContact CD2-CD1 3.63Å; L287-F310 HydrophobicContact CD2-CE1 4.46Å; L287-F310 HydrophobicContact CD2-CG 4.23Å; L287-F311 HydrophobicContact CD2-CE2 3.65Å; L287-F311 HydrophobicContact CD2-CZ 3.74Å
288V98.8Very high97.8Very high0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-57.2-46.9175.3174.80000111.3L218 A219 L222 W272 F276 A284 I285 Q286 Q290 L291 L292L218-V288 HydrophobicContact CB-CG2 4.38Å; L218-V288 HydrophobicContact CD2-CG2 3.54Å; L218-V288 HydrophobicContact CG-CG2 3.62Å; A219-V288 HydrophobicContact CB-CG1 4.24Å; A219-V288 HydrophobicContact CB-CG2 4.46Å; L222-V288 HydrophobicContact CD1-CG2 4.01Å; W272-V288 HydrophobicContact CE3-CG1 4.24Å; W272-V288 HydrophobicContact CH2-CG1 3.76Å; W272-V288 HydrophobicContact CZ2-CG1 4.45Å; W272-V288 HydrophobicContact CZ3-CG1 3.63Å; F276-V288 HydrophobicContact CE2-CB 4.4Å; F276-V288 HydrophobicContact CE2-CG1 4.31Å; F276-V288 HydrophobicContact CE2-CG2 4.48Å; F276-V288 HydrophobicContact CZ-CB 4.26Å; F276-V288 HydrophobicContact CZ-CG1 3.97Å; F276-V288 HydrophobicContact CZ-CG2 4.01Å; A284-V288 WeakPolarHBondContact O-CG2 3.37Å; A284-V288 PolarHBondContact O-N 3.24Å; I285-V288 PolarHBondContact O-N 2.71Å; Q286-V288 VanDerWaalsContact C-N 3.33Å; Q286-V288 PolarHBondContact O-N 2.97Å; V288-Q290 PolarHBondContact O-N 2.71Å; V288-L291 PolarHBondContact O-N 3.14Å; V288-L291 VanDerWaalsContact O-N 3.08Å; V288-L292 HydrophobicContact CG1-CD1 3.62Å; V288-L292 HydrophobicContact CG1-CG 4.15Å; V288-L292 PolarHBondContact O-N 3.24Å
289S98.2Very high98Very high37 Ų3745.4 Ų45.426%0.25923%0.23SC..Hα-helixtrans-66.2-25.4-177.174.70000113.4I285 Q286 L287I285-S289 PolarHBondContact O-N 3.14Å; Q286-S289 PolarHBondContact O-N 2.9Å; Q286-S289 PolarHBondContact O-OG 3.42Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3Å
290Q98.6Very high98.3Very high63 Ų6335.9 Ų35.929%0.29420%0.197SC..Hα-helixtrans-84.9-13175.9-69177.1-3800113.6Q286 L287 V288 R299 L300 H308Q286-Q290 WeakPolarHBondContact O-CG 3.3Å; Q286-Q290 PolarHBondContact O-N 2.88Å; L287-Q290 PolarHBondContact O-N 2.97Å; V288-Q290 PolarHBondContact O-N 2.71Å; Q290-R299 WeakPolarHBondContact O-CA 3.31Å; Q290-L300 HydrophobicContact CB-CD1 3.64Å; Q290-L300 HydrophobicContact CB-CG 3.88Å; Q290-L300 HydrophobicContact CG-CD1 4.45Å; Q290-L300 PolarHBondContact O-N 2.94Å; Q290-L300 VanDerWaalsContact O-N 3.12Å; Q290-H308 PolarHBondContact OE1-CD2 2.8Å; Q290-H308 PolarHBondContact OE1-NE2 2.87Å; Q290-H308 VanDerWaalsContact OE1-NE2 3.14Å
291L98.8Very high98.4Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-97.1-37.8175.9-63.8165.2000111.7F137 V211 L218 L287 V288 D293 R299 L300 A305F137-L291 HydrophobicContact CE1-CD1 4.35Å; F137-L291 HydrophobicContact CE1-CD2 3.86Å; F137-L291 HydrophobicContact CE2-CD1 4.4Å; F137-L291 HydrophobicContact CZ-CD1 3.57Å; F137-L291 HydrophobicContact CZ-CD2 3.85Å; F137-L291 HydrophobicContact CZ-CG 4.38Å; V211-L291 HydrophobicContact CG1-CD2 3.48Å; V211-L291 VanDerWaalsContact CG1-CD2 3.48Å; L218-L291 HydrophobicContact CD2-CD1 4.02Å; L287-L291 HydrophobicContact CD1-CD1 3.92Å; L287-L291 HydrophobicContact CD1-CG 4.14Å; L287-L291 HydrophobicContact CG-CD1 3.85Å; L287-L291 WeakPolarHBondContact O-CD1 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.3Å; V288-L291 PolarHBondContact O-N 3.14Å; V288-L291 VanDerWaalsContact O-N 3.08Å; L291-D293 PolarHBondContact O-N 2.83Å; L291-R299 WeakPolarHBondContact O-CD 3.32Å; L291-R299 WeakPolarHBondContact O-CG 3.34Å; L291-L300 HydrophobicContact CD2-CB 4.23Å; L291-A305 HydrophobicContact CD2-CB 4.48Å
292L98.8Very high98.4Very high3 Ų337.6 Ų37.62%0.01620%0.2CC..SBendtrans-94.564.4-177.7-62.3-176.9000111.4W212 A219 I227 F228 L244 W272 V288W212-L292 HydrophobicContact CD2-CD2 3.74Å; W212-L292 HydrophobicContact CE3-CB 4.47Å; W212-L292 HydrophobicContact CE3-CD2 3.89Å; W212-L292 HydrophobicContact CG-CD2 4.2Å; W212-L292 HydrophobicContact CH2-CD2 4.37Å; W212-L292 HydrophobicContact CZ2-CD2 4.22Å; W212-L292 HydrophobicContact CZ3-CB 4.19Å; W212-L292 HydrophobicContact CZ3-CD2 4.22Å; W212-L292 WeakPolarHBondContact O-CD2 3.46Å; A219-L292 HydrophobicContact CB-CD1 4.5Å; I227-L292 HydrophobicContact CD1-CD1 4.28Å; F228-L292 HydrophobicContact CE2-CD1 3.9Å; F228-L292 HydrophobicContact CE2-CD2 4.29Å; F228-L292 HydrophobicContact CZ-CD1 4.02Å; L244-L292 WeakPolarHBondContact CD1-O 3.18Å; L244-L292 WeakPolarHBondContact CD2-O 3.47Å; W272-L292 HydrophobicContact CH2-CB 3.98Å; W272-L292 HydrophobicContact CH2-CD1 3.75Å; W272-L292 HydrophobicContact CH2-CG 4.46Å; W272-L292 HydrophobicContact CZ2-CB 4.07Å; W272-L292 HydrophobicContact CZ3-CD1 4.45Å; V288-L292 HydrophobicContact CG1-CD1 3.62Å; V288-L292 HydrophobicContact CG1-CG 4.15Å; V288-L292 PolarHBondContact O-N 3.24Å
293D98.6Very high98.4Very high39 Ų3935 Ų3521%0.20918%0.18CC..  trans-108.1141.4173.4-160.6-57.8000110.6L291 T295 K298 R299L291-D293 PolarHBondContact O-N 2.83Å; D293-T295 VanDerWaalsContact C-N 3.35Å; D293-T295 PolarHBondContact OD1-N 3.02Å; D293-K298 HydrophobicContact CB-CB 4.46Å; D293-R299 HydrophobicContact CB-CG 4.17Å; D293-R299 PolarHBondContact O-NE 3.23Å; D293-R299 PolarHBondContact O-NH2 3.03Å; D293-R299 VanDerWaalsContact O-NH2 3.14Å
294Y98.4Very high98.4Very high4 Ų434.5 Ų34.52%0.01618%0.18CC..SBendtrans-61-43.8174.2-76.3-60.1000111.6P196 I240 I241 L244 G245 P247 M255 P296P196-Y294 HydrophobicContact CB-CD1 4.07Å; P196-Y294 HydrophobicContact CB-CE1 4.27Å; P196-Y294 HydrophobicContact CG-CD1 3.9Å; P196-Y294 HydrophobicContact CG-CE1 4.47Å; I240-Y294 HydrophobicContact CG2-CE1 3.65Å; I241-Y294 WeakPolarHBondContact CG1-OH 3.36Å; L244-Y294 HydrophobicContact CB-CD2 4.3Å; L244-Y294 HydrophobicContact CB-CE2 3.52Å; L244-Y294 HydrophobicContact CD1-CD1 4.43Å; L244-Y294 HydrophobicContact CD1-CD2 4.26Å; L244-Y294 HydrophobicContact CD1-CE1 4.23Å; L244-Y294 HydrophobicContact CD1-CE2 4.07Å; L244-Y294 HydrophobicContact CD1-CG 4.44Å; L244-Y294 HydrophobicContact CG-CE2 4.46Å; G245-Y294 WeakPolarHBondContact O-CE2 3.32Å; G245-Y294 PolarHBondContact O-OH 3.18Å; P247-Y294 HydrophobicContact CB-CD1 4.19Å; P247-Y294 HydrophobicContact CB-CD2 3.81Å; P247-Y294 HydrophobicContact CB-CE1 4.16Å; P247-Y294 HydrophobicContact CB-CE2 3.77Å; P247-Y294 HydrophobicContact CB-CG 4.03Å; P247-Y294 HydrophobicContact CG-CE1 4.36Å; P247-Y294 HydrophobicContact CG-CE2 4.44Å; M255-Y294 HydrophobicContact CE-CD1 3.89Å; M255-Y294 HydrophobicContact CE-CG 4.33Å; M255-Y294 WeakPolarHBondContact CG-O 3.41Å; M255-Y294 HydrophobicContact SD-CD1 3.72Å; M255-Y294 HydrophobicContact SD-CG 4.35Å; Y294-P296 WeakPolarHBondContact O-CD 3.45Å
295T98.5Very high98.4Very high6 Ų634.5 Ų34.54%0.03718%0.18CC..SBendtrans-75.1111-179.3-62.60000109.4E254 D293 S297 K298E254-T295 HydrophobicContact CB-CG2 3.96Å; E254-T295 HydrophobicContact CG-CG2 3.88Å; D293-T295 VanDerWaalsContact C-N 3.35Å; D293-T295 PolarHBondContact OD1-N 3.02Å; T295-S297 VanDerWaalsContact C-N 3.26Å; T295-S297 VanDerWaalsContact CG2-OG 3.25Å; T295-S297 WeakPolarHBondContact CG2-OG 3.2Å; T295-S297 PolarHBondContact O-N 3.1Å; T295-K298 HydrophobicContact CG2-CB 4.28Å; T295-K298 HydrophobicContact CG2-CD 4.05Å; T295-K298 HydrophobicContact CG2-CG 3.74Å; T295-K298 PolarHBondContact O-N 3.16Å
296P98.6Very high98.3Very high15 Ų1533.6 Ų33.610%0.09718%0.175CC..G310 helixtrans-59.6-35.6-172.5-25.236.1000113.5E197 Q208 Y294 K298 R299E197-P296 HydrophobicContact CG-CG 4.42Å; Q208-P296 HydrophobicContact CB-CB 4.16Å; Q208-P296 WeakPolarHBondContact CG-O 3.48Å; Q208-P296 PolarHBondContact NE2-O 3.15Å; Y294-P296 WeakPolarHBondContact O-CD 3.45Å; P296-K298 PolarHBondContact O-N 2.98Å; P296-R299 PolarHBondContact O-N 3.39Å
297S97.9Very high98.2Very high88 Ų8831.6 Ų31.662%0.61517%0.168SC*.G310 helixtrans-70.3-13.3178.858.30000114.4T295T295-S297 VanDerWaalsContact C-N 3.26Å; T295-S297 VanDerWaalsContact CG2-OG 3.25Å; T295-S297 WeakPolarHBondContact CG2-OG 3.2Å; T295-S297 PolarHBondContact O-N 3.1Å
298K98.4Very high98.2Very high133 Ų13332.5 Ų32.558%0.57817%0.172SC*.G310 helixtrans-91.6-13.2176.1-71.4-175.6-175.2170.50113.8D293 T295 P296D293-K298 HydrophobicContact CB-CB 4.46Å; T295-K298 HydrophobicContact CG2-CB 4.28Å; T295-K298 HydrophobicContact CG2-CD 4.05Å; T295-K298 HydrophobicContact CG2-CG 3.74Å; T295-K298 PolarHBondContact O-N 3.16Å; P296-K298 PolarHBondContact O-N 2.98Å
299R98.8Very high98.1Very high6 Ų634.9 Ų34.92%0.02319%0.188CC..SBendtrans-68.7142.3178.4-54.8178-170144.98.4109.5E197 Q208 V211 Q290 L291 D293 P296 E301E197-R299 IonicContact OE1-CZ 2.77Å; E197-R299 IonicContact OE1-NH1 3.75Å; E197-R299 PolarHBondContact OE1-NH1 3.05Å; E197-R299 IonicContact OE1-NH2 3.7Å; E197-R299 PolarHBondContact OE1-NH2 2.96Å; E197-R299 IonicContact OE2-CZ 2.72Å; E197-R299 IonicContact OE2-NH1 3.73Å; E197-R299 IonicContact OE2-NH2 3.27Å; E197-R299 PolarHBondContact OE2-NH2 2.92Å; Q208-R299 PolarHBondContact NE2-O 2.95Å; Q208-R299 PolarHBondContact O-NH1 2.87Å; V211-R299 HydrophobicContact CG1-CB 3.87Å; Q290-R299 WeakPolarHBondContact O-CA 3.31Å; L291-R299 WeakPolarHBondContact O-CD 3.32Å; L291-R299 WeakPolarHBondContact O-CG 3.34Å; D293-R299 HydrophobicContact CB-CG 4.17Å; D293-R299 PolarHBondContact O-NE 3.23Å; D293-R299 PolarHBondContact O-NH2 3.03Å; D293-R299 VanDerWaalsContact O-NH2 3.14Å; P296-R299 PolarHBondContact O-N 3.39Å; R299-E301 PolarHBondContact O-N 3.32Å
300L98.3Very high98.1Very high37 Ų3733.3 Ų33.319%0.19418%0.176CC..PPolyproline II helixtrans-58.1132.6175.2-76.3172000111.3V211 L287 Q290 L291 D304 A305V211-L300 WeakPolarHBondContact CG1-O 3.42Å; L287-L300 HydrophobicContact CD1-CD1 3.82Å; Q290-L300 HydrophobicContact CB-CD1 3.64Å; Q290-L300 HydrophobicContact CB-CG 3.88Å; Q290-L300 HydrophobicContact CG-CD1 4.45Å; Q290-L300 PolarHBondContact O-N 2.94Å; Q290-L300 VanDerWaalsContact O-N 3.12Å; L291-L300 HydrophobicContact CD2-CB 4.23Å; L300-D304 HydrophobicContact CD2-CB 3.96Å; L300-A305 HydrophobicContact CB-CB 4.41Å
301E98Very high98.1Very high92 Ų9230.3 Ų30.343%0.4316%0.162SC..PPolyproline II helixtrans-62.7149.1166.4-68.2-66.5153.600110R299 L303 D304 A305R299-E301 PolarHBondContact O-N 3.32Å; E301-L303 VanDerWaalsContact C-N 3.26Å; E301-L303 PolarHBondContact O-N 2.88Å; E301-L303 VanDerWaalsContact O-N 3.15Å; E301-D304 PolarHBondContact O-N 2.9Å; E301-A305 PolarHBondContact O-N 3.48Å
302P98.4Very high98Very high3 Ų333.8 Ų33.82%0.01918%0.181CC..Hα-helixtrans-56.5-35.7-176-25.532.1000114.5F137 L140 A141 H144 V211 A305 C306F137-P302 HydrophobicContact CB-CB 4.43Å; F137-P302 HydrophobicContact CD1-CB 4.4Å; F137-P302 VanDerWaalsContact O-CB 3.31Å; F137-P302 WeakPolarHBondContact O-CB 3.25Å; L140-P302 HydrophobicContact CB-CB 3.91Å; L140-P302 HydrophobicContact CB-CG 3.82Å; A141-P302 HydrophobicContact CB-CB 3.98Å; H144-P302 WeakPolarHBondContact ND1-CG 3.48Å; V211-P302 HydrophobicContact CG2-CG 4.06Å; P302-A305 PolarHBondContact O-N 2.72Å; P302-C306 PolarHBondContact O-N 2.96Å
303L97.1Very high97.9Very high25 Ų2536.6 Ų36.613%0.13119%0.194CC..Hα-helixtrans-67.2-39.3175.1-77.9-176.2000112.2A141 E301 A305 C306 L307 M340 R341 M344 F347A141-L303 HydrophobicContact CB-CD2 3.61Å; A141-L303 HydrophobicContact CB-CG 3.69Å; E301-L303 VanDerWaalsContact C-N 3.26Å; E301-L303 PolarHBondContact O-N 2.88Å; E301-L303 VanDerWaalsContact O-N 3.15Å; L303-A305 VanDerWaalsContact C-N 3.35Å; L303-C306 WeakPolarHBondContact O-CB 3.34Å; L303-C306 PolarHBondContact O-N 2.85Å; L303-L307 PolarHBondContact O-N 3.01Å; L303-M340 HydrophobicContact CD1-CB 4.01Å; L303-R341 HydrophobicContact CD1-CB 4.42Å; L303-M344 HydrophobicContact CD1-SD 3.9Å; L303-M344 HydrophobicContact CD2-CE 4.23Å; L303-M344 HydrophobicContact CD2-SD 4.17Å; L303-F347 HydrophobicContact CB-CE1 4.24Å; L303-F347 HydrophobicContact CB-CZ 3.84Å; L303-F347 HydrophobicContact CD2-CE1 3.83Å; L303-F347 HydrophobicContact CD2-CZ 3.86Å; L303-F347 HydrophobicContact CG-CZ 4.3Å; L303-F347 WeakPolarHBondContact O-CE1 3.48Å; L303-F347 WeakPolarHBondContact O-CZ 3.39Å
304D97.5Very high97.8Very high62 Ų6234.9 Ų34.933%0.33219%0.185SC..Hα-helixtrans-70.1-35.5176.1-64.5-42.3000111.4L300 E301 C306 L307 H308 R341L300-D304 HydrophobicContact CD2-CB 3.96Å; E301-D304 PolarHBondContact O-N 2.9Å; D304-C306 VanDerWaalsContact C-N 3.34Å; D304-C306 PolarHBondContact O-N 2.77Å; D304-L307 PolarHBondContact O-N 3.3Å; D304-L307 VanDerWaalsContact O-N 3.11Å; D304-H308 PolarHBondContact O-N 2.91Å; D304-R341 IonicContact OD1-CZ 3.44Å; D304-R341 IonicContact OD1-NH1 2.72Å; D304-R341 PolarHBondContact OD1-NH1 3.24Å
305A98.4Very high97.6Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-58.6-44.7169.900000111.3F137 L287 L291 L300 E301 P302 L303 L307 H308 F311F137-A305 HydrophobicContact CB-CB 4.41Å; F137-A305 HydrophobicContact CD1-CB 3.79Å; F137-A305 HydrophobicContact CD2-CB 3.79Å; F137-A305 HydrophobicContact CE1-CB 3.97Å; F137-A305 HydrophobicContact CE2-CB 3.98Å; F137-A305 HydrophobicContact CG-CB 3.73Å; F137-A305 HydrophobicContact CZ-CB 4.08Å; L287-A305 HydrophobicContact CD1-CB 4.37Å; L291-A305 HydrophobicContact CD2-CB 4.48Å; L300-A305 HydrophobicContact CB-CB 4.41Å; E301-A305 PolarHBondContact O-N 3.48Å; P302-A305 PolarHBondContact O-N 2.72Å; L303-A305 VanDerWaalsContact C-N 3.35Å; A305-L307 PolarHBondContact O-N 3.35Å; A305-H308 WeakPolarHBondContact O-CB 3.36Å; A305-H308 PolarHBondContact O-N 3.27Å; A305-F311 WeakPolarHBondContact O-CD2 3.17Å; A305-F311 WeakPolarHBondContact O-CE2 3.47Å
306C97.6Very high97.4Very high2 Ų241.3 Ų41.31%0.01421%0.214CC..Hα-helixtrans-59.2-27.7174.9-82.20000114Y134 F137 P302 L303 D304 R315 F347Y134-C306 HydrophobicContact CD2-CB 4.26Å; Y134-C306 HydrophobicContact CE2-CB 3.87Å; Y134-C306 WeakPolarHBondContact CE2-O 3.44Å; F137-C306 VanDerWaalsContact CB-SG 3.51Å; P302-C306 PolarHBondContact O-N 2.96Å; L303-C306 WeakPolarHBondContact O-CB 3.34Å; L303-C306 PolarHBondContact O-N 2.85Å; D304-C306 VanDerWaalsContact C-N 3.34Å; D304-C306 PolarHBondContact O-N 2.77Å; C306-R315 PolarHBondContact O-NH1 2.93Å; C306-F347 HydrophobicContact CB-CD1 4.09Å; C306-F347 HydrophobicContact CB-CE1 3.75Å
307L96.3Very high97Very high49 Ų4947.8 Ų47.826%0.25724%0.242SC..Hα-helixtrans-86.9-6.8175.4-68.3177.4000113.8L303 D304 A305 R341 K346 F347L303-L307 PolarHBondContact O-N 3.01Å; D304-L307 PolarHBondContact O-N 3.3Å; D304-L307 VanDerWaalsContact O-N 3.11Å; A305-L307 PolarHBondContact O-N 3.35Å; L307-R341 VanDerWaalsContact CD1-NH2 3.28Å; L307-K346 HydrophobicContact CD2-CB 4.29Å; L307-F347 HydrophobicContact CD1-CE1 4.15Å; L307-F347 HydrophobicContact CD1-CE2 3.88Å; L307-F347 HydrophobicContact CD1-CZ 3.62Å; L307-F347 HydrophobicContact CD2-CD1 3.75Å; L307-F347 HydrophobicContact CD2-CD2 4.08Å; L307-F347 HydrophobicContact CD2-CE1 3.83Å; L307-F347 HydrophobicContact CD2-CE2 4.17Å; L307-F347 HydrophobicContact CD2-CG 3.88Å; L307-F347 HydrophobicContact CD2-CZ 4.02Å; L307-F347 HydrophobicContact CG-CD1 4.03Å; L307-F347 HydrophobicContact CG-CE1 3.56Å; L307-F347 HydrophobicContact CG-CE2 4.11Å; L307-F347 HydrophobicContact CG-CG 4.48Å; L307-F347 HydrophobicContact CG-CZ 3.58Å
308H98Very high96.7Very high18 Ų1846.3 Ų46.38%0.08324%0.241CC..SBendtrans-58.1142.6179.8-166.5-87.4000111.6E283 L287 Q290 D304 A305 F310 F311 R315E283-H308 PolarHBondContact O-CE1 3.44Å; L287-H308 HydrophobicContact CD1-CB 4.04Å; Q290-H308 PolarHBondContact OE1-CD2 2.8Å; Q290-H308 PolarHBondContact OE1-NE2 2.87Å; Q290-H308 VanDerWaalsContact OE1-NE2 3.14Å; D304-H308 PolarHBondContact O-N 2.91Å; A305-H308 WeakPolarHBondContact O-CB 3.36Å; A305-H308 PolarHBondContact O-N 3.27Å; H308-F310 VanDerWaalsContact ND1-CB 3.35Å; H308-F310 WeakPolarHBondContact ND1-CB 3.45Å; H308-F310 PolarHBondContact ND1-N 3.48Å; H308-F310 VanDerWaalsContact ND1-N 3.18Å; H308-F310 PolarHBondContact O-N 2.93Å; H308-F310 VanDerWaalsContact O-N 3.07Å; H308-F311 HydrophobicContact CB-CD2 4.25Å; H308-F311 HydrophobicContact CB-CE2 4.5Å; H308-F311 PolarHBondContact O-N 2.94Å; H308-R315 PolarHBondContact O-NH2 3.29Å
309C97.3Very high96.6Very high51 Ų5141 Ų4135%0.34522%0.22SC..G310 helixtrans-60.1-23.1-175.958.80000113.5F311 D312C309-F311 PolarHBondContact O-N 3.18Å; C309-F311 VanDerWaalsContact O-N 3.09Å; C309-D312 WeakPolarHBondContact CA-OD2 3.48Å; C309-D312 WeakPolarHBondContact CB-OD2 3.2Å; C309-D312 WeakPolarHBondContact O-CB 3.43Å; C309-D312 VanDerWaalsContact O-CG 3.31Å; C309-D312 PolarHBondContact O-N 2.88Å
310F98.4Very high96.5Very high3 Ų346.9 Ų46.91%0.01324%0.242CC..G310 helixtrans-51.7-31.9170.7-179.2-120.8000112.8L126 V129 K130 L218 E283 A284 L287 H308L126-F310 HydrophobicContact CD1-CE2 3.93Å; L126-F310 HydrophobicContact CD1-CZ 4.03Å; L126-F310 HydrophobicContact CD2-CE2 4.41Å; L126-F310 HydrophobicContact CG-CE2 4.26Å; L126-F310 HydrophobicContact CG-CZ 4.48Å; V129-F310 HydrophobicContact CG1-CZ 4.27Å; K130-F310 HydrophobicContact CB-CE1 4.46Å; K130-F310 HydrophobicContact CD-CE2 4.42Å; K130-F310 HydrophobicContact CD-CZ 4.5Å; K130-F310 VanDerWaalsContact CD-O 3.29Å; K130-F310 WeakPolarHBondContact CD-O 3.4Å; K130-F310 WeakPolarHBondContact CE-O 3.42Å; K130-F310 HydrophobicContact CG-CD1 4.24Å; K130-F310 HydrophobicContact CG-CD2 4.41Å; K130-F310 HydrophobicContact CG-CE1 3.7Å; K130-F310 HydrophobicContact CG-CE2 3.86Å; K130-F310 HydrophobicContact CG-CZ 3.49Å; K130-F310 VanDerWaalsContact CG-CZ 3.49Å; K130-F310 PolarHBondContact NZ-O 3.18Å; L218-F310 HydrophobicContact CD1-CE1 4.16Å; E283-F310 HydrophobicContact CB-CB 4.13Å; E283-F310 HydrophobicContact CB-CD2 4.39Å; A284-F310 HydrophobicContact CB-CD2 3.7Å; A284-F310 HydrophobicContact CB-CE2 3.43Å; A284-F310 VanDerWaalsContact CB-CE2 3.43Å; A284-F310 HydrophobicContact CB-CZ 4.03Å; L287-F310 HydrophobicContact CD2-CB 4.16Å; L287-F310 HydrophobicContact CD2-CD1 3.63Å; L287-F310 HydrophobicContact CD2-CE1 4.46Å; L287-F310 HydrophobicContact CD2-CG 4.23Å; H308-F310 VanDerWaalsContact ND1-CB 3.35Å; H308-F310 WeakPolarHBondContact ND1-CB 3.45Å; H308-F310 PolarHBondContact ND1-N 3.48Å; H308-F310 VanDerWaalsContact ND1-N 3.18Å; H308-F310 PolarHBondContact O-N 2.93Å; H308-F310 VanDerWaalsContact O-N 3.07Å
311F98Very high96.4Very high0 Ų045.4 Ų45.40%023%0.234CC..G310 helixtrans-93.53.4-179.3-58.4-63.1000114.4K130 M133 Y134 F137 L287 A305 H308 C309 E313 L314K130-F311 HydrophobicContact CB-CD1 4.19Å; K130-F311 VanDerWaalsContact O-CE1 3.23Å; K130-F311 WeakPolarHBondContact O-CE1 3.42Å; M133-F311 HydrophobicContact CB-CE1 4.01Å; M133-F311 HydrophobicContact CB-CZ 3.94Å; Y134-F311 HydrophobicContact CD2-CB 4.07Å; Y134-F311 HydrophobicContact CD2-CD1 4.19Å; Y134-F311 HydrophobicContact CD2-CD2 4.31Å; Y134-F311 AromaticContact CD2-CG 3.93Å; Y134-F311 HydrophobicContact CD2-CG 3.93Å; Y134-F311 HydrophobicContact CG-CD1 4.5Å; F137-F311 HydrophobicContact CD2-CE2 4.08Å; F137-F311 AromaticContact CD2-CZ 3.9Å; F137-F311 HydrophobicContact CD2-CZ 3.9Å; F137-F311 HydrophobicContact CE2-CE2 4.29Å; F137-F311 AromaticContact CE2-CZ 3.98Å; F137-F311 HydrophobicContact CE2-CZ 3.98Å; L287-F311 HydrophobicContact CD2-CE2 3.65Å; L287-F311 HydrophobicContact CD2-CZ 3.74Å; A305-F311 WeakPolarHBondContact O-CD2 3.17Å; A305-F311 WeakPolarHBondContact O-CE2 3.47Å; H308-F311 HydrophobicContact CB-CD2 4.25Å; H308-F311 HydrophobicContact CB-CE2 4.5Å; H308-F311 PolarHBondContact O-N 2.94Å; C309-F311 PolarHBondContact O-N 3.18Å; C309-F311 VanDerWaalsContact O-N 3.09Å; F311-E313 VanDerWaalsContact C-N 3.27Å; F311-E313 PolarHBondContact O-N 2.82Å; F311-L314 HydrophobicContact CB-CD1 4.29Å; F311-L314 HydrophobicContact CD1-CD1 3.94Å; F311-L314 VanDerWaalsContact O-CB 3.29Å; F311-L314 WeakPolarHBondContact O-CB 3.46Å; F311-L314 PolarHBondContact O-N 3Å
312D96.3Very high96.1Very high73 Ų7345.3 Ų45.339%0.3924%0.242SC..Hα-helixtrans-60.6-34.8-175.3-73-15.9000113.3C309 L314 R315 Q316C309-D312 WeakPolarHBondContact CA-OD2 3.48Å; C309-D312 WeakPolarHBondContact CB-OD2 3.2Å; C309-D312 WeakPolarHBondContact O-CB 3.43Å; C309-D312 VanDerWaalsContact O-CG 3.31Å; C309-D312 PolarHBondContact O-N 2.88Å; D312-L314 PolarHBondContact O-N 3.46Å; D312-R315 WeakPolarHBondContact O-CB 3.06Å; D312-R315 PolarHBondContact O-N 3.49Å; D312-R315 IonicContact OD1-CZ 2.7Å; D312-R315 IonicContact OD1-NE 2.72Å; D312-R315 PolarHBondContact OD1-NE 3.26Å; D312-R315 IonicContact OD1-NH2 2.61Å; D312-R315 PolarHBondContact OD1-NH2 3.44Å; D312-Q316 PolarHBondContact O-N 2.93Å
313E96.8Very high95.8Very high62 Ų6249 Ų4929%0.2926%0.261SS..Hα-helixtrans-55.5-33.1174.1-175.4-177.2-176.700112.4K130 F311 R315 Q316 T319K130-E313 HydrophobicContact CD-CB 4.28Å; K130-E313 WeakPolarHBondContact CD-OE2 3.47Å; K130-E313 WeakPolarHBondContact CE-OE2 3.41Å; K130-E313 IonicContact NZ-OE2 2.74Å; K130-E313 PolarHBondContact NZ-OE2 3.12Å; F311-E313 VanDerWaalsContact C-N 3.27Å; F311-E313 PolarHBondContact O-N 2.82Å; E313-R315 PolarHBondContact O-N 2.87Å; E313-Q316 PolarHBondContact O-N 3.43Å; E313-T319 HydrophobicContact CG-CG2 4.13Å; E313-T319 WeakPolarHBondContact O-CB 3.23Å; E313-T319 PolarHBondContact O-OG1 2.93Å
314L96.7Very high95.7Very high3 Ų354.4 Ų54.42%0.01629%0.29CS..Hα-helixtrans-69.6-25.7178.9-55.6-176.1000112.3L127 K130 L131 Y134 F311 D312 L327 L330 F331L127-L314 HydrophobicContact CD1-CD2 3.8Å; K130-L314 HydrophobicContact CB-CD1 4.16Å; K130-L314 HydrophobicContact CB-CD2 4.03Å; K130-L314 HydrophobicContact CB-CG 4.2Å; L131-L314 HydrophobicContact CD2-CD2 3.86Å; L131-L314 HydrophobicContact CG-CD2 3.97Å; Y134-L314 HydrophobicContact CD2-CD1 4.19Å; Y134-L314 HydrophobicContact CG-CD1 3.92Å; F311-L314 HydrophobicContact CB-CD1 4.29Å; F311-L314 HydrophobicContact CD1-CD1 3.94Å; F311-L314 VanDerWaalsContact O-CB 3.29Å; F311-L314 WeakPolarHBondContact O-CB 3.46Å; F311-L314 PolarHBondContact O-N 3Å; D312-L314 PolarHBondContact O-N 3.46Å; L314-L327 HydrophobicContact CD2-CD1 4.36Å; L314-L330 HydrophobicContact CB-CD1 3.82Å; L314-L330 HydrophobicContact CD1-CD1 4.06Å; L314-L330 HydrophobicContact CD2-CD1 4.4Å; L314-L330 HydrophobicContact CG-CD1 4.32Å; L314-F331 HydrophobicContact CB-CZ 4.48Å; L314-F331 WeakPolarHBondContact O-CE2 3.22Å; L314-F331 WeakPolarHBondContact O-CZ 3.33Å
315R94.8Very high95.6Very high27 Ų2757.6 Ų57.610%0.10230%0.298CS..Hα-helixtrans-89.7-11179-71.6177.4-82.7-93.23.9113C306 H308 D312 E313 F331C306-R315 PolarHBondContact O-NH1 2.93Å; H308-R315 PolarHBondContact O-NH2 3.29Å; D312-R315 WeakPolarHBondContact O-CB 3.06Å; D312-R315 PolarHBondContact O-N 3.49Å; D312-R315 IonicContact OD1-CZ 2.7Å; D312-R315 IonicContact OD1-NE 2.72Å; D312-R315 PolarHBondContact OD1-NE 3.26Å; D312-R315 IonicContact OD1-NH2 2.61Å; D312-R315 PolarHBondContact OD1-NH2 3.44Å; E313-R315 PolarHBondContact O-N 2.87Å; R315-F331 HydrophobicContact CB-CZ 4.29Å; R315-F331 HydrophobicContact CG-CE1 3.68Å; R315-F331 HydrophobicContact CG-CZ 3.61Å
316Q93.7Very high95.4Very high119 Ų11962 Ų6256%0.55633%0.326SS*.SBendtrans-69.9133.9177.8-69.7174.212.800110.8D312 E313 G318 T319D312-Q316 PolarHBondContact O-N 2.93Å; E313-Q316 PolarHBondContact O-N 3.43Å; Q316-G318 PolarHBondContact O-N 2.9Å; Q316-T319 PolarHBondContact O-N 2.88Å; Q316-T319 PolarHBondContact O-OG1 2.94Å
317E89.5Confident95.4Very high150 Ų15063.4 Ų63.470%0.70133%0.333SS*.THydrogen-bonded Turntrans-66134174.3-66.5-161.4141.800110.5S351E317-S351 WeakPolarHBondContact OE1-CB 3.23Å; E317-S351 PolarHBondContact OE1-OG 3.18Å
318G92.2Very high95.4Very high57 Ų5761.6 Ų61.659%0.58832%0.324SS*.THydrogen-bonded Turntrans91.3-8.5179.900000114.9Q316 R320Q316-G318 PolarHBondContact O-N 2.9Å; G318-R320 VanDerWaalsContact O-CG 3.23Å; G318-R320 WeakPolarHBondContact O-CG 3.12Å; G318-R320 PolarHBondContact O-N 3.37Å
319T96Very high95.3Very high22 Ų2264.4 Ų64.414%0.13534%0.344CS..  trans-57.1132172-54.60000110.4L127 E313 Q316 L327L127-T319 HydrophobicContact CD1-CG2 4.11Å; E313-T319 HydrophobicContact CG-CG2 4.13Å; E313-T319 WeakPolarHBondContact O-CB 3.23Å; E313-T319 PolarHBondContact O-OG1 2.93Å; Q316-T319 PolarHBondContact O-N 2.88Å; Q316-T319 PolarHBondContact O-OG1 2.94Å; T319-L327 HydrophobicContact CG2-CD1 3.82Å; T319-L327 HydrophobicContact CG2-CD2 4.31Å; T319-L327 HydrophobicContact CG2-CG 4.39Å
320R96.7Very high95.2Very high129 Ų12962.1 Ų62.149%0.48733%0.329SS..BIsolated β-bridgetrans-134.7157.5-174.5-65.3-102.9-179.3-77.11.4109.7L127 G318 D324L127-R320 VanDerWaalsContact CD2-O 3.25Å; L127-R320 WeakPolarHBondContact CD2-O 3.12Å; G318-R320 VanDerWaalsContact O-CG 3.23Å; G318-R320 WeakPolarHBondContact O-CG 3.12Å; G318-R320 PolarHBondContact O-N 3.37Å; R320-D324 WeakPolarHBondContact CD-O 3.48Å
321L96.3Very high95Very high7 Ų763.4 Ų63.44%0.03733%0.334CS..  trans-65.6159.8169.1-65.2178.4000110.2F128 L131 A165 N323 D324 R325 L327F128-L321 HydrophobicContact CE1-CD2 4.25Å; L131-L321 HydrophobicContact CD1-CD2 3.5Å; A165-L321 HydrophobicContact CB-CD1 4.24Å; A165-L321 HydrophobicContact CB-CD2 3.79Å; L321-N323 WeakPolarHBondContact CB-OD1 3.15Å; L321-N323 PolarHBondContact O-N 3.07Å; L321-D324 PolarHBondContact O-N 3.34Å; L321-R325 HydrophobicContact CB-CB 4.46Å; L321-R325 HydrophobicContact CD1-CB 4.16Å; L321-R325 PolarHBondContact N-O 3.17Å; L321-L327 HydrophobicContact CD2-CD2 3.8Å; L321-L327 HydrophobicContact CG-CD2 4.13Å
322P92.9Very high94.7Very high90 Ų9066.6 Ų66.658%0.58435%0.351SS*.THydrogen-bonded Turntrans-60.4-12179.7-2636.1000115.6F128F128-P322 HydrophobicContact CE2-CG 3.93Å; F128-P322 HydrophobicContact CZ-CG 3.99Å
323N91.7Very high94.5Very high80 Ų8064.5 Ų64.543%0.42834%0.34SS..THydrogen-bonded Turntrans-102.622.8175.662.9-0.3000112.5L321 R325L321-N323 WeakPolarHBondContact CB-OD1 3.15Å; L321-N323 PolarHBondContact O-N 3.07Å; N323-R325 PolarHBondContact O-N 2.94Å; N323-R325 VanDerWaalsContact OD1-CB 3.31Å; N323-R325 WeakPolarHBondContact OD1-CB 3.49Å; N323-R325 WeakPolarHBondContact OD1-CG 3.5Å; N323-R325 PolarHBondContact OD1-N 3.31Å
324D94.1Very high94.2Very high138 Ų13863.1 Ų63.174%0.73834%0.336SS*.SBendtrans59.18.6-178.1-62.8-43.5000115.8R320 L321R320-D324 WeakPolarHBondContact CD-O 3.48Å; L321-D324 PolarHBondContact O-N 3.34Å
325R95Very high94Very high130 Ų13068.5 Ų68.549%0.49137%0.371SS..PPolyproline II helixtrans-73.7152.6172.2-66.5-174.8-179.2-177.9-4110.7A163 L321 N323A163-R325 PolarHBondContact O-NH1 3.26Å; A163-R325 VanDerWaalsContact O-NH1 3.16Å; L321-R325 HydrophobicContact CB-CB 4.46Å; L321-R325 HydrophobicContact CD1-CB 4.16Å; L321-R325 PolarHBondContact N-O 3.17Å; N323-R325 PolarHBondContact O-N 2.94Å; N323-R325 VanDerWaalsContact OD1-CB 3.31Å; N323-R325 WeakPolarHBondContact OD1-CB 3.49Å; N323-R325 WeakPolarHBondContact OD1-CG 3.5Å; N323-R325 PolarHBondContact OD1-N 3.31Å
326P95.7Very high94Very high91 Ų9170.7 Ų70.759%0.59138%0.38SS*.BIsolated β-bridgetrans-60.5152.8171.427.3-35.2000111.1
327L97.2Very high94.1Very high32 Ų3265.1 Ų65.117%0.16835%0.354CS..PPolyproline II helixtrans-59.2153.9168.4-59.8-173.5000110.4L131 L314 T319 L321 L330L131-L327 HydrophobicContact CD1-CD2 4.24Å; L131-L327 HydrophobicContact CD2-CD2 4.31Å; L314-L327 HydrophobicContact CD2-CD1 4.36Å; T319-L327 HydrophobicContact CG2-CD1 3.82Å; T319-L327 HydrophobicContact CG2-CD2 4.31Å; T319-L327 HydrophobicContact CG2-CG 4.39Å; L321-L327 HydrophobicContact CD2-CD2 3.8Å; L321-L327 HydrophobicContact CG-CD2 4.13Å; L327-L330 HydrophobicContact CD1-CD1 4.18Å
328P97Very high94.2Very high11 Ų1162.4 Ų62.47%0.07134%0.342CS..PPolyproline II helixtrans-57.7162.5169.426.1-34.7000110.9L131 V166 L330L131-P328 HydrophobicContact CD2-CG 3.99Å; V166-P328 HydrophobicContact CG2-CB 3.69Å; P328-L330 HydrophobicContact CG-CD2 4.09Å; P328-L330 WeakPolarHBondContact O-CG 3.4Å; P328-L330 PolarHBondContact O-N 2.94Å
329P94.2Very high94.3Very high77 Ų7764 Ų6450%0.534%0.341SS..  trans-66.6104.8177.430-35.4000109.7N332P329-N332 VanDerWaalsContact C-OD1 3.27Å; P329-N332 HydrophobicContact CB-CB 4.29Å; P329-N332 PolarHBondContact O-OD1 2.89Å
330L95.8Very high94.2Very high4 Ų464 Ų642%0.02134%0.34CS..  trans-96.3-33-179.3-61.9179.2000112.5L131 Y134 Q135 R138 L314 L327 P328L131-L330 HydrophobicContact CD2-CD1 3.9Å; L131-L330 HydrophobicContact CD2-CD2 4.1Å; L131-L330 HydrophobicContact CD2-CG 4.47Å; Y134-L330 HydrophobicContact CD1-CD2 3.96Å; Y134-L330 HydrophobicContact CE1-CB 4.01Å; Y134-L330 HydrophobicContact CE1-CD2 4.27Å; Q135-L330 HydrophobicContact CG-CD2 3.89Å; R138-L330 PolarHBondContact NH1-O 3.02Å; L314-L330 HydrophobicContact CB-CD1 3.82Å; L314-L330 HydrophobicContact CD1-CD1 4.06Å; L314-L330 HydrophobicContact CD2-CD1 4.4Å; L314-L330 HydrophobicContact CG-CD1 4.32Å; L327-L330 HydrophobicContact CD1-CD1 4.18Å; P328-L330 HydrophobicContact CG-CD2 4.09Å; P328-L330 WeakPolarHBondContact O-CG 3.4Å; P328-L330 PolarHBondContact O-N 2.94Å
331F94.1Very high94Very high29 Ų2961 Ų6113%0.12733%0.328CS..SBendtrans-111.816.9-169.8-45.4-62.8000113.1L314 R315 L333 F347 L348 P349L314-F331 HydrophobicContact CB-CZ 4.48Å; L314-F331 WeakPolarHBondContact O-CE2 3.22Å; L314-F331 WeakPolarHBondContact O-CZ 3.33Å; R315-F331 HydrophobicContact CB-CZ 4.29Å; R315-F331 HydrophobicContact CG-CE1 3.68Å; R315-F331 HydrophobicContact CG-CZ 3.61Å; F331-L333 PolarHBondContact O-N 3.3Å; F331-L333 VanDerWaalsContact O-N 3.12Å; F331-F347 WeakPolarHBondContact CD1-O 3.29Å; F331-L348 HydrophobicContact CB-CD2 4.17Å; F331-L348 WeakPolarHBondContact O-CD2 3.46Å; F331-P349 HydrophobicContact CB-CG 4.46Å; F331-P349 HydrophobicContact CD2-CG 3.42Å; F331-P349 VanDerWaalsContact CD2-CG 3.42Å; F331-P349 HydrophobicContact CE2-CG 3.7Å; F331-P349 HydrophobicContact CG-CG 3.88Å; F331-P349 HydrophobicContact CZ-CG 4.37Å
332N92.7Very high93.8Very high67 Ų6768.6 Ų68.636%0.35837%0.369SS..  trans-82.965.1171.863.1-41.1000109.7R138 P329 T334R138-N332 PolarHBondContact NH1-OD1 2.76Å; R138-N332 PolarHBondContact NH2-O 2.92Å; P329-N332 VanDerWaalsContact C-OD1 3.27Å; P329-N332 HydrophobicContact CB-CB 4.29Å; P329-N332 PolarHBondContact O-OD1 2.89Å; N332-T334 PolarHBondContact O-N 2.99Å
333L91.9Very high93.7Very high30 Ų3065.8 Ų65.816%0.15735%0.349CS..  trans-60.3128.2180-57.8178.5000109.9F331 E337 M338 M344 F347 L348F331-L333 PolarHBondContact O-N 3.3Å; F331-L333 VanDerWaalsContact O-N 3.12Å; L333-E337 HydrophobicContact CB-CB 4.48Å; L333-M338 HydrophobicContact CB-CG 4.28Å; L333-M338 HydrophobicContact CB-SD 3.85Å; L333-M338 HydrophobicContact CD1-SD 3.66Å; L333-M338 HydrophobicContact CG-SD 4.43Å; L333-M344 HydrophobicContact CD1-CB 4.4Å; L333-M344 HydrophobicContact CD1-CE 3.97Å; L333-M344 WeakPolarHBondContact CD1-O 3.5Å; L333-M344 HydrophobicContact CD2-CE 4.05Å; L333-F347 HydrophobicContact CD1-CB 4.3Å; L333-L348 HydrophobicContact CD1-CD2 4.01Å; L333-L348 HydrophobicContact CD1-CG 4.47Å; L333-L348 HydrophobicContact CG-CD2 4.31Å
334T90.9Very high93.7Very high33 Ų3362.1 Ų62.120%0.20233%0.329CS..  trans-71.9157.5175.860.50000110.8N332 Y336 E337 M338N332-T334 PolarHBondContact O-N 2.99Å; T334-Y336 PolarHBondContact O-N 2.71Å; T334-Y336 VanDerWaalsContact O-N 3.16Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.23Å; T334-E337 PolarHBondContact N-OE2 3.26Å; T334-E337 PolarHBondContact O-N 3.21Å; T334-E337 WeakPolarHBondContact OG1-CB 3.46Å; T334-E337 VanDerWaalsContact OG1-CG 3.27Å; T334-E337 WeakPolarHBondContact OG1-CG 3.25Å; T334-E337 PolarHBondContact OG1-N 3.14Å; T334-E337 VanDerWaalsContact OG1-N 3.1Å; T334-E337 PolarHBondContact OG1-OE2 3.33Å; T334-M338 WeakPolarHBondContact O-CG 3.49Å; T334-M338 PolarHBondContact O-N 3.05Å
335P91.8Very high93.3Very high115 Ų11561.8 Ų61.875%0.74732%0.319SS*.THydrogen-bonded Turntrans-53.7-34.6173.2-27.735.8000113.3M338P335-M338 PolarHBondContact O-N 3.45Å
336Y94.8Very high92.9Very high73 Ų7360.6 Ų60.629%0.28632%0.317SS..THydrogen-bonded Turntrans-71-39.5175.4-174.5-100.9000112.7Y142 H145 K146 T334 M338 T339 M340Y142-Y336 AromaticContact CD2-CD1 3.76Å; Y142-Y336 HydrophobicContact CD2-CD1 3.76Å; Y142-Y336 HydrophobicContact CD2-CE1 4.13Å; Y142-Y336 AromaticContact CE2-CD1 3.4Å; Y142-Y336 HydrophobicContact CE2-CD1 3.4Å; Y142-Y336 VanDerWaalsContact CE2-CD1 3.4Å; Y142-Y336 AromaticContact CE2-CE1 3.92Å; Y142-Y336 HydrophobicContact CE2-CE1 3.92Å; Y142-Y336 HydrophobicContact CE2-CG 4.34Å; H145-Y336 AromaticContact CD2-CZ 3.74Å; H145-Y336 PolarHBondContact CD2-OH 3.33Å; K146-Y336 HydrophobicContact CD-CE1 4.38Å; K146-Y336 HydrophobicContact CG-CE1 4.01Å; K146-Y336 WeakPolarHBondContact CG-OH 3.42Å; K146-Y336 VanDerWaalsContact NZ-CZ 3.25Å; K146-Y336 PolarHBondContact NZ-OH 3.1Å; T334-Y336 PolarHBondContact O-N 2.71Å; T334-Y336 VanDerWaalsContact O-N 3.16Å; Y336-M338 PolarHBondContact O-N 3.32Å; Y336-T339 PolarHBondContact O-N 3.32Å; Y336-T339 VanDerWaalsContact O-N 3.15Å; Y336-T339 PolarHBondContact O-OG1 2.88Å; Y336-M340 HydrophobicContact CD1-CE 3.57Å; Y336-M340 HydrophobicContact CE1-CE 3.6Å
337E94.6Very high92.5Very high3 Ų356.4 Ų56.41%0.01429%0.289CS..G310 helixtrans-62-35.4172.5-75.7171.1102.700112H77 R138 Y142 L333 T334 T339 M340 M344H77-E337 IonicContact CD2-OE2 3.37Å; H77-E337 IonicContact NE2-OE1 3.84Å; H77-E337 PolarHBondContact NE2-OE1 2.85Å; H77-E337 IonicContact NE2-OE2 2.69Å; R138-E337 WeakPolarHBondContact CG-OE1 3.32Å; R138-E337 IonicContact CZ-OE1 3.06Å; R138-E337 IonicContact CZ-OE2 2.58Å; R138-E337 IonicContact NE-OE1 3.29Å; R138-E337 PolarHBondContact NE-OE1 3Å; R138-E337 IonicContact NE-OE2 3.52Å; R138-E337 IonicContact NH2-OE1 2.8Å; R138-E337 PolarHBondContact NH2-OE1 3.32Å; R138-E337 IonicContact NH2-OE2 3.97Å; R138-E337 PolarHBondContact NH2-OE2 3.18Å; Y142-E337 HydrophobicContact CD2-CG 4.41Å; L333-E337 HydrophobicContact CB-CB 4.48Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.23Å; T334-E337 PolarHBondContact N-OE2 3.26Å; T334-E337 PolarHBondContact O-N 3.21Å; T334-E337 WeakPolarHBondContact OG1-CB 3.46Å; T334-E337 VanDerWaalsContact OG1-CG 3.27Å; T334-E337 WeakPolarHBondContact OG1-CG 3.25Å; T334-E337 PolarHBondContact OG1-N 3.14Å; T334-E337 VanDerWaalsContact OG1-N 3.1Å; T334-E337 PolarHBondContact OG1-OE2 3.33Å; E337-T339 PolarHBondContact O-N 3.06Å; E337-M340 HydrophobicContact CB-CE 4.29Å; E337-M340 HydrophobicContact CB-SD 4.3Å; E337-M340 HydrophobicContact CG-CE 3.78Å; E337-M340 HydrophobicContact CG-SD 4.11Å; E337-M340 WeakPolarHBondContact O-CB 3.48Å; E337-M340 WeakPolarHBondContact O-CG 3.22Å; E337-M340 PolarHBondContact O-N 3.12Å; E337-M344 HydrophobicContact CB-CE 4.3Å; E337-M344 WeakPolarHBondContact O-CE 3.39Å; E337-M344 WeakPolarHBondContact O-CG 3.41Å
338M93.3Very high91.9Very high93 Ų9356.9 Ų56.946%0.45829%0.292SS..G310 helixtrans-64.1-18.2176.7-66-64.3-67.500113.4L333 T334 P335 Y336 M344L333-M338 HydrophobicContact CB-CG 4.28Å; L333-M338 HydrophobicContact CB-SD 3.85Å; L333-M338 HydrophobicContact CD1-SD 3.66Å; L333-M338 HydrophobicContact CG-SD 4.43Å; T334-M338 WeakPolarHBondContact O-CG 3.49Å; T334-M338 PolarHBondContact O-N 3.05Å; P335-M338 PolarHBondContact O-N 3.45Å; Y336-M338 PolarHBondContact O-N 3.32Å; M338-M344 HydrophobicContact CE-CB 4.38Å; M338-M344 HydrophobicContact SD-CB 3.93Å
339T94.1Very high91.2Very high91 Ų9157 Ų5756%0.55829%0.293SS*.G310 helixtrans-88.7-5.9174.971.40000113.5Y336 E337 R341Y336-T339 PolarHBondContact O-N 3.32Å; Y336-T339 VanDerWaalsContact O-N 3.15Å; Y336-T339 PolarHBondContact O-OG1 2.88Å; E337-T339 PolarHBondContact O-N 3.06Å; T339-R341 VanDerWaalsContact C-N 3.32Å; T339-R341 PolarHBondContact O-N 3.36Å
340M94.4Very high90.4Very high22 Ų2257.6 Ų57.611%0.10830%0.296CS..SBendtrans-70.3-30.4-173.5-64.9-179.518000113Y142 H145 L303 Y336 E337 M344Y142-M340 HydrophobicContact CD2-CE 3.75Å; Y142-M340 HydrophobicContact CG-CE 4.24Å; H145-M340 HydrophobicContact CB-CE 4.1Å; H145-M340 HydrophobicContact CB-CG 3.98Å; H145-M340 HydrophobicContact CB-SD 4.16Å; L303-M340 HydrophobicContact CD1-CB 4.01Å; Y336-M340 HydrophobicContact CD1-CE 3.57Å; Y336-M340 HydrophobicContact CE1-CE 3.6Å; E337-M340 HydrophobicContact CB-CE 4.29Å; E337-M340 HydrophobicContact CB-SD 4.3Å; E337-M340 HydrophobicContact CG-CE 3.78Å; E337-M340 HydrophobicContact CG-SD 4.11Å; E337-M340 WeakPolarHBondContact O-CB 3.48Å; E337-M340 WeakPolarHBondContact O-CG 3.22Å; E337-M340 PolarHBondContact O-N 3.12Å; M340-M344 HydrophobicContact CB-SD 4.42Å
341R92.6Very high89.3Confident65 Ų6560 Ų6025%0.24531%0.313CS..  trans-159.8153.3-178.1-155.4166.366.3164.819110.4L303 D304 L307 T339 D343 M344L303-R341 HydrophobicContact CD1-CB 4.42Å; D304-R341 IonicContact OD1-CZ 3.44Å; D304-R341 IonicContact OD1-NH1 2.72Å; D304-R341 PolarHBondContact OD1-NH1 3.24Å; L307-R341 VanDerWaalsContact CD1-NH2 3.28Å; T339-R341 VanDerWaalsContact C-N 3.32Å; T339-R341 PolarHBondContact O-N 3.36Å; R341-D343 VanDerWaalsContact C-N 3.26Å; R341-D343 WeakPolarHBondContact CD-OD1 3.31Å; R341-D343 WeakPolarHBondContact CG-OD1 3.37Å; R341-D343 IonicContact CZ-OD1 2.91Å; R341-D343 IonicContact CZ-OD2 3.85Å; R341-D343 IonicContact NE-OD1 3.32Å; R341-D343 PolarHBondContact NE-OD1 2.9Å; R341-D343 IonicContact NE-OD2 3.29Å; R341-D343 IonicContact NH2-OD1 3.26Å; R341-D343 PolarHBondContact NH2-OD1 3.15Å; R341-D343 IonicContact NH2-OD2 3.7Å; R341-D343 PolarHBondContact NH2-OD2 3.19Å; R341-D343 PolarHBondContact O-N 2.97Å; R341-M344 HydrophobicContact CB-CG 4.25Å; R341-M344 HydrophobicContact CB-SD 4.25Å; R341-M344 WeakPolarHBondContact O-CG 3.35Å
342D90.6Very high88.1Confident167 Ų16766.7 Ų66.789%0.89334%0.338SS*.THydrogen-bonded Turntrans-70.3-21.8-177.7-64.3-29.2000113.8
343D91.8Very high86.5Confident30 Ų3066.9 Ų66.916%0.1634%0.342CS..THydrogen-bonded Turntrans-107.427.6-175.473.1-7.4000113.7R341 Y345 K346R341-D343 VanDerWaalsContact C-N 3.26Å; R341-D343 WeakPolarHBondContact CD-OD1 3.31Å; R341-D343 WeakPolarHBondContact CG-OD1 3.37Å; R341-D343 IonicContact CZ-OD1 2.91Å; R341-D343 IonicContact CZ-OD2 3.85Å; R341-D343 IonicContact NE-OD1 3.32Å; R341-D343 PolarHBondContact NE-OD1 2.9Å; R341-D343 IonicContact NE-OD2 3.29Å; R341-D343 IonicContact NH2-OD1 3.26Å; R341-D343 PolarHBondContact NH2-OD1 3.15Å; R341-D343 IonicContact NH2-OD2 3.7Å; R341-D343 PolarHBondContact NH2-OD2 3.19Å; R341-D343 PolarHBondContact O-N 2.97Å; D343-Y345 VanDerWaalsContact CA-CE1 3.49Å; D343-Y345 HydrophobicContact CB-CD1 4.47Å; D343-Y345 HydrophobicContact CB-CE1 3.85Å; D343-Y345 PolarHBondContact O-N 3Å; D343-K346 HydrophobicContact CB-CD 3.98Å; D343-K346 HydrophobicContact CB-CG 4.24Å; D343-K346 WeakPolarHBondContact O-CB 3.47Å; D343-K346 WeakPolarHBondContact O-CG 3.37Å; D343-K346 PolarHBondContact O-N 3.42Å; D343-K346 WeakPolarHBondContact OD2-CD 3.16Å; D343-K346 WeakPolarHBondContact OD2-CE 3.35Å; D343-K346 IonicContact OD2-NZ 2.62Å; D343-K346 PolarHBondContact OD2-NZ 3.08Å
344M90.9Very high84.6Confident3 Ų370 Ų702%0.01537%0.366CS..G310 helixtrans-56.3-19.1176.1-72.8-61.2-61.400113.5L303 L333 E337 M338 M340 R341 K346 F347L303-M344 HydrophobicContact CD1-SD 3.9Å; L303-M344 HydrophobicContact CD2-CE 4.23Å; L303-M344 HydrophobicContact CD2-SD 4.17Å; L333-M344 HydrophobicContact CD1-CB 4.4Å; L333-M344 HydrophobicContact CD1-CE 3.97Å; L333-M344 WeakPolarHBondContact CD1-O 3.5Å; L333-M344 HydrophobicContact CD2-CE 4.05Å; E337-M344 HydrophobicContact CB-CE 4.3Å; E337-M344 WeakPolarHBondContact O-CE 3.39Å; E337-M344 WeakPolarHBondContact O-CG 3.41Å; M338-M344 HydrophobicContact CE-CB 4.38Å; M338-M344 HydrophobicContact SD-CB 3.93Å; M340-M344 HydrophobicContact CB-SD 4.42Å; R341-M344 HydrophobicContact CB-CG 4.25Å; R341-M344 HydrophobicContact CB-SD 4.25Å; R341-M344 WeakPolarHBondContact O-CG 3.35Å; M344-K346 PolarHBondContact O-N 2.91Å; M344-F347 HydrophobicContact CE-CD2 4.21Å; M344-F347 HydrophobicContact CE-CE2 4.39Å; M344-F347 VanDerWaalsContact O-CD2 3.31Å; M344-F347 WeakPolarHBondContact O-CD2 3.34Å; M344-F347 PolarHBondContact O-N 3.18Å; M344-F347 HydrophobicContact SD-CD2 4.05Å; M344-F347 HydrophobicContact SD-CE2 3.76Å; M344-F347 HydrophobicContact SD-CZ 4.34Å
345Y85Confident82.1Confident132 Ų13272.1 Ų72.152%0.51840%0.395SS..G310 helixtrans-62-25.217263.9-95.5000113.5D343 F347 L348D343-Y345 VanDerWaalsContact CA-CE1 3.49Å; D343-Y345 HydrophobicContact CB-CD1 4.47Å; D343-Y345 HydrophobicContact CB-CE1 3.85Å; D343-Y345 PolarHBondContact O-N 3Å; Y345-F347 PolarHBondContact O-N 3.27Å; Y345-L348 WeakPolarHBondContact O-CB 3.39Å; Y345-L348 PolarHBondContact O-N 3.28Å
346K87.9Confident79.4Confident105 Ų10569.4 Ų69.446%0.45739%0.387SS..G310 helixtrans-66-16.6178-67-178.7-175.6162.70113.6L307 D343 M344 L348L307-K346 HydrophobicContact CD2-CB 4.29Å; D343-K346 HydrophobicContact CB-CD 3.98Å; D343-K346 HydrophobicContact CB-CG 4.24Å; D343-K346 WeakPolarHBondContact O-CB 3.47Å; D343-K346 WeakPolarHBondContact O-CG 3.37Å; D343-K346 PolarHBondContact O-N 3.42Å; D343-K346 WeakPolarHBondContact OD2-CD 3.16Å; D343-K346 WeakPolarHBondContact OD2-CE 3.35Å; D343-K346 IonicContact OD2-NZ 2.62Å; D343-K346 PolarHBondContact OD2-NZ 3.08Å; M344-K346 PolarHBondContact O-N 2.91Å; K346-L348 VanDerWaalsContact C-N 3.32Å
347F86.8Confident76.3Confident3 Ų370 Ų701%0.01342%0.416CS..G310 helixtrans-83-14.3179.4-64.9-102.2000112.4L303 C306 L307 F331 L333 M344 Y345L303-F347 HydrophobicContact CB-CE1 4.24Å; L303-F347 HydrophobicContact CB-CZ 3.84Å; L303-F347 HydrophobicContact CD2-CE1 3.83Å; L303-F347 HydrophobicContact CD2-CZ 3.86Å; L303-F347 HydrophobicContact CG-CZ 4.3Å; L303-F347 WeakPolarHBondContact O-CE1 3.48Å; L303-F347 WeakPolarHBondContact O-CZ 3.39Å; C306-F347 HydrophobicContact CB-CD1 4.09Å; C306-F347 HydrophobicContact CB-CE1 3.75Å; L307-F347 HydrophobicContact CD1-CE1 4.15Å; L307-F347 HydrophobicContact CD1-CE2 3.88Å; L307-F347 HydrophobicContact CD1-CZ 3.62Å; L307-F347 HydrophobicContact CD2-CD1 3.75Å; L307-F347 HydrophobicContact CD2-CD2 4.08Å; L307-F347 HydrophobicContact CD2-CE1 3.83Å; L307-F347 HydrophobicContact CD2-CE2 4.17Å; L307-F347 HydrophobicContact CD2-CG 3.88Å; L307-F347 HydrophobicContact CD2-CZ 4.02Å; L307-F347 HydrophobicContact CG-CD1 4.03Å; L307-F347 HydrophobicContact CG-CE1 3.56Å; L307-F347 HydrophobicContact CG-CE2 4.11Å; L307-F347 HydrophobicContact CG-CG 4.48Å; L307-F347 HydrophobicContact CG-CZ 3.58Å; F331-F347 WeakPolarHBondContact CD1-O 3.29Å; L333-F347 HydrophobicContact CD1-CB 4.3Å; M344-F347 HydrophobicContact CE-CD2 4.21Å; M344-F347 HydrophobicContact CE-CE2 4.39Å; M344-F347 VanDerWaalsContact O-CD2 3.31Å; M344-F347 WeakPolarHBondContact O-CD2 3.34Å; M344-F347 PolarHBondContact O-N 3.18Å; M344-F347 HydrophobicContact SD-CD2 4.05Å; M344-F347 HydrophobicContact SD-CE2 3.76Å; M344-F347 HydrophobicContact SD-CZ 4.34Å; Y345-F347 PolarHBondContact O-N 3.27Å
348L84.9Confident73.1Confident41 Ų4173.5 Ų73.522%0.21545%0.453CS..SBendtrans-79.7149.8-179.7-58.8177.9000111F331 L333 Y345 K346 R352 T353F331-L348 HydrophobicContact CB-CD2 4.17Å; F331-L348 WeakPolarHBondContact O-CD2 3.46Å; L333-L348 HydrophobicContact CD1-CD2 4.01Å; L333-L348 HydrophobicContact CD1-CG 4.47Å; L333-L348 HydrophobicContact CG-CD2 4.31Å; Y345-L348 WeakPolarHBondContact O-CB 3.39Å; Y345-L348 PolarHBondContact O-N 3.28Å; K346-L348 VanDerWaalsContact C-N 3.32Å; L348-R352 HydrophobicContact CB-CB 4.32Å; L348-T353 HydrophobicContact CB-CG2 4.05Å
349P81.9Confident70.2Confident14 Ų1475.1 Ų75.19%0.09147%0.467CS..  trans-57.9148.9171.1-22.833.2000111.3F331 S351 R352F331-P349 HydrophobicContact CB-CG 4.46Å; F331-P349 HydrophobicContact CD2-CG 3.42Å; F331-P349 VanDerWaalsContact CD2-CG 3.42Å; F331-P349 HydrophobicContact CE2-CG 3.7Å; F331-P349 HydrophobicContact CG-CG 3.88Å; F331-P349 HydrophobicContact CZ-CG 4.37Å; P349-S351 PolarHBondContact O-N 3.23Å; P349-S351 VanDerWaalsContact O-N 3.11Å; P349-R352 PolarHBondContact O-N 2.99Å
350P77.7Confident67Low89 Ų8974.8 Ų74.858%0.57847%0.469SS*.Hα-helixtrans-51.1-41.3-177.6-27.233.5000113.5R352 T353 S354P350-R352 PolarHBondContact O-N 3.4Å; P350-T353 PolarHBondContact O-N 3.46Å; P350-T353 PolarHBondContact O-OG1 3.01Å; P350-S354 PolarHBondContact O-N 3.43Å; P350-S354 VanDerWaalsContact O-N 3.11Å; P350-S354 PolarHBondContact O-OG 3.05Å; P350-S354 VanDerWaalsContact O-OG 3.1Å
351S73.3Confident64Low54 Ų5483.4 Ų83.438%0.37851%0.509SS..Hα-helixtrans-62.1-23.1-179.854.20000115.1E317 P349E317-S351 WeakPolarHBondContact OE1-CB 3.23Å; E317-S351 PolarHBondContact OE1-OG 3.18Å; P349-S351 PolarHBondContact O-N 3.23Å; P349-S351 VanDerWaalsContact O-N 3.11Å
352R68.1Low60.9Low170 Ų17084.6 Ų84.664%0.64253%0.527SS*.Hα-helixtrans-87.5-17.6173.9-67.4-166.6177.1-163.4-2.7113.2L348 P349 P350L348-R352 HydrophobicContact CB-CB 4.32Å; P349-R352 PolarHBondContact O-N 2.99Å; P350-R352 PolarHBondContact O-N 3.4Å
353T60.3Low57.9Low72 Ų7281.7 Ų81.744%0.44252%0.52SS..Hα-helixtrans-89.6-26.8177.864.30000112.6L348 P350 G355L348-T353 HydrophobicContact CB-CG2 4.05Å; P350-T353 PolarHBondContact O-N 3.46Å; P350-T353 PolarHBondContact O-OG1 3.01Å; T353-G355 VanDerWaalsContact C-N 3.31Å; T353-G355 PolarHBondContact O-N 3.26Å
354S50.8Low55Low95 Ų9588.1 Ų88.166%0.66455%0.553SS**SBendtrans-84.710.8-176.249.60000115.5P350P350-S354 PolarHBondContact O-N 3.43Å; P350-S354 VanDerWaalsContact O-N 3.11Å; P350-S354 PolarHBondContact O-OG 3.05Å; P350-S354 VanDerWaalsContact O-OG 3.1Å
355G39.2Very low52.1Low78 Ų7892.9 Ų92.980%0.80459%0.585SS**  trans-92.123.6178.800000115.6T353T353-G355 VanDerWaalsContact C-N 3.31Å; T353-G355 PolarHBondContact O-N 3.26Å
356G35.3Very low49.5Very low58 Ų5891.7 Ų91.760%0.59859%0.593SS**  trans-122.256.6-172.100000114.3
357G28.8Very low46.7Very low86 Ų8693.5 Ų93.589%0.88761%0.613SS**SBendtrans-93.1100.3157.900000109
358G27Very low43.9Very low76 Ų7697.2 Ų97.278%0.78464%0.639SS**  trans92.366.5173.300000115.2
359V32.6Very low41.2Very low126 Ų126102.9 Ų102.976%0.76467%0.67SS**  trans-87102.5154-175.60000106.6
360S27.3Very low38.8Very low84 Ų84109.9 Ų109.959%0.58771%0.706SS**  trans-55.9133.2165.148.30000109.6S362S360-S362 PolarHBondContact O-N 3.26Å
361E30.2Very low36.5Very low204 Ų204112.9 Ų112.995%0.95372%0.716SS**SBendtrans-67.153.8179.8-153.8171.6-150.400112.2
362S28.1Very low34.2Very low90 Ų90118.8 Ų118.863%0.62974%0.74SS**  trans-15465.5-176.267.50000111.3S360S360-S362 PolarHBondContact O-N 3.26Å
363S27.8Very low32.2Very low106 Ų106117.3 Ų117.374%0.74175%0.749SS**  trans-172.949155.541.30000111.1
364L30.6Very low30.6Very low164 Ų164122.1 Ų122.186%0.85977%0.767SS**PPolyproline II helixtrans-81.3124.8155.5-79.8155.5000106.6
365P30.4Very low29.4Very low104 Ų104126 Ų12668%0.67578%0.775SS**PPolyproline II helixtrans-63.2145.6166.329-30.6000107.9T367P365-T367 PolarHBondContact O-N 3.44Å
366P30.5Very low28.8Very low107 Ų107127.9 Ų127.970%0.69577%0.772SS**PPolyproline II helixtrans-59.8130.3-178.825.6-31.6000109.2S368P366-S368 PolarHBondContact O-N 2.83Å
367T29.1Very low28.3Very low142 Ų142132.4 Ų132.487%0.87178%0.778SS**SBendtrans-67.572.8167.137.30000109.3P365P365-T367 PolarHBondContact O-N 3.44Å
368S27.9Very low28.2Very low82 Ų82133.4 Ų133.457%0.57377%0.769SS**  trans-155.368.5172.2620000108.6P366P366-S368 PolarHBondContact O-N 2.83Å
369D29.3Very low28.2Very low159 Ų159137.2 Ų137.285%0.8577%0.766SS**  trans-176.654.6153.1-87.9-21.8000108.4L371D369-L371 PolarHBondContact O-N 3.1Å; D369-L371 VanDerWaalsContact O-N 3.1Å
370L29.5Very low27.9Very low162 Ų162140.1 Ų140.185%0.84877%0.771SS**  trans-77.185.2158.4-108.3119.6000106.6M372L370-M372 PolarHBondContact O-N 3.08Å; L370-M372 VanDerWaalsContact O-N 3.08Å
371L29.4Very low27.9Very low151 Ų151142.3 Ų142.379%0.79177%0.774SS**  trans-58.9112.7157.9-76.5168000106.6D369 V373D369-L371 PolarHBondContact O-N 3.1Å; D369-L371 VanDerWaalsContact O-N 3.1Å; L371-V373 PolarHBondContact O-N 3.19Å
372M25.4Very low27.6Very low179 Ų179138.2 Ų138.288%0.88276%0.764SS**  trans-50.2108.3168.8-69.2-170.815600108.3L370 E374L370-M372 PolarHBondContact O-N 3.08Å; L370-M372 VanDerWaalsContact O-N 3.08Å; M372-E374 VanDerWaalsContact C-N 3.3Å; M372-E374 PolarHBondContact O-N 3.33Å
373V27.4Very low27.6Very low138 Ų138138.7 Ų138.784%0.83676%0.759SS**  trans-69.999.3160.2178.10000104.8L371 Q375L371-V373 PolarHBondContact O-N 3.19Å; V373-Q375 PolarHBondContact O-N 3.05Å; V373-Q375 VanDerWaalsContact O-N 3.16Å
374E26.2Very low27.5Very low174 Ų174139 Ų13981%0.81376%0.756SS**PPolyproline II helixtrans-48.5121.9167.5-88.6-176.5136.300108.5M372M372-E374 VanDerWaalsContact C-N 3.3Å; M372-E374 PolarHBondContact O-N 3.33Å
375Q24.3Very low27.3Very low177 Ų177136.6 Ų136.683%0.82775%0.748SS**PPolyproline II helixtrans-57.5125.1162.9-71.3-173-19.100107.5V373 Q377V373-Q375 PolarHBondContact O-N 3.05Å; V373-Q375 VanDerWaalsContact O-N 3.16Å; Q375-Q377 PolarHBondContact O-N 3.36Å; Q375-Q377 VanDerWaalsContact O-N 3.1Å
376P27.2Very low27.1Very low116 Ų116136.1 Ų136.175%0.75375%0.747SS**PPolyproline II helixtrans-65.3119.5169.726.3-28.6000107.3
377Q25Very low26.8Very low153 Ų153137.8 Ų137.872%0.71575%0.748SS**  trans-45141168.1-72.1-90.2-35.500109.9Q375 H379Q375-Q377 PolarHBondContact O-N 3.36Å; Q375-Q377 VanDerWaalsContact O-N 3.1Å; Q377-H379 PolarHBondContact O-N 3.03Å
378P26Very low26.7Very low107 Ų107138 Ų13870%0.69574%0.744SS**  trans-68.2103.5178.128.2-30.8000108.4H380P378-H380 PolarHBondContact O-N 2.99Å
379H28Very low26.5Very low157 Ų157145.3 Ų145.373%0.72776%0.759SS**  trans-71.1111.3163.4-56.3-59.5000106.9Q377 I381Q377-H379 PolarHBondContact O-N 3.03Å; H379-I381 PolarHBondContact O-N 3.12Å
380H25.4Very low26.5Very low186 Ų186144.1 Ų144.186%0.86176%0.758SS**  trans-50.9102.3170.6-79-67.2000110.1P378P378-H380 PolarHBondContact O-N 2.99Å
381I27.1Very low26.5Very low130 Ų130140 Ų14067%0.66776%0.755SS**  trans-10098164.5-61.2175.9000105.7H379 D383H379-I381 PolarHBondContact O-N 3.12Å; I381-D383 PolarHBondContact O-N 3.27Å; I381-D383 VanDerWaalsContact O-N 3.13Å
382T25.1Very low26.6Very low119 Ų119142.3 Ų142.373%0.7376%0.761SS**  trans-69.1100.5164.3470000107.8T384T382-T384 PolarHBondContact O-N 2.91Å
383D27.7Very low26.7Very low100 Ų100140.8 Ų140.854%0.53576%0.757SS.*  trans-71.692.2168-86.8-13.9000108R67 I381R67-D383 IonicContact NH2-OD2 3.94Å; R67-D383 PolarHBondContact NH2-OD2 3.26Å; I381-D383 PolarHBondContact O-N 3.27Å; I381-D383 VanDerWaalsContact O-N 3.13Å
384T26.2Very low26.9Very low111 Ų111143.4 Ų143.468%0.68176%0.759SS**  trans-83.2111.2163.7-51.60000108.2T382 C386T382-T384 PolarHBondContact O-N 2.91Å; T384-C386 PolarHBondContact O-N 2.95Å
385V26.6Very low27Very low114 Ų114142.5 Ų142.569%0.69176%0.76SS**  trans-63111.8163.3175.50000107.2I387V385-I387 PolarHBondContact O-N 2.67Å
386C25.7Very low27.6Very low95 Ų95139.1 Ų139.164%0.64275%0.754SS**  trans-67.2101.7170.7-73.80000109.1T384T384-C386 PolarHBondContact O-N 2.95Å
387I25.2Very low27.6Very low142 Ų142138.9 Ų138.973%0.72876%0.755SS**  trans-74.6119.3153.1-61.4174.9000106V385 R389V385-I387 PolarHBondContact O-N 2.67Å; I387-R389 PolarHBondContact O-N 3.33Å
388D25.9Very low27.8Very low145 Ų145137.7 Ų137.778%0.77576%0.758SS**  trans-57111.8171.3-102.5-31.2000109.8
389R23.8Very low27.8Very low236 Ų236137.7 Ų137.789%0.89176%0.761SS**  trans-120.186.3157.5-77.9-170178.4-177.32.1108I387I387-R389 PolarHBondContact O-N 3.33Å
390T29.1Very low27.9Very low134 Ų134139.3 Ų139.382%0.82277%0.769SS**  trans-95.4124157.8500000108.1
391G30.3Very low27.8Very low76 Ų76134.5 Ų134.578%0.78477%0.769SS**  trans16867.1-179.800000112.4
392Q31.8Very low27.9Very low199 Ų199133.4 Ų133.493%0.9377%0.773SS**  trans-67.7133.8161.7-83.6-177.8-14.600109.6H394Q392-H394 PolarHBondContact O-N 2.82Å
393N27.4Very low27.9Very low148 Ų148137.9 Ų137.979%0.79178%0.782SS**  trans-14.8116.6162.7-71-27.1000116.1
394H30.3Very low27.8Very low192 Ų192141.2 Ų141.289%0.88980%0.799SS**  -162.1127.1126.1-89.5-56.1000109.6Q392Q392-H394 PolarHBondContact O-N 2.82Å
395N29.4Very low27.8Very low155 Ų155141.1 Ų141.183%0.82980%0.803SS**  trans-117.3165.8169-110.8-4.9000107.1
396P35.7Very low27.6Very low107 Ų107143.3 Ų143.370%0.69581%0.811SS**  cis-138.7160.3-32.534.4-16.7000113
397S28Very low27.7Very low111 Ų111144.4 Ų144.478%0.77682%0.82SS**  trans-171125.9143.431.10000113.6
398T28.7Very low27.7Very low128 Ų128144.1 Ų144.179%0.78582%0.815SS**  trans59.6117.1144.755.70000122.1
399S26Very low27.6Very low107 Ų107144.1 Ų144.175%0.74881%0.814SS**  trans57.6110.8140.565.80000119.8
400E30.2Very low27.7Very low191 Ų191142.6 Ų142.689%0.89381%0.808SS**  -177.7139.5102.4-97-177.8171.600109.8
401G24.6Very low27.4Very low85 Ų85141.7 Ų141.788%0.87680%0.797SS**  trans-84.5127.4-177.900000112
402S28.8Very low27Very low106 Ų106141.6 Ų141.674%0.74179%0.79SS**  trans-149.2120.3156.7600000110L404S402-L404 PolarHBondContact O-N 3.25Å
403K24.8Very low26.8Very low214 Ų214136.9 Ų136.993%0.9377%0.774SS**  trans-52.6125.1171.2-67.8170.8172.81790110
404L24.7Very low26.6Very low170 Ų170136 Ų13689%0.8977%0.768SS**  trans-104.8112.3164.9-82163.2000108.2S402S402-L404 PolarHBondContact O-N 3.25Å
405S26Very low26.4Very low108 Ų108129.7 Ų129.776%0.75575%0.749SS**  trans-78.3145.6172.651.30000111.1S407S405-S407 PolarHBondContact O-N 2.71Å
406D24.3Very low26.3Very low161 Ų161126.7 Ų126.786%0.86174%0.738SS**  trans-42.8121.3174.3-66.4-50.8000113.7
407S26Very low25.7Very low118 Ų118126.5 Ų126.583%0.82574%0.739SS**  trans-99.310216761.10000109.8S405S405-S407 PolarHBondContact O-N 2.71Å
408E25.9Very low25.8Very low136 Ų136129.7 Ų129.764%0.63674%0.742SS**  trans-45.5130172.3-58.8171.412900113.5R410E408-R410 VanDerWaalsContact C-N 3.31Å; E408-R410 HydrophobicContact CB-CG 4.14Å; E408-R410 PolarHBondContact O-N 3.31Å; E408-R410 IonicContact OE2-CZ 2.7Å; E408-R410 IonicContact OE2-NE 2.73Å; E408-R410 PolarHBondContact OE2-NE 3.29Å; E408-R410 IonicContact OE2-NH2 3.6Å; E408-R410 PolarHBondContact OE2-NH2 2.8Å
409I23.9Very low25.7Very low145 Ų145128.9 Ų128.974%0.74474%0.741SS**  trans-70.290.4162.8-63.4174.6000107.8L411I409-L411 HydrophobicContact CG2-CD1 4.41Å; I409-L411 PolarHBondContact O-N 2.58Å
410R25.2Very low25.6Very low203 Ų203129.3 Ų129.377%0.76674%0.744SS**  trans-80.7103.5172.9-69.4-175.3176.7-160.2-3.2110.1E408 A412E408-R410 VanDerWaalsContact C-N 3.31Å; E408-R410 HydrophobicContact CB-CG 4.14Å; E408-R410 PolarHBondContact O-N 3.31Å; E408-R410 IonicContact OE2-CZ 2.7Å; E408-R410 IonicContact OE2-NE 2.73Å; E408-R410 PolarHBondContact OE2-NE 3.29Å; E408-R410 IonicContact OE2-NH2 3.6Å; E408-R410 PolarHBondContact OE2-NH2 2.8Å; R410-A412 PolarHBondContact O-N 2.92Å
411L22.8Very low25.5Very low115 Ų115127.3 Ų127.360%0.60274%0.739SS**  trans-72.7108.1158.9-108.591.5000108.7I409I409-L411 HydrophobicContact CG2-CD1 4.41Å; I409-L411 PolarHBondContact O-N 2.58Å
412A23.6Very low25.4Very low75 Ų75131.5 Ų131.562%0.6274%0.742SS**  trans-136.1105.6160.800000108.4R410 I414R410-A412 PolarHBondContact O-N 2.92Å; A412-I414 HydrophobicContact CB-CG1 4.38Å; A412-I414 PolarHBondContact O-N 3.43Å
413V25.7Very low25.4Very low100 Ų100133 Ų13361%0.60674%0.74SS**  trans-74.3102.4164.1176.40000106.6
414I25Very low25.4Very low130 Ų130134.6 Ų134.667%0.66774%0.74SS**PPolyproline II helixtrans-85.1117177.1-64.9174.6000108.2A412A412-I414 HydrophobicContact CB-CG1 4.38Å; A412-I414 PolarHBondContact O-N 3.43Å
415A25.7Very low25.5Very low59 Ų59134.2 Ų134.249%0.48874%0.738SS.*PPolyproline II helixtrans-62.1145.7166.200000110.2S417A415-S417 PolarHBondContact O-N 3.14Å
416P26.3Very low25.5Very low92 Ų92134.9 Ų134.960%0.59774%0.738SS**PPolyproline II helixtrans-62.3125.2-171.823.5-31.5000111.7
417S24Very low25.6Very low102 Ų102132.6 Ų132.671%0.71373%0.734SS**PPolyproline II helixtrans-73.7123.317452.80000111A415A415-S417 PolarHBondContact O-N 3.14Å
418H29.3Very low25.8Very low179 Ų179134.6 Ų134.683%0.82974%0.736SS**  trans-137.9132.1153.9-86.5-66.7000111.3
419S27.2Very low25.9Very low111 Ų111135.6 Ų135.678%0.77675%0.745SS**  trans59.1110.7164.661.90000120
420S23.5Very low26.2Very low115 Ų115134 Ų13480%0.80475%0.747SS**  trans-50131.1157.8-35.80000112.4
421D27.3Very low26.3Very low150 Ų150131.5 Ų131.580%0.80275%0.749SS**  trans-142.2113.7150-89.2-36.9000109I423D421-I423 PolarHBondContact O-N 3.17Å
422N24Very low26.7Very low172 Ų172132.9 Ų132.992%0.9276%0.757SS**  trans-72.3108.3171.2-87-34.8000108.7
423I28.9Very low26.9Very low137 Ų137136.9 Ų136.970%0.70377%0.768SS**  trans-124.4112.5165.1-58.3-178.1000109.6D421 L425D421-I423 PolarHBondContact O-N 3.17Å; I423-L425 PolarHBondContact O-N 3.17Å
424R23.3Very low27.3Very low249 Ų249137.8 Ų137.894%0.9477%0.769SS**  trans-66.6111173.4-154.7179.7-166.7-176.43.1108.1
425L28.5Very low27.7Very low162 Ų162139.5 Ų139.585%0.84878%0.78SS**  trans-100.2112.4174.7-82.7163.4000110.2I423I423-L425 PolarHBondContact O-N 3.17Å
426T25.2Very low28.2Very low122 Ų122140.6 Ų140.675%0.74878%0.784SS**  trans-65.7136.2166.744.70000110.4N428T426-N428 PolarHBondContact O-N 3.11Å
427S26.4Very low28.9Very low113 Ų113139.7 Ų139.779%0.7978%0.78SS**  trans-54.8125.7172.750.60000112.1
428N30.2Very low29.8Very low160 Ų160141.9 Ų141.986%0.85678%0.784SS**  trans-135.3123.1153.8-100-14.7000109.8T426T426-N428 PolarHBondContact O-N 3.11Å
429N27Very low31Very low156 Ų156135.6 Ų135.683%0.83476%0.756SS**  trans-56.8130.4178.1-92.4-20.7000111.6
430S31.9Very low32.1Very low112 Ų112137.5 Ų137.578%0.78376%0.757SS**  trans-144.7100.2157.9-54.30000107.5N432S430-N432 PolarHBondContact O-N 3.21Å
431N26.4Very low33.6Very low151 Ų151134.6 Ų134.681%0.80773%0.732SS**  trans-60.6109.7172.7-79.4-18.8000109.5
432N31.3Very low35.2Very low144 Ų144130.4 Ų130.477%0.7771%0.713SS**  trans-131116.2153.1-91.3-23.1000107S430 D434S430-N432 PolarHBondContact O-N 3.21Å; N432-D434 VanDerWaalsContact C-N 3.32Å; N432-D434 PolarHBondContact O-N 3.27Å
433N27.7Very low37.2Very low158 Ų158127.9 Ų127.985%0.84570%0.696SS**  trans-64.589.4174.1-81.1-17.6000109.5N435N433-N435 PolarHBondContact O-N 3.2Å
434D34.6Very low38.8Very low119 Ų119128.1 Ų128.164%0.63669%0.694SS**  trans-79.694.1164-86.7-29.8000108.7N432 S436N432-D434 VanDerWaalsContact C-N 3.32Å; N432-D434 PolarHBondContact O-N 3.27Å; D434-S436 PolarHBondContact O-N 3.28Å
435N32.7Very low41Very low167 Ų167116.2 Ų116.289%0.89365%0.649SS**  trans-72.170.7162.9-85.1-13.9000109.4N433N433-N435 PolarHBondContact O-N 3.2Å
436S37.4Very low42.8Very low81 Ų81111 Ų11157%0.56662%0.62SS**  trans-88.1105.8145.659.30000106.2D434 N438D434-S436 PolarHBondContact O-N 3.28Å; S436-N438 PolarHBondContact O-N 2.93Å
437S40.4Very low44.9Very low74 Ų74108.9 Ų108.952%0.51760%0.603SS.*  trans-58.8105.5174.650.90000108.7I439S437-I439 VanDerWaalsContact C-N 3.34Å; S437-I439 PolarHBondContact O-N 3Å
438N43.1Very low46.7Very low148 Ų148105 Ų10579%0.79158%0.576SS**  trans-58.7105.5157.2-90.1-16000106S436 D440S436-N438 PolarHBondContact O-N 2.93Å; N438-D440 PolarHBondContact O-N 2.86Å; N438-D440 VanDerWaalsContact O-N 3.09Å
439I53.5Low48.3Very low47 Ų4797.3 Ų97.324%0.24154%0.535CS..  trans-73101.4176-61.2168.9000105.9K242 H270 S437 I441K242-I439 HydrophobicContact CB-CG2 4.23Å; K242-I439 HydrophobicContact CD-CB 4.45Å; K242-I439 HydrophobicContact CD-CG2 4.23Å; K242-I439 HydrophobicContact CG-CG2 4.33Å; H270-I439 WeakPolarHBondContact NE2-CG2 3.35Å; S437-I439 VanDerWaalsContact C-N 3.34Å; S437-I439 PolarHBondContact O-N 3Å; I439-I441 PolarHBondContact O-N 3.16Å
440D50.1Low50.3Low151 Ų15192.9 Ų92.981%0.80751%0.51SS*.PPolyproline II helixtrans-57.9131.8177.3-88-30.8000110.5N438N438-D440 PolarHBondContact O-N 2.86Å; N438-D440 VanDerWaalsContact O-N 3.09Å
441I55.8Low51.7Low53 Ų5394.7 Ų94.727%0.27251%0.506SS..PPolyproline II helixtrans-91126.9-176.5-34.2-178.1000108.3V238 K242 I439 Q443 L445 K446V238-I441 HydrophobicContact CG1-CG2 3.98Å; K242-I441 HydrophobicContact CD-CG1 4.2Å; K242-I441 VanDerWaalsContact NZ-CG1 3.29Å; I439-I441 PolarHBondContact O-N 3.16Å; I441-Q443 PolarHBondContact O-N 3.18Å; I441-Q443 VanDerWaalsContact O-N 3.12Å; I441-L445 HydrophobicContact CG2-CD2 4.34Å; I441-K446 HydrophobicContact CG2-CG 4.34Å
442P61.7Low53.3Low63 Ų6389.5 Ų89.541%0.40948%0.476SS..PPolyproline II helixtrans-62.5116.9161.4-16.730.4000107.8Q444 L445P442-Q444 PolarHBondContact O-N 3.07Å; P442-L445 WeakPolarHBondContact O-CB 3.07Å; P442-L445 PolarHBondContact O-N 3.18Å
443Q65.9Low54.7Low119 Ų11984.4 Ų84.456%0.55645%0.449SS*.Hα-helixtrans-49.2-34.8177-175.960.84000111.7I441 L445 K446 D447I441-Q443 PolarHBondContact O-N 3.18Å; I441-Q443 VanDerWaalsContact O-N 3.12Å; Q443-L445 PolarHBondContact O-N 2.94Å; Q443-L445 VanDerWaalsContact O-N 3.15Å; Q443-K446 PolarHBondContact O-N 2.74Å; Q443-D447 PolarHBondContact NE2-OD1 3.01Å; Q443-D447 VanDerWaalsContact O-CG 3.3Å; Q443-D447 PolarHBondContact O-N 3.44Å
444Q60.9Low56.1Low141 Ų14182.1 Ų82.166%0.65943%0.433SS*.Hα-helixtrans-51.5-34.8172.9-70.2-179.3-22.800114.6P442 S448P442-Q444 PolarHBondContact O-N 3.07Å; Q444-S448 VanDerWaalsContact O-CB 3.31Å; Q444-S448 WeakPolarHBondContact O-CB 3.29Å; Q444-S448 PolarHBondContact O-N 3.09Å; Q444-S448 PolarHBondContact O-OG 3.38Å
445L70.5Confident56.8Low0 Ų079.3 Ų79.30%042%0.423CS..Hα-helixtrans-68.2-46.8177.3-179.271.5000110.8V238 I241 F264 P265 I267 I441 P442 Q443 D447 S448 C449V238-L445 HydrophobicContact CB-CD2 4.27Å; V238-L445 HydrophobicContact CG1-CD2 3.73Å; V238-L445 HydrophobicContact CG1-CG 4.46Å; V238-L445 HydrophobicContact CG2-CD2 4.23Å; V238-L445 HydrophobicContact CG2-CG 4.17Å; I241-L445 HydrophobicContact CD1-CD1 4.34Å; I241-L445 HydrophobicContact CG2-CD1 4.18Å; I241-L445 HydrophobicContact CG2-CD2 4.14Å; F264-L445 HydrophobicContact CD1-CD1 4.49Å; P265-L445 HydrophobicContact CG-CD1 4.32Å; I267-L445 HydrophobicContact CD1-CB 4.16Å; I267-L445 HydrophobicContact CD1-CD1 3.69Å; I267-L445 HydrophobicContact CD1-CD2 3.47Å; I267-L445 VanDerWaalsContact CD1-CD2 3.47Å; I267-L445 HydrophobicContact CD1-CG 3.93Å; I441-L445 HydrophobicContact CG2-CD2 4.34Å; P442-L445 WeakPolarHBondContact O-CB 3.07Å; P442-L445 PolarHBondContact O-N 3.18Å; Q443-L445 PolarHBondContact O-N 2.94Å; Q443-L445 VanDerWaalsContact O-N 3.15Å; L445-D447 VanDerWaalsContact C-N 3.35Å; L445-D447 PolarHBondContact O-N 3.23Å; L445-S448 PolarHBondContact O-N 3.43Å; L445-C449 WeakPolarHBondContact O-CB 3.49Å; L445-C449 PolarHBondContact O-N 3.17Å; L445-C449 PolarHBondContact O-SG 3.24Å
446K65.6Low57.7Low53 Ų5376 Ų7623%0.2340%0.398CS..Hα-helixtrans-60.3-47.5177.9-81.7-169.6167.6-160.40111.1D235 V238 I441 Q443 S448 C449 H450D235-K446 VanDerWaalsContact OD1-CE 3.28Å; D235-K446 WeakPolarHBondContact OD1-CE 3.45Å; D235-K446 IonicContact OD1-NZ 3.02Å; D235-K446 PolarHBondContact OD1-NZ 2.82Å; V238-K446 HydrophobicContact CG1-CG 4.14Å; V238-K446 HydrophobicContact CG2-CG 4.22Å; I441-K446 HydrophobicContact CG2-CG 4.34Å; Q443-K446 PolarHBondContact O-N 2.74Å; K446-S448 PolarHBondContact O-N 2.95Å; K446-C449 PolarHBondContact O-N 2.96Å; K446-H450 PolarHBondContact O-N 3.26Å
447D69Low58Low76 Ų7678.3 Ų78.341%0.40640%0.404SS..Hα-helixtrans-61.5-45.4-179.2-57.2-17.9000110.7Q443 L445 C449 H450 E451Q443-D447 PolarHBondContact NE2-OD1 3.01Å; Q443-D447 VanDerWaalsContact O-CG 3.3Å; Q443-D447 PolarHBondContact O-N 3.44Å; L445-D447 VanDerWaalsContact C-N 3.35Å; L445-D447 PolarHBondContact O-N 3.23Å; D447-C449 PolarHBondContact O-N 3.44Å; D447-H450 PolarHBondContact O-N 3.09Å; D447-E451 PolarHBondContact O-N 2.75Å
448S64.6Low57.8Low31 Ų3181 Ų8122%0.21741%0.411CS..Hα-helixtrans-63.9-40.8178.3-560000112.6Q444 L445 K446 H450 E452Q444-S448 VanDerWaalsContact O-CB 3.31Å; Q444-S448 WeakPolarHBondContact O-CB 3.29Å; Q444-S448 PolarHBondContact O-N 3.09Å; Q444-S448 PolarHBondContact O-OG 3.38Å; L445-S448 PolarHBondContact O-N 3.43Å; K446-S448 PolarHBondContact O-N 2.95Å; S448-H450 VanDerWaalsContact C-N 3.34Å; S448-E452 VanDerWaalsContact O-CG 3.32Å; S448-E452 WeakPolarHBondContact O-CG 3.33Å; S448-E452 PolarHBondContact O-N 3.18Å
449C64.7Low57.3Low0 Ų081.2 Ų81.20%041%0.408CS..Hα-helixtrans-67.6-36.2177.6-62.30000111.6V234 V238 F264 L445 K446 D447 L453V234-C449 HydrophobicContact CG1-CB 3.26Å; V238-C449 HydrophobicContact CG2-CB 3.94Å; V238-C449 VanDerWaalsContact CG2-SG 3.56Å; F264-C449 HydrophobicContact CE1-CB 4.41Å; F264-C449 WeakPolarHBondContact CE1-SG 3.45Å; L445-C449 WeakPolarHBondContact O-CB 3.49Å; L445-C449 PolarHBondContact O-N 3.17Å; L445-C449 PolarHBondContact O-SG 3.24Å; K446-C449 PolarHBondContact O-N 2.96Å; D447-C449 PolarHBondContact O-N 3.44Å; C449-L453 PolarHBondContact O-N 3.42Å
450H68.3Low56.3Low63 Ų6381.6 Ų81.629%0.29242%0.423SS..Hα-helixtrans-68.3-49.9179.3-110.8-78.6000111.6V234 K446 D447 S448 E452 L453 E454V234-H450 HydrophobicContact CG1-CB 4.29Å; K446-H450 PolarHBondContact O-N 3.26Å; D447-H450 PolarHBondContact O-N 3.09Å; S448-H450 VanDerWaalsContact C-N 3.34Å; H450-E452 PolarHBondContact O-N 3.33Å; H450-L453 PolarHBondContact O-N 3.46Å; H450-E454 IonicContact CE1-OE1 2.68Å; H450-E454 PolarHBondContact CE1-OE1 2.95Å; H450-E454 IonicContact ND1-OE1 3.23Å; H450-E454 PolarHBondContact ND1-OE1 2.73Å; H450-E454 WeakPolarHBondContact O-CB 3.49Å; H450-E454 PolarHBondContact O-N 2.72Å
451E60.9Low55.4Low150 Ų15080.3 Ų80.370%0.70142%0.42SS*.Hα-helixtrans-54.4-38.2179.4-77.1-176.6169.600112D447 S455D447-E451 PolarHBondContact O-N 2.75Å; E451-S455 VanDerWaalsContact O-CB 3.23Å; E451-S455 WeakPolarHBondContact O-CB 2.88Å; E451-S455 PolarHBondContact O-N 3.17Å; E451-S455 PolarHBondContact O-OG 2.94Å
452E61Low54.1Low41 Ų4185 Ų8519%0.19245%0.446CS..Hα-helixtrans-81.4-35.6-175.3-72.7-92.2-158.200114.6F262 K263 S448 H450 S455F262-E452 WeakPolarHBondContact CA-OE1 3.37Å; F262-E452 HydrophobicContact CD1-CB 4.2Å; F262-E452 HydrophobicContact CD1-CG 3.87Å; F262-E452 HydrophobicContact CD2-CB 4.29Å; F262-E452 HydrophobicContact CD2-CG 4.31Å; F262-E452 HydrophobicContact CE1-CB 3.33Å; F262-E452 HydrophobicContact CE1-CG 3.46Å; F262-E452 VanDerWaalsContact CE1-CG 3.46Å; F262-E452 HydrophobicContact CE2-CB 3.39Å; F262-E452 HydrophobicContact CE2-CG 3.87Å; F262-E452 WeakPolarHBondContact CE2-OE2 3.46Å; F262-E452 HydrophobicContact CG-CG 4.37Å; F262-E452 HydrophobicContact CZ-CB 2.96Å; F262-E452 HydrophobicContact CZ-CG 3.59Å; K263-E452 PolarHBondContact N-OE1 3.46Å; K263-E452 VanDerWaalsContact N-OE1 3.11Å; S448-E452 VanDerWaalsContact O-CG 3.32Å; S448-E452 WeakPolarHBondContact O-CG 3.33Å; S448-E452 PolarHBondContact O-N 3.18Å; H450-E452 PolarHBondContact O-N 3.33Å; E452-S455 PolarHBondContact O-OG 2.55Å; E452-S455 VanDerWaalsContact O-OG 3.04Å
453L60.8Low52.4Low37 Ų3790.2 Ų90.219%0.19448%0.484CS..Hα-helixtrans-84.7-33.2-179.2-75.6167.6000112.5V234 C449 H450 N457V234-L453 HydrophobicContact CB-CD1 4.12Å; V234-L453 HydrophobicContact CG1-CD1 4.43Å; V234-L453 HydrophobicContact CG2-CB 3.84Å; V234-L453 HydrophobicContact CG2-CD1 3.62Å; V234-L453 HydrophobicContact CG2-CG 4.35Å; C449-L453 PolarHBondContact O-N 3.42Å; H450-L453 PolarHBondContact O-N 3.46Å; L453-N457 PolarHBondContact O-N 3.1Å
454E57.2Low51.8Low111 Ų11188.8 Ų88.852%0.51948%0.48SS..Hα-helixtrans-72.4-36.3176-80.5-179.1-173.500112.8H450 R456 N457H450-E454 IonicContact CE1-OE1 2.68Å; H450-E454 PolarHBondContact CE1-OE1 2.95Å; H450-E454 IonicContact ND1-OE1 3.23Å; H450-E454 PolarHBondContact ND1-OE1 2.73Å; H450-E454 WeakPolarHBondContact O-CB 3.49Å; H450-E454 PolarHBondContact O-N 2.72Å; E454-R456 PolarHBondContact O-N 3.11Å; E454-N457 PolarHBondContact O-N 3.19Å
455S48.2Very low51.3Low60 Ų6086.1 Ų86.142%0.4247%0.471SS..Hα-helixtrans-59.5-20.6179.255.10000113.6E451 E452E451-S455 VanDerWaalsContact O-CB 3.23Å; E451-S455 WeakPolarHBondContact O-CB 2.88Å; E451-S455 PolarHBondContact O-N 3.17Å; E451-S455 PolarHBondContact O-OG 2.94Å; E452-S455 PolarHBondContact O-OG 2.55Å; E452-S455 VanDerWaalsContact O-OG 3.04Å
456R51.2Low50.2Low96 Ų9690.8 Ų90.836%0.36250%0.497SS..Hα-helixtrans-102.8-24.1-179.9-64.7-168.5-176.6-175.46.7115.4E454 I458 Q459 G460E454-R456 PolarHBondContact O-N 3.11Å; R456-I458 PolarHBondContact O-N 2.75Å; R456-Q459 PolarHBondContact O-N 3.11Å; R456-G460 PolarHBondContact O-N 3.33Å
457N44.5Very low49.3Very low130 Ų13093.1 Ų93.170%0.69551%0.513SS*.Hα-helixtrans-60.9-24.3169.8-94.5-13.2000111.8L453 E454 Q459L453-N457 PolarHBondContact O-N 3.1Å; E454-N457 PolarHBondContact O-N 3.19Å; N457-Q459 VanDerWaalsContact C-N 3.34Å
458I35.9Very low48.1Very low132 Ų13294.1 Ų94.168%0.67752%0.519SS*.THydrogen-bonded Turntrans-74.7-23.2174.2-57.7175.4000112.1R456R456-I458 PolarHBondContact O-N 2.75Å
459Q32.6Very low47Very low152 Ų15298.3 Ų98.371%0.7154%0.54SS*.THydrogen-bonded Turntrans-90.2-18.1178.3-69.4-170.3-15.300113.8R456 N457R456-Q459 PolarHBondContact O-N 3.11Å; N457-Q459 VanDerWaalsContact C-N 3.34Å
460G32.2Very low45.7Very low55 Ų55105.4 Ų105.457%0.56758%0.578SS**THydrogen-bonded Turntrans-87.8-3-178.100000116.6R456R456-G460 PolarHBondContact O-N 3.33Å
461V32.1Very low44Very low123 Ų123108.6 Ų108.675%0.74560%0.6SS**THydrogen-bonded Turntrans-99.6-4-177.8-175.50000112.6
462N27.9Very low42.6Very low153 Ų153105.2 Ų105.282%0.81859%0.592SS**  trans-115.517.5-174.8-83.4-24.6000115.3
463S27.5Very low40.9Very low172 Ų172111 Ų111100%1.20363%0.628SS**  trans-121.70176.356.60000112.5

Retrieved 463 of 463 residues in 997.5 ms (Link to these results)

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